Program PWSCF v.5.4.0 starts on 10Feb2017 at 15:45:44 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdCu2GeSe4.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 226 64 18 9336 1426 215 Max 227 65 19 9338 1449 217 Sum 8161 2337 655 336137 51849 7767 bravais-lattice index = 14 lattice parameter (alat) = 12.9642 a.u. unit-cell volume = 1232.3163 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.964231 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.648975 celldm(5)= -0.648975 celldm(6)= 0.297950 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.297950 0.954581 0.000000 ) a(3) = ( -0.648975 -0.477291 0.592474 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.312127 0.843920 ) b(2) = ( 0.000000 1.047580 0.843920 ) b(3) = ( 0.000000 0.000000 1.687839 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Cd 12.00 112.41100 Cd( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 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 s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0216390), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0432779), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0649169), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0865559), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.1081948), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1298338), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1514727), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1731117), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1947507), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.2163896), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2380286), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2596676), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.2813065), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.3029455), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.3245845), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.3462234), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.3678624), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.3895013), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.4111403), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.4327793), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.4544182), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.4760572), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.4976962), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.5193351), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.5409741), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.5626130), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.5842520), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.6058910), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.6275299), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.6491689), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.6708079), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.6924468), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.7140858), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.7357248), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.7573637), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.7790027), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.8006416), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.8222806), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.8439196), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.8439196), wk = 0.0036765 k( 42) = ( -0.0122930 0.0167148 0.8439196), wk = 0.0036765 k( 43) = ( -0.0245860 0.0334297 0.8439196), wk = 0.0036765 k( 44) = ( -0.0368789 0.0501445 0.8439196), wk = 0.0036765 k( 45) = ( -0.0491719 0.0668594 0.8439196), wk = 0.0036765 k( 46) = ( -0.0614649 0.0835742 0.8439196), wk = 0.0036765 k( 47) = ( -0.0737579 0.1002890 0.8439196), wk = 0.0036765 k( 48) = ( -0.0860508 0.1170039 0.8439196), wk = 0.0036765 k( 49) = ( -0.0983438 0.1337187 0.8439196), wk = 0.0036765 k( 50) = ( -0.1106368 0.1504336 0.8439196), wk = 0.0036765 k( 51) = ( -0.1229298 0.1671484 0.8439196), wk = 0.0036765 k( 52) = ( -0.1352228 0.1838632 0.8439196), wk = 0.0036765 k( 53) = ( -0.1352228 0.1838632 0.8439196), wk = 0.0036765 k( 54) = ( -0.1443422 0.1962630 0.8285275), wk = 0.0036765 k( 55) = ( -0.1534616 0.2086627 0.8131353), wk = 0.0036765 k( 56) = ( -0.1625811 0.2210625 0.7977432), wk = 0.0036765 k( 57) = ( -0.1717005 0.2334622 0.7823511), wk = 0.0036765 k( 58) = ( -0.1808199 0.2458620 0.7669589), wk = 0.0036765 k( 59) = ( -0.1899394 0.2582617 0.7515668), wk = 0.0036765 k( 60) = ( -0.1990588 0.2706615 0.7361746), wk = 0.0036765 k( 61) = ( -0.2081782 0.2830612 0.7207825), wk = 0.0036765 k( 62) = ( -0.2172977 0.2954610 0.7053904), wk = 0.0036765 k( 63) = ( -0.2264171 0.3078607 0.6899983), wk = 0.0036765 k( 64) = ( -0.2355365 0.3202605 0.6746061), wk = 0.0036765 k( 65) = ( -0.2446559 0.3326602 0.6592140), wk = 0.0036765 k( 66) = ( -0.2537754 0.3450600 0.6438219), wk = 0.0036765 k( 67) = ( -0.2628948 0.3574597 0.6284297), wk = 0.0036765 k( 68) = ( -0.2720142 0.3698594 0.6130376), wk = 0.0036765 k( 69) = ( -0.2811337 0.3822592 0.5976455), wk = 0.0036765 k( 70) = ( -0.2902531 0.3946589 0.5822533), wk = 0.0036765 k( 71) = ( -0.2993725 0.4070587 0.5668612), wk = 0.0036765 k( 72) = ( -0.3084920 0.4194584 0.5514691), wk = 0.0036765 k( 73) = ( -0.3176114 0.4318582 0.5360769), wk = 0.0036765 k( 74) = ( -0.3176114 0.4318582 0.5360769), wk = 0.0036765 k( 75) = ( -0.3085368 0.4195194 0.5207604), wk = 0.0036765 k( 76) = ( -0.2994622 0.4071806 0.5054440), wk = 0.0036765 k( 77) = ( -0.2903875 0.3948418 0.4901275), wk = 0.0036765 k( 78) = ( -0.2813129 0.3825030 0.4748110), wk = 0.0036765 k( 79) = ( -0.2722383 0.3701642 0.4594945), wk = 0.0036765 k( 80) = ( -0.2631637 0.3578254 0.4441780), wk = 0.0036765 k( 81) = ( -0.2540891 0.3454865 0.4288616), wk = 0.0036765 k( 82) = ( -0.2450145 0.3331477 0.4135451), wk = 0.0036765 k( 83) = ( -0.2359399 0.3208089 0.3982286), wk = 0.0036765 k( 84) = ( -0.2268653 0.3084701 0.3829121), wk = 0.0036765 k( 85) = ( -0.2177907 0.2961313 0.3675956), wk = 0.0036765 k( 86) = ( -0.2087160 0.2837925 0.3522791), wk = 0.0036765 k( 87) = ( -0.1996414 0.2714537 0.3369626), wk = 0.0036765 k( 88) = ( -0.1905668 0.2591149 0.3216462), wk = 0.0036765 k( 89) = ( -0.1814922 0.2467761 0.3063297), wk = 0.0036765 k( 90) = ( -0.1724176 0.2344373 0.2910132), wk = 0.0036765 k( 91) = ( -0.1633430 0.2220985 0.2756967), wk = 0.0036765 k( 92) = ( -0.1542684 0.2097597 0.2603802), wk = 0.0036765 k( 93) = ( -0.1451938 0.1974209 0.2450637), wk = 0.0036765 k( 94) = ( -0.1361192 0.1850821 0.2297473), wk = 0.0036765 k( 95) = ( -0.1270446 0.1727433 0.2144308), wk = 0.0036765 k( 96) = ( -0.1179699 0.1604045 0.1991143), wk = 0.0036765 k( 97) = ( -0.1088953 0.1480657 0.1837978), wk = 0.0036765 k( 98) = ( -0.0998207 0.1357269 0.1684813), wk = 0.0036765 k( 99) = ( -0.0907461 0.1233881 0.1531648), wk = 0.0036765 k( 100) = ( -0.0816715 0.1110492 0.1378484), wk = 0.0036765 k( 101) = ( -0.0725969 0.0987104 0.1225319), wk = 0.0036765 k( 102) = ( -0.0635223 0.0863716 0.1072154), wk = 0.0036765 k( 103) = ( -0.0544477 0.0740328 0.0918989), wk = 0.0036765 k( 104) = ( -0.0453731 0.0616940 0.0765824), wk = 0.0036765 k( 105) = ( -0.0362984 0.0493552 0.0612659), wk = 0.0036765 k( 106) = ( -0.0272238 0.0370164 0.0459494), wk = 0.0036765 k( 107) = ( -0.0181492 0.0246776 0.0306330), wk = 0.0036765 k( 108) = ( -0.0090746 0.0123388 0.0153165), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0172414 0.0126802 0.0000000), wk = 0.0036765 k( 112) = ( 0.0344828 0.0253604 0.0000000), wk = 0.0036765 k( 113) = ( 0.0517241 0.0380407 0.0000000), wk = 0.0036765 k( 114) = ( 0.0689655 0.0507209 0.0000000), wk = 0.0036765 k( 115) = ( 0.0862069 0.0634011 0.0000000), wk = 0.0036765 k( 116) = ( 0.1034483 0.0760813 0.0000000), wk = 0.0036765 k( 117) = ( 0.1206897 0.0887616 0.0000000), wk = 0.0036765 k( 118) = ( 0.1379310 0.1014418 0.0000000), wk = 0.0036765 k( 119) = ( 0.1551724 0.1141220 0.0000000), wk = 0.0036765 k( 120) = ( 0.1724138 0.1268022 0.0000000), wk = 0.0036765 k( 121) = ( 0.1896552 0.1394825 0.0000000), wk = 0.0036765 k( 122) = ( 0.2068966 0.1521627 0.0000000), wk = 0.0036765 k( 123) = ( 0.2241379 0.1648429 0.0000000), wk = 0.0036765 k( 124) = ( 0.2413793 0.1775231 0.0000000), wk = 0.0036765 k( 125) = ( 0.2586207 0.1902034 0.0000000), wk = 0.0036765 k( 126) = ( 0.2758621 0.2028836 0.0000000), wk = 0.0036765 k( 127) = ( 0.2931034 0.2155638 0.0000000), wk = 0.0036765 k( 128) = ( 0.3103448 0.2282440 0.0000000), wk = 0.0036765 k( 129) = ( 0.3275862 0.2409243 0.0000000), wk = 0.0036765 k( 130) = ( 0.3448276 0.2536045 0.0000000), wk = 0.0036765 k( 131) = ( 0.3620690 0.2662847 0.0000000), wk = 0.0036765 k( 132) = ( 0.3793103 0.2789649 0.0000000), wk = 0.0036765 k( 133) = ( 0.3965517 0.2916451 0.0000000), wk = 0.0036765 k( 134) = ( 0.4137931 0.3043254 0.0000000), wk = 0.0036765 k( 135) = ( 0.4310345 0.3170056 0.0000000), wk = 0.0036765 k( 136) = ( 0.4482759 0.3296858 0.0000000), wk = 0.0036765 k( 137) = ( 0.4655172 0.3423660 0.0000000), wk = 0.0036765 k( 138) = ( 0.4827586 0.3550463 0.0000000), wk = 0.0036765 k( 139) = ( 0.5000000 0.3677265 0.0000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.3677265 0.0000000), wk = 0.0036765 k( 141) = ( 0.4908806 0.3801262 0.0153921), wk = 0.0036765 k( 142) = ( 0.4817611 0.3925260 0.0307843), wk = 0.0036765 k( 143) = ( 0.4726417 0.4049257 0.0461764), wk = 0.0036765 k( 144) = ( 0.4635223 0.4173255 0.0615685), wk = 0.0036765 k( 145) = ( 0.4544029 0.4297252 0.0769607), wk = 0.0036765 k( 146) = ( 0.4452834 0.4421250 0.0923528), wk = 0.0036765 k( 147) = ( 0.4361640 0.4545247 0.1077449), wk = 0.0036765 k( 148) = ( 0.4270446 0.4669245 0.1231371), wk = 0.0036765 k( 149) = ( 0.4179251 0.4793242 0.1385292), wk = 0.0036765 k( 150) = ( 0.4088057 0.4917240 0.1539213), wk = 0.0036765 k( 151) = ( 0.3996863 0.5041237 0.1693135), wk = 0.0036765 k( 152) = ( 0.3905668 0.5165235 0.1847056), wk = 0.0036765 k( 153) = ( 0.3814474 0.5289232 0.2000977), wk = 0.0036765 k( 154) = ( 0.3723280 0.5413229 0.2154899), wk = 0.0036765 k( 155) = ( 0.3632085 0.5537227 0.2308820), wk = 0.0036765 k( 156) = ( 0.3540891 0.5661224 0.2462741), wk = 0.0036765 k( 157) = ( 0.3449697 0.5785222 0.2616662), wk = 0.0036765 k( 158) = ( 0.3358503 0.5909219 0.2770584), wk = 0.0036765 k( 159) = ( 0.3267308 0.6033217 0.2924505), wk = 0.0036765 k( 160) = ( 0.3176114 0.6157214 0.3078426), wk = 0.0036765 k( 161) = ( 0.3176114 0.6157214 0.3078426), wk = 0.0036765 k( 162) = ( 0.2989284 0.6103137 0.3145554), wk = 0.0036765 k( 163) = ( 0.2802453 0.6049059 0.3212682), wk = 0.0036765 k( 164) = ( 0.2615623 0.5994982 0.3279810), wk = 0.0036765 k( 165) = ( 0.2428793 0.5940905 0.3346937), wk = 0.0036765 k( 166) = ( 0.2241963 0.5886827 0.3414065), wk = 0.0036765 k( 167) = ( 0.2055133 0.5832750 0.3481193), wk = 0.0036765 k( 168) = ( 0.1868302 0.5778672 0.3548321), wk = 0.0036765 k( 169) = ( 0.1681472 0.5724595 0.3615448), wk = 0.0036765 k( 170) = ( 0.1494642 0.5670517 0.3682576), wk = 0.0036765 k( 171) = ( 0.1307812 0.5616440 0.3749704), wk = 0.0036765 k( 172) = ( 0.1120981 0.5562363 0.3816831), wk = 0.0036765 k( 173) = ( 0.0934151 0.5508285 0.3883959), wk = 0.0036765 k( 174) = ( 0.0747321 0.5454208 0.3951087), wk = 0.0036765 k( 175) = ( 0.0560491 0.5400130 0.4018215), wk = 0.0036765 k( 176) = ( 0.0373660 0.5346053 0.4085342), wk = 0.0036765 k( 177) = ( 0.0186830 0.5291975 0.4152470), wk = 0.0036765 k( 178) = ( 0.0000000 0.5237898 0.4219598), wk = 0.0036765 k( 179) = ( 0.0000000 0.5237898 0.4219598), wk = 0.0036765 k( 180) = ( 0.0089286 0.5116496 0.4370298), wk = 0.0036765 k( 181) = ( 0.0178571 0.4995093 0.4520998), wk = 0.0036765 k( 182) = ( 0.0267857 0.4873691 0.4671698), wk = 0.0036765 k( 183) = ( 0.0357143 0.4752289 0.4822398), wk = 0.0036765 k( 184) = ( 0.0446429 0.4630886 0.4973098), wk = 0.0036765 k( 185) = ( 0.0535714 0.4509484 0.5123797), wk = 0.0036765 k( 186) = ( 0.0625000 0.4388082 0.5274497), wk = 0.0036765 k( 187) = ( 0.0714286 0.4266679 0.5425197), wk = 0.0036765 k( 188) = ( 0.0803571 0.4145277 0.5575897), wk = 0.0036765 k( 189) = ( 0.0892857 0.4023875 0.5726597), wk = 0.0036765 k( 190) = ( 0.0982143 0.3902472 0.5877297), wk = 0.0036765 k( 191) = ( 0.1071429 0.3781070 0.6027997), wk = 0.0036765 k( 192) = ( 0.1160714 0.3659668 0.6178697), wk = 0.0036765 k( 193) = ( 0.1250000 0.3538265 0.6329397), wk = 0.0036765 k( 194) = ( 0.1339286 0.3416863 0.6480097), wk = 0.0036765 k( 195) = ( 0.1428571 0.3295461 0.6630797), wk = 0.0036765 k( 196) = ( 0.1517857 0.3174058 0.6781497), wk = 0.0036765 k( 197) = ( 0.1607143 0.3052656 0.6932197), wk = 0.0036765 k( 198) = ( 0.1696429 0.2931253 0.7082897), wk = 0.0036765 k( 199) = ( 0.1785714 0.2809851 0.7233596), wk = 0.0036765 k( 200) = ( 0.1875000 0.2688449 0.7384296), wk = 0.0036765 k( 201) = ( 0.1964286 0.2567047 0.7534996), wk = 0.0036765 k( 202) = ( 0.2053571 0.2445644 0.7685696), wk = 0.0036765 k( 203) = ( 0.2142857 0.2324242 0.7836396), wk = 0.0036765 k( 204) = ( 0.2232143 0.2202839 0.7987096), wk = 0.0036765 k( 205) = ( 0.2321429 0.2081437 0.8137796), wk = 0.0036765 k( 206) = ( 0.2410714 0.1960035 0.8288496), wk = 0.0036765 k( 207) = ( 0.2500000 0.1838632 0.8439196), wk = 0.0036765 k( 208) = ( 0.2500000 0.1838632 0.8439196), wk = 0.0036765 k( 209) = ( 0.2638889 0.1940779 0.8312399), wk = 0.0036765 k( 210) = ( 0.2777778 0.2042925 0.8185602), wk = 0.0036765 k( 211) = ( 0.2916667 0.2145071 0.8058805), wk = 0.0036765 k( 212) = ( 0.3055556 0.2247217 0.7932009), wk = 0.0036765 k( 213) = ( 0.3194444 0.2349364 0.7805212), wk = 0.0036765 k( 214) = ( 0.3333333 0.2451510 0.7678415), wk = 0.0036765 k( 215) = ( 0.3472222 0.2553656 0.7551618), wk = 0.0036765 k( 216) = ( 0.3611111 0.2655802 0.7424821), wk = 0.0036765 k( 217) = ( 0.3750000 0.2757949 0.7298024), wk = 0.0036765 k( 218) = ( 0.3888889 0.2860095 0.7171228), wk = 0.0036765 k( 219) = ( 0.4027778 0.2962241 0.7044431), wk = 0.0036765 k( 220) = ( 0.4166667 0.3064387 0.6917634), wk = 0.0036765 k( 221) = ( 0.4305556 0.3166534 0.6790837), wk = 0.0036765 k( 222) = ( 0.4444444 0.3268680 0.6664040), wk = 0.0036765 k( 223) = ( 0.4583333 0.3370826 0.6537243), wk = 0.0036765 k( 224) = ( 0.4722222 0.3472972 0.6410447), wk = 0.0036765 k( 225) = ( 0.4861111 0.3575119 0.6283650), wk = 0.0036765 k( 226) = ( 0.5000000 0.3677265 0.6156853), wk = 0.0036765 k( 227) = ( 0.5000000 0.3677265 0.6156853), wk = 0.0036765 k( 228) = ( 0.5000000 0.3677265 0.5944548), wk = 0.0036765 k( 229) = ( 0.5000000 0.3677265 0.5732242), wk = 0.0036765 k( 230) = ( 0.5000000 0.3677265 0.5519937), wk = 0.0036765 k( 231) = ( 0.5000000 0.3677265 0.5307632), wk = 0.0036765 k( 232) = ( 0.5000000 0.3677265 0.5095327), wk = 0.0036765 k( 233) = ( 0.5000000 0.3677265 0.4883021), wk = 0.0036765 k( 234) = ( 0.5000000 0.3677265 0.4670716), wk = 0.0036765 k( 235) = ( 0.5000000 0.3677265 0.4458411), wk = 0.0036765 k( 236) = ( 0.5000000 0.3677265 0.4246105), wk = 0.0036765 k( 237) = ( 0.5000000 0.3677265 0.4033800), wk = 0.0036765 k( 238) = ( 0.5000000 0.3677265 0.3821495), wk = 0.0036765 k( 239) = ( 0.5000000 0.3677265 0.3609190), wk = 0.0036765 k( 240) = ( 0.5000000 0.3677265 0.3396884), wk = 0.0036765 k( 241) = ( 0.5000000 0.3677265 0.3184579), wk = 0.0036765 k( 242) = ( 0.5000000 0.3677265 0.2972274), wk = 0.0036765 k( 243) = ( 0.5000000 0.3677265 0.2759969), wk = 0.0036765 k( 244) = ( 0.5000000 0.3677265 0.2547663), wk = 0.0036765 k( 245) = ( 0.5000000 0.3677265 0.2335358), wk = 0.0036765 k( 246) = ( 0.5000000 0.3677265 0.2123053), wk = 0.0036765 k( 247) = ( 0.5000000 0.3677265 0.1910748), wk = 0.0036765 k( 248) = ( 0.5000000 0.3677265 0.1698442), wk = 0.0036765 k( 249) = ( 0.5000000 0.3677265 0.1486137), wk = 0.0036765 k( 250) = ( 0.5000000 0.3677265 0.1273832), wk = 0.0036765 k( 251) = ( 0.5000000 0.3677265 0.1061526), wk = 0.0036765 k( 252) = ( 0.5000000 0.3677265 0.0849221), wk = 0.0036765 k( 253) = ( 0.5000000 0.3677265 0.0636916), wk = 0.0036765 k( 254) = ( 0.5000000 0.3677265 0.0424611), wk = 0.0036765 k( 255) = ( 0.5000000 0.3677265 0.0212305), wk = 0.0036765 k( 256) = ( 0.5000000 0.3677265 0.0000000), wk = 0.0036765 k( 257) = ( 0.0000000 0.0000000 0.8439196), wk = 0.0036765 k( 258) = ( 0.0166667 0.0122576 0.8439196), wk = 0.0036765 k( 259) = ( 0.0333333 0.0245151 0.8439196), wk = 0.0036765 k( 260) = ( 0.0500000 0.0367726 0.8439196), wk = 0.0036765 k( 261) = ( 0.0666667 0.0490302 0.8439196), wk = 0.0036765 k( 262) = ( 0.0833333 0.0612877 0.8439196), wk = 0.0036765 k( 263) = ( 0.1000000 0.0735453 0.8439196), wk = 0.0036765 k( 264) = ( 0.1166667 0.0858028 0.8439196), wk = 0.0036765 k( 265) = ( 0.1333333 0.0980604 0.8439196), wk = 0.0036765 k( 266) = ( 0.1500000 0.1103179 0.8439196), wk = 0.0036765 k( 267) = ( 0.1666667 0.1225755 0.8439196), wk = 0.0036765 k( 268) = ( 0.1833333 0.1348330 0.8439196), wk = 0.0036765 k( 269) = ( 0.2000000 0.1470906 0.8439196), wk = 0.0036765 k( 270) = ( 0.2166667 0.1593481 0.8439196), wk = 0.0036765 k( 271) = ( 0.2333333 0.1716057 0.8439196), wk = 0.0036765 k( 272) = ( 0.2500000 0.1838632 0.8439196), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 42) = ( -0.0122930 0.0122930 0.5000000), wk = 0.0036765 k( 43) = ( -0.0245860 0.0245860 0.5000000), wk = 0.0036765 k( 44) = ( -0.0368789 0.0368789 0.5000000), wk = 0.0036765 k( 45) = ( -0.0491719 0.0491719 0.5000000), wk = 0.0036765 k( 46) = ( -0.0614649 0.0614649 0.5000000), wk = 0.0036765 k( 47) = ( -0.0737579 0.0737579 0.5000000), wk = 0.0036765 k( 48) = ( -0.0860508 0.0860508 0.5000000), wk = 0.0036765 k( 49) = ( -0.0983438 0.0983438 0.5000000), wk = 0.0036765 k( 50) = ( -0.1106368 0.1106368 0.5000000), wk = 0.0036765 k( 51) = ( -0.1229298 0.1229298 0.5000000), wk = 0.0036765 k( 52) = ( -0.1352228 0.1352228 0.5000000), wk = 0.0036765 k( 53) = ( -0.1352228 0.1352228 0.5000000), wk = 0.0036765 k( 54) = ( -0.1443422 0.1443422 0.4908806), wk = 0.0036765 k( 55) = ( -0.1534616 0.1534616 0.4817611), wk = 0.0036765 k( 56) = ( -0.1625811 0.1625811 0.4726417), wk = 0.0036765 k( 57) = ( -0.1717005 0.1717005 0.4635223), wk = 0.0036765 k( 58) = ( -0.1808199 0.1808199 0.4544028), wk = 0.0036765 k( 59) = ( -0.1899394 0.1899394 0.4452834), wk = 0.0036765 k( 60) = ( -0.1990588 0.1990588 0.4361640), wk = 0.0036765 k( 61) = ( -0.2081782 0.2081782 0.4270445), wk = 0.0036765 k( 62) = ( -0.2172977 0.2172977 0.4179251), wk = 0.0036765 k( 63) = ( -0.2264171 0.2264171 0.4088057), wk = 0.0036765 k( 64) = ( -0.2355365 0.2355365 0.3996863), wk = 0.0036765 k( 65) = ( -0.2446559 0.2446559 0.3905668), wk = 0.0036765 k( 66) = ( -0.2537754 0.2537754 0.3814474), wk = 0.0036765 k( 67) = ( -0.2628948 0.2628948 0.3723280), wk = 0.0036765 k( 68) = ( -0.2720142 0.2720142 0.3632085), wk = 0.0036765 k( 69) = ( -0.2811337 0.2811337 0.3540891), wk = 0.0036765 k( 70) = ( -0.2902531 0.2902531 0.3449697), wk = 0.0036765 k( 71) = ( -0.2993725 0.2993725 0.3358502), wk = 0.0036765 k( 72) = ( -0.3084920 0.3084920 0.3267308), wk = 0.0036765 k( 73) = ( -0.3176114 0.3176114 0.3176114), wk = 0.0036765 k( 74) = ( -0.3176114 0.3176114 0.3176114), wk = 0.0036765 k( 75) = ( -0.3085368 0.3085368 0.3085368), wk = 0.0036765 k( 76) = ( -0.2994622 0.2994622 0.2994622), wk = 0.0036765 k( 77) = ( -0.2903875 0.2903875 0.2903875), wk = 0.0036765 k( 78) = ( -0.2813129 0.2813129 0.2813129), wk = 0.0036765 k( 79) = ( -0.2722383 0.2722383 0.2722383), wk = 0.0036765 k( 80) = ( -0.2631637 0.2631637 0.2631637), wk = 0.0036765 k( 81) = ( -0.2540891 0.2540891 0.2540891), wk = 0.0036765 k( 82) = ( -0.2450145 0.2450145 0.2450145), wk = 0.0036765 k( 83) = ( -0.2359399 0.2359399 0.2359399), wk = 0.0036765 k( 84) = ( -0.2268653 0.2268653 0.2268653), wk = 0.0036765 k( 85) = ( -0.2177907 0.2177907 0.2177907), wk = 0.0036765 k( 86) = ( -0.2087160 0.2087160 0.2087161), wk = 0.0036765 k( 87) = ( -0.1996414 0.1996414 0.1996414), wk = 0.0036765 k( 88) = ( -0.1905668 0.1905668 0.1905668), wk = 0.0036765 k( 89) = ( -0.1814922 0.1814922 0.1814922), wk = 0.0036765 k( 90) = ( -0.1724176 0.1724176 0.1724176), wk = 0.0036765 k( 91) = ( -0.1633430 0.1633430 0.1633430), wk = 0.0036765 k( 92) = ( -0.1542684 0.1542684 0.1542684), wk = 0.0036765 k( 93) = ( -0.1451938 0.1451938 0.1451938), wk = 0.0036765 k( 94) = ( -0.1361192 0.1361192 0.1361192), wk = 0.0036765 k( 95) = ( -0.1270446 0.1270446 0.1270446), wk = 0.0036765 k( 96) = ( -0.1179699 0.1179699 0.1179699), wk = 0.0036765 k( 97) = ( -0.1088953 0.1088953 0.1088953), wk = 0.0036765 k( 98) = ( -0.0998207 0.0998207 0.0998207), wk = 0.0036765 k( 99) = ( -0.0907461 0.0907461 0.0907461), wk = 0.0036765 k( 100) = ( -0.0816715 0.0816715 0.0816715), wk = 0.0036765 k( 101) = ( -0.0725969 0.0725969 0.0725969), wk = 0.0036765 k( 102) = ( -0.0635223 0.0635223 0.0635223), wk = 0.0036765 k( 103) = ( -0.0544477 0.0544477 0.0544477), wk = 0.0036765 k( 104) = ( -0.0453731 0.0453731 0.0453731), wk = 0.0036765 k( 105) = ( -0.0362984 0.0362984 0.0362984), wk = 0.0036765 k( 106) = ( -0.0272238 0.0272238 0.0272238), wk = 0.0036765 k( 107) = ( -0.0181492 0.0181492 0.0181492), wk = 0.0036765 k( 108) = ( -0.0090746 0.0090746 0.0090746), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0036765 k( 112) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0036765 k( 113) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0036765 k( 114) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0036765 k( 115) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0036765 k( 116) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0036765 k( 117) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0036765 k( 118) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0036765 k( 119) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0036765 k( 120) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0036765 k( 121) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0036765 k( 122) = ( 0.2068966 0.2068966 -0.2068965), wk = 0.0036765 k( 123) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0036765 k( 124) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0036765 k( 125) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0036765 k( 126) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0036765 k( 127) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0036765 k( 128) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0036765 k( 129) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0036765 k( 130) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0036765 k( 131) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0036765 k( 132) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0036765 k( 133) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0036765 k( 134) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0036765 k( 135) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0036765 k( 136) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0036765 k( 137) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0036765 k( 138) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0036765 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 141) = ( 0.4908806 0.5091194 -0.4908806), wk = 0.0036765 k( 142) = ( 0.4817611 0.5182389 -0.4817611), wk = 0.0036765 k( 143) = ( 0.4726417 0.5273583 -0.4726417), wk = 0.0036765 k( 144) = ( 0.4635223 0.5364777 -0.4635223), wk = 0.0036765 k( 145) = ( 0.4544029 0.5455971 -0.4544028), wk = 0.0036765 k( 146) = ( 0.4452834 0.5547166 -0.4452834), wk = 0.0036765 k( 147) = ( 0.4361640 0.5638360 -0.4361640), wk = 0.0036765 k( 148) = ( 0.4270446 0.5729555 -0.4270445), wk = 0.0036765 k( 149) = ( 0.4179251 0.5820749 -0.4179251), wk = 0.0036765 k( 150) = ( 0.4088057 0.5911943 -0.4088057), wk = 0.0036765 k( 151) = ( 0.3996863 0.6003137 -0.3996863), wk = 0.0036765 k( 152) = ( 0.3905668 0.6094332 -0.3905668), wk = 0.0036765 k( 153) = ( 0.3814474 0.6185526 -0.3814474), wk = 0.0036765 k( 154) = ( 0.3723280 0.6276720 -0.3723280), wk = 0.0036765 k( 155) = ( 0.3632085 0.6367915 -0.3632085), wk = 0.0036765 k( 156) = ( 0.3540891 0.6459109 -0.3540891), wk = 0.0036765 k( 157) = ( 0.3449697 0.6550303 -0.3449697), wk = 0.0036765 k( 158) = ( 0.3358503 0.6641497 -0.3358503), wk = 0.0036765 k( 159) = ( 0.3267308 0.6732692 -0.3267308), wk = 0.0036765 k( 160) = ( 0.3176114 0.6823886 -0.3176114), wk = 0.0036765 k( 161) = ( 0.3176114 0.6823886 -0.3176114), wk = 0.0036765 k( 162) = ( 0.2989284 0.6716599 -0.2989284), wk = 0.0036765 k( 163) = ( 0.2802453 0.6609311 -0.2802453), wk = 0.0036765 k( 164) = ( 0.2615623 0.6502024 -0.2615623), wk = 0.0036765 k( 165) = ( 0.2428793 0.6394737 -0.2428793), wk = 0.0036765 k( 166) = ( 0.2241963 0.6287449 -0.2241963), wk = 0.0036765 k( 167) = ( 0.2055133 0.6180162 -0.2055133), wk = 0.0036765 k( 168) = ( 0.1868302 0.6072874 -0.1868302), wk = 0.0036765 k( 169) = ( 0.1681472 0.5965587 -0.1681472), wk = 0.0036765 k( 170) = ( 0.1494642 0.5858299 -0.1494642), wk = 0.0036765 k( 171) = ( 0.1307812 0.5751012 -0.1307812), wk = 0.0036765 k( 172) = ( 0.1120981 0.5643725 -0.1120981), wk = 0.0036765 k( 173) = ( 0.0934151 0.5536437 -0.0934151), wk = 0.0036765 k( 174) = ( 0.0747321 0.5429150 -0.0747321), wk = 0.0036765 k( 175) = ( 0.0560491 0.5321862 -0.0560491), wk = 0.0036765 k( 176) = ( 0.0373660 0.5214575 -0.0373660), wk = 0.0036765 k( 177) = ( 0.0186830 0.5107287 -0.0186830), wk = 0.0036765 k( 178) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 179) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 180) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036765 k( 181) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036765 k( 182) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036765 k( 183) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036765 k( 184) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036765 k( 185) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036765 k( 186) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036765 k( 187) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036765 k( 188) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036765 k( 189) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036765 k( 190) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036765 k( 191) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036765 k( 192) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036765 k( 193) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036765 k( 194) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036765 k( 195) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036765 k( 196) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036765 k( 197) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036765 k( 198) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036765 k( 199) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036765 k( 200) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036765 k( 201) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036765 k( 202) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036765 k( 203) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036765 k( 204) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036765 k( 205) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036765 k( 206) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036765 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 209) = ( 0.2638889 0.2638889 0.2285987), wk = 0.0036765 k( 210) = ( 0.2777778 0.2777778 0.2071975), wk = 0.0036765 k( 211) = ( 0.2916667 0.2916667 0.1857962), wk = 0.0036765 k( 212) = ( 0.3055556 0.3055556 0.1643949), wk = 0.0036765 k( 213) = ( 0.3194444 0.3194444 0.1429937), wk = 0.0036765 k( 214) = ( 0.3333333 0.3333333 0.1215924), wk = 0.0036765 k( 215) = ( 0.3472222 0.3472222 0.1001911), wk = 0.0036765 k( 216) = ( 0.3611111 0.3611111 0.0787899), wk = 0.0036765 k( 217) = ( 0.3750000 0.3750000 0.0573886), wk = 0.0036765 k( 218) = ( 0.3888889 0.3888889 0.0359874), wk = 0.0036765 k( 219) = ( 0.4027778 0.4027778 0.0145861), wk = 0.0036765 k( 220) = ( 0.4166667 0.4166667 -0.0068152), wk = 0.0036765 k( 221) = ( 0.4305556 0.4305556 -0.0282165), wk = 0.0036765 k( 222) = ( 0.4444444 0.4444444 -0.0496177), wk = 0.0036765 k( 223) = ( 0.4583333 0.4583333 -0.0710190), wk = 0.0036765 k( 224) = ( 0.4722222 0.4722222 -0.0924202), wk = 0.0036765 k( 225) = ( 0.4861111 0.4861111 -0.1138215), wk = 0.0036765 k( 226) = ( 0.5000000 0.5000000 -0.1352228), wk = 0.0036765 k( 227) = ( 0.5000000 0.5000000 -0.1352228), wk = 0.0036765 k( 228) = ( 0.5000000 0.5000000 -0.1478013), wk = 0.0036765 k( 229) = ( 0.5000000 0.5000000 -0.1603798), wk = 0.0036765 k( 230) = ( 0.5000000 0.5000000 -0.1729583), wk = 0.0036765 k( 231) = ( 0.5000000 0.5000000 -0.1855369), wk = 0.0036765 k( 232) = ( 0.5000000 0.5000000 -0.1981154), wk = 0.0036765 k( 233) = ( 0.5000000 0.5000000 -0.2106939), wk = 0.0036765 k( 234) = ( 0.5000000 0.5000000 -0.2232724), wk = 0.0036765 k( 235) = ( 0.5000000 0.5000000 -0.2358510), wk = 0.0036765 k( 236) = ( 0.5000000 0.5000000 -0.2484295), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 -0.2610080), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 -0.2735865), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 -0.2861651), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 -0.2987436), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 -0.3113221), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 -0.3239006), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 -0.3364792), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 -0.3490577), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 -0.3616362), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 -0.3742147), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 -0.3867933), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 -0.3993718), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 -0.4119503), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 -0.4245288), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 -0.4371074), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 -0.4496859), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 -0.4622644), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 -0.4748429), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 -0.4874215), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 258) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036765 k( 259) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036765 k( 260) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036765 k( 261) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036765 k( 262) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036765 k( 263) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036765 k( 264) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036765 k( 265) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036765 k( 266) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036765 k( 267) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036765 k( 268) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036765 k( 269) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036765 k( 270) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036765 k( 271) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036765 k( 272) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 Dense grid: 336137 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 51849 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 372, 74) NL pseudopotentials 0.49 Mb ( 186, 172) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.07 Mb ( 9338) G-vector shells 0.03 Mb ( 4148) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.68 Mb ( 372, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.39 Mb ( 172, 2, 74) The potential is recalculated from file : ./CdCu2GeSe4.save/charge-density.dat Starting wfc are 94 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 9.0 secs Computing kpt #: 5 total cpu time spent up to now is 10.0 secs Computing kpt #: 6 total cpu time spent up to now is 11.2 secs Computing kpt #: 7 total cpu time spent up to now is 12.3 secs Computing kpt #: 8 total cpu time spent up to now is 13.4 secs Computing kpt #: 9 total cpu time spent up to now is 14.6 secs Computing kpt #: 10 total cpu time spent up to now is 15.7 secs Computing kpt #: 11 total cpu time spent up to now is 16.8 secs Computing kpt #: 12 total cpu time spent up to now is 18.0 secs Computing kpt #: 13 total cpu time spent up to now is 19.1 secs Computing kpt #: 14 total cpu time spent up to now is 20.3 secs Computing kpt #: 15 total cpu time spent up to now is 21.4 secs Computing kpt #: 16 total cpu time spent up to now is 22.6 secs Computing kpt #: 17 total cpu time spent up to now is 23.7 secs Computing kpt #: 18 total cpu time spent up to now is 24.8 secs Computing kpt #: 19 total cpu time spent up to now is 26.0 secs Computing kpt #: 20 total cpu time spent up to now is 27.1 secs Computing kpt #: 21 total cpu time spent up to now is 28.3 secs Computing kpt #: 22 total cpu time spent up to now is 29.5 secs Computing kpt #: 23 total cpu time spent up to now is 30.6 secs Computing kpt #: 24 total cpu time spent up to now is 31.7 secs Computing kpt #: 25 total cpu time spent up to now is 32.9 secs Computing kpt #: 26 total cpu time spent up to now is 34.1 secs Computing kpt #: 27 total cpu time spent up to now is 35.3 secs Computing kpt #: 28 total cpu time spent up to now is 36.5 secs Computing kpt #: 29 total cpu time spent up to now is 37.9 secs Computing kpt #: 30 total cpu time spent up to now is 39.3 secs Computing kpt #: 31 total cpu time spent up to now is 40.7 secs Computing kpt #: 32 total cpu time spent up to now is 42.1 secs Computing kpt #: 33 total cpu time spent up to now is 43.5 secs Computing kpt #: 34 total cpu time spent up to now is 44.9 secs Computing kpt #: 35 total cpu time spent up to now is 46.1 secs Computing kpt #: 36 total cpu time spent up to now is 47.5 secs Computing kpt #: 37 total cpu time spent up to now is 48.9 secs Computing kpt #: 38 total cpu time spent up to now is 50.4 secs Computing kpt #: 39 total cpu time spent up to now is 51.7 secs Computing kpt #: 40 total cpu time spent up to now is 53.2 secs Computing kpt #: 41 total cpu time spent up to now is 54.6 secs Computing kpt #: 42 total cpu time spent up to now is 56.0 secs Computing kpt #: 43 total cpu time spent up to now is 57.4 secs Computing kpt #: 44 total cpu time spent up to now is 58.8 secs Computing kpt #: 45 total cpu time spent up to now is 60.2 secs Computing kpt #: 46 total cpu time spent up to now is 61.6 secs Computing kpt #: 47 total cpu time spent up to now is 62.9 secs Computing kpt #: 48 total cpu time spent up to now is 64.4 secs Computing kpt #: 49 total cpu time spent up to now is 65.8 secs Computing kpt #: 50 total cpu time spent up to now is 67.2 secs Computing kpt #: 51 total cpu time spent up to now is 68.6 secs Computing kpt #: 52 total cpu time spent up to now is 70.0 secs Computing kpt #: 53 total cpu time spent up to now is 71.4 secs Computing kpt #: 54 total cpu time spent up to now is 72.8 secs Computing kpt #: 55 total cpu time spent up to now is 74.2 secs Computing kpt #: 56 total cpu time spent up to now is 75.5 secs Computing kpt #: 57 total cpu time spent up to now is 76.9 secs Computing kpt #: 58 total cpu time spent up to now is 78.3 secs Computing kpt #: 59 total cpu time spent up to now is 79.7 secs Computing kpt #: 60 total cpu time spent up to now is 81.0 secs Computing kpt #: 61 total cpu time spent up to now is 82.4 secs Computing kpt #: 62 total cpu time spent up to now is 83.8 secs Computing kpt #: 63 total cpu time spent up to now is 85.2 secs Computing kpt #: 64 total cpu time spent up to now is 86.6 secs Computing kpt #: 65 total cpu time spent up to now is 88.0 secs Computing kpt #: 66 total cpu time spent up to now is 89.2 secs Computing kpt #: 67 total cpu time spent up to now is 90.5 secs Computing kpt #: 68 total cpu time spent up to now is 91.8 secs Computing kpt #: 69 total cpu time spent up to now is 93.0 secs Computing kpt #: 70 total cpu time spent up to now is 94.4 secs Computing kpt #: 71 total cpu time spent up to now is 95.8 secs Computing kpt #: 72 total cpu time spent up to now is 97.1 secs Computing kpt #: 73 total cpu time spent up to now is 98.4 secs Computing kpt #: 74 total cpu time spent up to now is 99.6 secs Computing kpt #: 75 total cpu time spent up to now is 101.0 secs Computing kpt #: 76 total cpu time spent up to now is 102.4 secs Computing kpt #: 77 total cpu time spent up to now is 103.8 secs Computing kpt #: 78 total cpu time spent up to now is 105.2 secs Computing kpt #: 79 total cpu time spent up to now is 106.5 secs Computing kpt #: 80 total cpu time spent up to now is 107.9 secs Computing kpt #: 81 total cpu time spent up to now is 109.4 secs Computing kpt #: 82 total cpu time spent up to now is 110.8 secs Computing kpt #: 83 total cpu time spent up to now is 112.2 secs Computing kpt #: 84 total cpu time spent up to now is 113.4 secs Computing kpt #: 85 total cpu time spent up to now is 114.6 secs Computing kpt #: 86 total cpu time spent up to now is 115.8 secs Computing kpt #: 87 total cpu time spent up to now is 117.0 secs Computing kpt #: 88 total cpu time spent up to now is 118.2 secs Computing kpt #: 89 total cpu time spent up to now is 119.4 secs Computing kpt #: 90 total cpu time spent up to now is 120.6 secs Computing kpt #: 91 total cpu time spent up to now is 121.7 secs Computing kpt #: 92 total cpu time spent up to now is 122.9 secs Computing kpt #: 93 total cpu time spent up to now is 124.1 secs Computing kpt #: 94 total cpu time spent up to now is 125.2 secs Computing kpt #: 95 total cpu time spent up to now is 126.4 secs Computing kpt #: 96 total cpu time spent up to now is 127.5 secs Computing kpt #: 97 total cpu time spent up to now is 128.7 secs Computing kpt #: 98 total cpu time spent up to now is 129.8 secs Computing kpt #: 99 total cpu time spent up to now is 130.9 secs Computing kpt #: 100 total cpu time spent up to now is 132.1 secs Computing kpt #: 101 total cpu time spent up to now is 133.2 secs Computing kpt #: 102 total cpu time spent up to now is 134.3 secs Computing kpt #: 103 total cpu time spent up to now is 135.4 secs Computing kpt #: 104 total cpu time spent up to now is 136.5 secs Computing kpt #: 105 total cpu time spent up to now is 137.6 secs Computing kpt #: 106 total cpu time spent up to now is 138.7 secs Computing kpt #: 107 total cpu time spent up to now is 139.8 secs Computing kpt #: 108 total cpu time spent up to now is 140.9 secs Computing kpt #: 109 total cpu time spent up to now is 141.9 secs Computing kpt #: 110 total cpu time spent up to now is 143.0 secs Computing kpt #: 111 total cpu time spent up to now is 144.1 secs Computing kpt #: 112 total cpu time spent up to now is 145.3 secs Computing kpt #: 113 total cpu time spent up to now is 146.4 secs Computing kpt #: 114 total cpu time spent up to now is 147.5 secs Computing kpt #: 115 total cpu time spent up to now is 148.7 secs Computing kpt #: 116 total cpu time spent up to now is 149.8 secs Computing kpt #: 117 total cpu time spent up to now is 150.9 secs Computing kpt #: 118 total cpu time spent up to now is 152.1 secs Computing kpt #: 119 total cpu time spent up to now is 153.2 secs Computing kpt #: 120 total cpu time spent up to now is 154.3 secs Computing kpt #: 121 total cpu time spent up to now is 155.5 secs Computing kpt #: 122 total cpu time spent up to now is 156.7 secs Computing kpt #: 123 total cpu time spent up to now is 157.8 secs Computing kpt #: 124 total cpu time spent up to now is 158.9 secs Computing kpt #: 125 total cpu time spent up to now is 160.1 secs Computing kpt #: 126 total cpu time spent up to now is 161.3 secs Computing kpt #: 127 total cpu time spent up to now is 162.4 secs Computing kpt #: 128 total cpu time spent up to now is 163.5 secs Computing kpt #: 129 total cpu time spent up to now is 164.7 secs Computing kpt #: 130 total cpu time spent up to now is 165.8 secs Computing kpt #: 131 total cpu time spent up to now is 166.9 secs Computing kpt #: 132 total cpu time spent up to now is 168.0 secs Computing kpt #: 133 total cpu time spent up to now is 169.2 secs Computing kpt #: 134 total cpu time spent up to now is 170.4 secs Computing kpt #: 135 total cpu time spent up to now is 171.8 secs Computing kpt #: 136 total cpu time spent up to now is 173.0 secs Computing kpt #: 137 total cpu time spent up to now is 174.2 secs Computing kpt #: 138 total cpu time spent up to now is 175.4 secs Computing kpt #: 139 total cpu time spent up to now is 176.6 secs Computing kpt #: 140 total cpu time spent up to now is 178.0 secs Computing kpt #: 141 total cpu time spent up to now is 179.4 secs Computing kpt #: 142 total cpu time spent up to now is 180.6 secs Computing kpt #: 143 total cpu time spent up to now is 181.8 secs Computing kpt #: 144 total cpu time spent up to now is 183.0 secs Computing kpt #: 145 total cpu time spent up to now is 184.3 secs Computing kpt #: 146 total cpu time spent up to now is 185.6 secs Computing kpt #: 147 total cpu time spent up to now is 186.8 secs Computing kpt #: 148 total cpu time spent up to now is 188.2 secs Computing kpt #: 149 total cpu time spent up to now is 189.6 secs Computing kpt #: 150 total cpu time spent up to now is 191.0 secs Computing kpt #: 151 total cpu time spent up to now is 192.4 secs Computing kpt #: 152 total cpu time spent up to now is 193.8 secs Computing kpt #: 153 total cpu time spent up to now is 195.2 secs Computing kpt #: 154 total cpu time spent up to now is 196.6 secs Computing kpt #: 155 total cpu time spent up to now is 198.0 secs Computing kpt #: 156 total cpu time spent up to now is 199.4 secs Computing kpt #: 157 total cpu time spent up to now is 200.8 secs Computing kpt #: 158 total cpu time spent up to now is 202.2 secs Computing kpt #: 159 total cpu time spent up to now is 203.4 secs Computing kpt #: 160 total cpu time spent up to now is 204.8 secs Computing kpt #: 161 total cpu time spent up to now is 206.0 secs Computing kpt #: 162 total cpu time spent up to now is 207.4 secs Computing kpt #: 163 total cpu time spent up to now is 208.8 secs Computing kpt #: 164 total cpu time spent up to now is 210.3 secs Computing kpt #: 165 total cpu time spent up to now is 212.0 secs Computing kpt #: 166 total cpu time spent up to now is 213.4 secs Computing kpt #: 167 total cpu time spent up to now is 214.8 secs Computing kpt #: 168 total cpu time spent up to now is 216.0 secs Computing kpt #: 169 total cpu time spent up to now is 217.2 secs Computing kpt #: 170 total cpu time spent up to now is 218.5 secs Computing kpt #: 171 total cpu time spent up to now is 219.7 secs Computing kpt #: 172 total cpu time spent up to now is 221.0 secs Computing kpt #: 173 total cpu time spent up to now is 222.2 secs Computing kpt #: 174 total cpu time spent up to now is 223.4 secs Computing kpt #: 175 total cpu time spent up to now is 224.7 secs Computing kpt #: 176 total cpu time spent up to now is 225.9 secs Computing kpt #: 177 total cpu time spent up to now is 227.1 secs Computing kpt #: 178 total cpu time spent up to now is 228.3 secs Computing kpt #: 179 total cpu time spent up to now is 229.4 secs Computing kpt #: 180 total cpu time spent up to now is 230.7 secs Computing kpt #: 181 total cpu time spent up to now is 231.9 secs Computing kpt #: 182 total cpu time spent up to now is 233.1 secs Computing kpt #: 183 total cpu time spent up to now is 234.3 secs Computing kpt #: 184 total cpu time spent up to now is 235.6 secs Computing kpt #: 185 total cpu time spent up to now is 236.8 secs Computing kpt #: 186 total cpu time spent up to now is 238.0 secs Computing kpt #: 187 total cpu time spent up to now is 239.3 secs Computing kpt #: 188 total cpu time spent up to now is 240.5 secs Computing kpt #: 189 total cpu time spent up to now is 241.7 secs Computing kpt #: 190 total cpu time spent up to now is 243.0 secs Computing kpt #: 191 total cpu time spent up to now is 244.3 secs Computing kpt #: 192 total cpu time spent up to now is 245.5 secs Computing kpt #: 193 total cpu time spent up to now is 246.8 secs Computing kpt #: 194 total cpu time spent up to now is 248.1 secs Computing kpt #: 195 total cpu time spent up to now is 249.4 secs Computing kpt #: 196 total cpu time spent up to now is 250.7 secs Computing kpt #: 197 total cpu time spent up to now is 251.9 secs Computing kpt #: 198 total cpu time spent up to now is 253.1 secs Computing kpt #: 199 total cpu time spent up to now is 254.4 secs Computing kpt #: 200 total cpu time spent up to now is 255.6 secs Computing kpt #: 201 total cpu time spent up to now is 256.9 secs Computing kpt #: 202 total cpu time spent up to now is 258.1 secs Computing kpt #: 203 total cpu time spent up to now is 259.3 secs Computing kpt #: 204 total cpu time spent up to now is 260.5 secs Computing kpt #: 205 total cpu time spent up to now is 261.8 secs Computing kpt #: 206 total cpu time spent up to now is 263.0 secs Computing kpt #: 207 total cpu time spent up to now is 264.2 secs Computing kpt #: 208 total cpu time spent up to now is 265.4 secs Computing kpt #: 209 total cpu time spent up to now is 266.6 secs Computing kpt #: 210 total cpu time spent up to now is 267.8 secs Computing kpt #: 211 total cpu time spent up to now is 269.1 secs Computing kpt #: 212 total cpu time spent up to now is 270.3 secs Computing kpt #: 213 total cpu time spent up to now is 271.6 secs Computing kpt #: 214 total cpu time spent up to now is 272.8 secs Computing kpt #: 215 total cpu time spent up to now is 274.0 secs Computing kpt #: 216 total cpu time spent up to now is 275.3 secs Computing kpt #: 217 total cpu time spent up to now is 276.5 secs Computing kpt #: 218 total cpu time spent up to now is 278.0 secs Computing kpt #: 219 total cpu time spent up to now is 279.4 secs Computing kpt #: 220 total cpu time spent up to now is 280.8 secs Computing kpt #: 221 total cpu time spent up to now is 282.2 secs Computing kpt #: 222 total cpu time spent up to now is 283.6 secs Computing kpt #: 223 total cpu time spent up to now is 285.0 secs Computing kpt #: 224 total cpu time spent up to now is 286.4 secs Computing kpt #: 225 total cpu time spent up to now is 287.8 secs Computing kpt #: 226 total cpu time spent up to now is 289.2 secs Computing kpt #: 227 total cpu time spent up to now is 290.6 secs Computing kpt #: 228 total cpu time spent up to now is 292.0 secs Computing kpt #: 229 total cpu time spent up to now is 293.4 secs Computing kpt #: 230 total cpu time spent up to now is 294.7 secs Computing kpt #: 231 total cpu time spent up to now is 296.1 secs Computing kpt #: 232 total cpu time spent up to now is 297.3 secs Computing kpt #: 233 total cpu time spent up to now is 298.5 secs Computing kpt #: 234 total cpu time spent up to now is 299.7 secs Computing kpt #: 235 total cpu time spent up to now is 300.8 secs Computing kpt #: 236 total cpu time spent up to now is 302.0 secs Computing kpt #: 237 total cpu time spent up to now is 303.2 secs Computing kpt #: 238 total cpu time spent up to now is 304.4 secs Computing kpt #: 239 total cpu time spent up to now is 305.6 secs Computing kpt #: 240 total cpu time spent up to now is 306.8 secs Computing kpt #: 241 total cpu time spent up to now is 308.0 secs Computing kpt #: 242 total cpu time spent up to now is 309.1 secs Computing kpt #: 243 total cpu time spent up to now is 310.4 secs Computing kpt #: 244 total cpu time spent up to now is 311.5 secs Computing kpt #: 245 total cpu time spent up to now is 312.7 secs Computing kpt #: 246 total cpu time spent up to now is 314.1 secs Computing kpt #: 247 total cpu time spent up to now is 315.5 secs Computing kpt #: 248 total cpu time spent up to now is 316.9 secs Computing kpt #: 249 total cpu time spent up to now is 318.1 secs Computing kpt #: 250 total cpu time spent up to now is 319.3 secs Computing kpt #: 251 total cpu time spent up to now is 320.7 secs Computing kpt #: 252 total cpu time spent up to now is 322.0 secs Computing kpt #: 253 total cpu time spent up to now is 323.3 secs Computing kpt #: 254 total cpu time spent up to now is 324.5 secs Computing kpt #: 255 total cpu time spent up to now is 325.8 secs Computing kpt #: 256 total cpu time spent up to now is 327.0 secs Computing kpt #: 257 total cpu time spent up to now is 328.4 secs Computing kpt #: 258 total cpu time spent up to now is 329.8 secs Computing kpt #: 259 total cpu time spent up to now is 331.2 secs Computing kpt #: 260 total cpu time spent up to now is 332.6 secs Computing kpt #: 261 total cpu time spent up to now is 334.0 secs Computing kpt #: 262 total cpu time spent up to now is 335.4 secs Computing kpt #: 263 total cpu time spent up to now is 336.8 secs Computing kpt #: 264 total cpu time spent up to now is 338.3 secs Computing kpt #: 265 total cpu time spent up to now is 339.7 secs Computing kpt #: 266 total cpu time spent up to now is 341.1 secs Computing kpt #: 267 total cpu time spent up to now is 342.5 secs Computing kpt #: 268 total cpu time spent up to now is 343.7 secs Computing kpt #: 269 total cpu time spent up to now is 344.9 secs Computing kpt #: 270 total cpu time spent up to now is 346.1 secs Computing kpt #: 271 total cpu time spent up to now is 347.3 secs Computing kpt #: 272 total cpu time spent up to now is 348.5 secs ethr = 1.61E-08, avg # of iterations = 19.0 total cpu time spent up to now is 348.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6467 PWs) bands (ev): -8.0666 -8.0666 -6.6369 -6.6369 -6.6227 -6.6227 -6.6178 -6.6178 -2.5073 -2.5073 -2.3915 -2.3915 -2.2338 -2.2338 -1.7543 -1.7543 -1.7181 -1.7181 -1.6539 -1.6539 1.4166 1.4166 1.5046 1.5046 1.7616 1.7616 2.0345 2.0345 2.0422 2.0422 2.7713 2.7713 3.1701 3.1701 3.1828 3.1828 3.3549 3.3549 3.9343 3.9343 3.9381 3.9381 4.5208 4.5208 4.6042 4.6042 4.6457 4.6457 4.6720 4.6720 4.7921 4.7921 4.9132 4.9132 5.0422 5.0422 6.5002 6.5002 6.5521 6.5521 6.6542 6.6542 6.6570 6.6570 8.3925 8.3925 9.4581 9.4581 9.6248 9.6248 10.0606 10.0606 10.1693 10.1693 k = 0.0000 0.0000 0.0216 ( 6467 PWs) bands (ev): -8.0660 -8.0660 -6.6383 -6.6366 -6.6240 -6.6220 -6.6180 -6.6179 -2.5177 -2.4967 -2.3923 -2.3909 -2.2518 -2.2153 -1.7568 -1.7521 -1.7195 -1.7167 -1.6618 -1.6450 1.4148 1.4180 1.5038 1.5060 1.7464 1.7669 2.0297 2.0347 2.0437 2.0584 2.7709 2.7725 3.1689 3.1703 3.1801 3.1842 3.3548 3.3558 3.9234 3.9294 3.9367 3.9413 4.5163 4.5262 4.6028 4.6065 4.6448 4.6507 4.6688 4.6759 4.7880 4.7978 4.9096 4.9187 5.0436 5.0437 6.4648 6.4699 6.5421 6.5482 6.6524 6.6541 6.6877 6.7028 8.3952 8.3984 9.4546 9.4604 9.6245 9.6274 10.0615 10.0624 10.1674 10.1735 k = 0.0000 0.0000 0.0433 ( 6461 PWs) bands (ev): -8.0641 -8.0641 -6.6407 -6.6375 -6.6255 -6.6221 -6.6187 -6.6183 -2.5279 -2.4860 -2.3935 -2.3905 -2.2688 -2.1964 -1.7595 -1.7502 -1.7209 -1.7157 -1.6682 -1.6351 1.4123 1.4184 1.5045 1.5081 1.7245 1.7604 2.0336 2.0357 2.0513 2.0837 2.7713 2.7745 3.1658 3.1694 3.1775 3.1846 3.3553 3.3574 3.8989 3.9168 3.9359 3.9384 4.5125 4.5326 4.6026 4.6095 4.6483 4.6590 4.6664 4.6804 4.7855 4.8049 4.9080 4.9262 5.0481 5.0483 6.3947 6.4040 6.5372 6.5373 6.6469 6.6503 6.7598 6.7768 8.4066 8.4128 9.4485 9.4608 9.6273 9.6341 10.0640 10.0667 10.1677 10.1804 k = 0.0000 0.0000 0.0649 ( 6465 PWs) bands (ev): -8.0610 -8.0609 -6.6439 -6.6397 -6.6272 -6.6234 -6.6199 -6.6186 -2.5378 -2.4753 -2.3953 -2.3904 -2.2847 -2.1775 -1.7624 -1.7487 -1.7221 -1.7153 -1.6728 -1.6246 1.4083 1.4164 1.5084 1.5118 1.6989 1.7430 2.0390 2.0481 2.0613 2.1139 2.7725 2.7773 3.1589 3.1664 3.1768 3.1852 3.3565 3.3595 3.8646 3.8937 3.9330 3.9334 4.5093 4.5398 4.6036 4.6132 4.6555 4.6650 4.6696 4.6855 4.7846 4.8133 4.9085 4.9355 5.0557 5.0560 6.3180 6.3283 6.5251 6.5298 6.6388 6.6437 6.8403 6.8573 8.4263 8.4353 9.4379 9.4568 9.6366 9.6483 10.0665 10.0722 10.1707 10.1903 k = 0.0000 0.0000 0.0866 ( 6467 PWs) bands (ev): -8.0566 -8.0566 -6.6481 -6.6434 -6.6293 -6.6257 -6.6212 -6.6190 -2.5473 -2.4646 -2.3977 -2.3903 -2.2992 -2.1586 -1.7653 -1.7475 -1.7228 -1.7159 -1.6753 -1.6138 1.4016 1.4107 1.5173 1.5174 1.6722 1.7175 2.0439 2.0707 2.0730 2.1470 2.7746 2.7808 3.1485 3.1604 3.1776 3.1866 3.3582 3.3622 3.8225 3.8608 3.9267 3.9295 4.5064 4.5475 4.6058 4.6179 4.6646 4.6652 4.6813 4.6912 4.7851 4.8229 4.9112 4.9465 5.0668 5.0671 6.2402 6.2504 6.5093 6.5184 6.6289 6.6350 6.9234 6.9397 8.4540 8.4653 9.4217 9.4462 9.6561 9.6727 10.0676 10.0772 10.1768 10.2031 k = 0.0000 0.0000 0.1082 ( 6475 PWs) bands (ev): -8.0511 -8.0510 -6.6531 -6.6483 -6.6319 -6.6288 -6.6226 -6.6194 -2.5564 -2.4539 -2.4012 -2.3904 -2.3118 -2.1401 -1.7682 -1.7469 -1.7232 -1.7173 -1.6759 -1.6028 1.3920 1.4015 1.5234 1.5317 1.6481 1.6868 2.0496 2.0845 2.0995 2.1822 2.7775 2.7851 3.1353 3.1513 3.1794 3.1889 3.3603 3.3652 3.7747 3.8201 3.9194 3.9244 4.5038 4.5554 4.6087 4.6236 4.6653 4.6762 4.6932 4.6974 4.7871 4.8337 4.9160 4.9590 5.0817 5.0817 6.1626 6.1723 6.4888 6.5018 6.6179 6.6250 7.0071 7.0224 8.4889 8.5021 9.4004 9.4288 9.6875 9.7081 10.0665 10.0799 10.1862 10.2182 k = 0.0000 0.0000 0.1298 ( 6495 PWs) bands (ev): -8.0443 -8.0442 -6.6591 -6.6544 -6.6353 -6.6327 -6.6239 -6.6201 -2.5651 -2.4435 -2.4058 -2.3906 -2.3222 -2.1221 -1.7710 -1.7467 -1.7231 -1.7194 -1.6750 -1.5919 1.3796 1.3893 1.5244 1.5508 1.6329 1.6532 2.0551 2.0957 2.1318 2.2186 2.7814 2.7902 3.1197 3.1395 3.1818 3.1919 3.3625 3.3685 3.7237 3.7742 3.9113 3.9183 4.5013 4.5631 4.6120 4.6302 4.6673 4.6871 4.7045 4.7046 4.7906 4.8457 4.9228 4.9724 5.1002 5.1007 6.0860 6.0949 6.4630 6.4797 6.6065 6.6144 7.0903 7.1041 8.5304 8.5448 9.3757 9.4064 9.7302 9.7538 10.0630 10.0795 10.1985 10.2349 k = 0.0000 0.0000 0.1515 ( 6503 PWs) bands (ev): -8.0364 -8.0363 -6.6660 -6.6614 -6.6395 -6.6372 -6.6252 -6.6211 -2.5732 -2.4333 -2.4115 -2.3909 -2.3302 -2.1048 -1.7734 -1.7468 -1.7226 -1.7218 -1.6727 -1.5812 1.3650 1.3753 1.5129 1.5708 1.6210 1.6349 2.0594 2.1052 2.1668 2.2561 2.7862 2.7961 3.1017 3.1249 3.1846 3.1953 3.3647 3.3721 3.6718 3.7254 3.9024 3.9113 4.4989 4.5701 4.6155 4.6377 4.6705 4.6962 4.7137 4.7149 4.7959 4.8591 4.9314 4.9864 5.1226 5.1242 6.0107 6.0186 6.4317 6.4518 6.5948 6.6036 7.1720 7.1840 8.5777 8.5926 9.3493 9.3812 9.7830 9.8089 10.0573 10.0762 10.2126 10.2522 k = 0.0000 0.0000 0.1731 ( 6503 PWs) bands (ev): -8.0273 -8.0272 -6.6737 -6.6694 -6.6444 -6.6423 -6.6266 -6.6222 -2.5807 -2.4238 -2.4180 -2.3911 -2.3357 -2.0882 -1.7753 -1.7472 -1.7242 -1.7217 -1.6696 -1.5709 1.3488 1.3603 1.4889 1.5651 1.6173 1.6537 2.0617 2.1122 2.2038 2.2943 2.7919 2.8028 3.0812 3.1073 3.1878 3.1989 3.3662 3.3757 3.6218 3.6760 3.8931 3.9038 4.4966 4.5761 4.6189 4.6462 4.6749 4.7024 4.7242 4.7250 4.8036 4.8741 4.9415 5.0006 5.1492 5.1523 5.9371 5.9440 6.3952 6.4182 6.5830 6.5929 7.2515 7.2611 8.6299 8.6447 9.3227 9.3551 9.8445 9.8721 10.0496 10.0703 10.2275 10.2698 k = 0.0000 0.0000 0.1948 ( 6499 PWs) bands (ev): -8.0171 -8.0170 -6.6822 -6.6781 -6.6499 -6.6480 -6.6282 -6.6236 -2.5875 -2.4261 -2.4139 -2.3914 -2.3389 -2.0726 -1.7768 -1.7478 -1.7265 -1.7206 -1.6660 -1.5613 1.3315 1.3448 1.4584 1.5303 1.6453 1.6836 2.0612 2.1161 2.2423 2.3332 2.7984 2.8103 3.0580 3.0863 3.1912 3.2026 3.3665 3.3791 3.5766 3.6282 3.8833 3.8958 4.4944 4.5811 4.6223 4.6554 4.6802 4.7063 4.7323 4.7374 4.8144 4.8907 4.9527 5.0148 5.1798 5.1849 5.8656 5.8712 6.3539 6.3794 6.5711 6.5820 7.3278 7.3347 8.6858 8.7001 9.2974 9.3297 9.9131 9.9411 10.0406 10.0622 10.2428 10.2876 k = 0.0000 0.0000 0.2164 ( 6491 PWs) bands (ev): -8.0059 -8.0057 -6.6914 -6.6875 -6.6560 -6.6542 -6.6299 -6.6253 -2.5937 -2.4337 -2.4054 -2.3917 -2.3400 -2.0581 -1.7777 -1.7484 -1.7286 -1.7192 -1.6619 -1.5523 1.3136 1.3293 1.4249 1.4910 1.6800 1.7208 2.0573 2.1165 2.2821 2.3725 2.8058 2.8184 3.0320 3.0611 3.1946 3.2063 3.3646 3.3815 3.5394 3.5847 3.8732 3.8875 4.4922 4.5849 4.6256 4.6653 4.6862 4.7083 4.7391 4.7494 4.8290 4.9093 4.9645 5.0289 5.2143 5.2216 5.7963 5.8007 6.3081 6.3358 6.5588 6.5708 7.4001 7.4039 8.7441 8.7577 9.2746 9.3064 9.9868 10.0063 10.0379 10.0524 10.2583 10.3065 k = 0.0000 0.0000 0.2380 ( 6491 PWs) bands (ev): -7.9936 -7.9935 -6.7012 -6.6976 -6.6626 -6.6608 -6.6319 -6.6272 -2.5991 -2.4415 -2.3978 -2.3921 -2.3391 -2.0447 -1.7781 -1.7490 -1.7307 -1.7178 -1.6577 -1.5443 1.2951 1.3140 1.3902 1.4507 1.7174 1.7635 2.0500 2.1138 2.3229 2.4121 2.8139 2.8273 3.0029 3.0307 3.1980 3.2100 3.3595 3.3821 3.5130 3.5480 3.8630 3.8789 4.4900 4.5876 4.6288 4.6755 4.6928 4.7089 4.7447 4.7605 4.8481 4.9300 4.9768 5.0428 5.2524 5.2620 5.7297 5.7327 6.2586 6.2881 6.5460 6.5592 7.4678 7.4682 8.8031 8.8160 9.2560 9.2867 10.0096 10.0366 10.0674 10.0959 10.2751 10.3287 k = 0.0000 0.0000 0.2597 ( 6487 PWs) bands (ev): -7.9804 -7.9802 -6.7117 -6.7081 -6.6697 -6.6679 -6.6342 -6.6295 -2.6037 -2.4488 -2.3925 -2.3915 -2.3363 -2.0325 -1.7778 -1.7496 -1.7325 -1.7163 -1.6533 -1.5372 1.2762 1.2992 1.3552 1.4101 1.7554 1.8104 2.0397 2.1092 2.3644 2.4519 2.8222 2.8368 2.9706 2.9949 3.2012 3.2137 3.3516 3.3791 3.4986 3.5211 3.8526 3.8701 4.4878 4.5895 4.6320 4.6853 4.6999 4.7092 4.7491 4.7704 4.8715 4.9528 4.9893 5.0568 5.2935 5.3056 5.6660 5.6677 6.2059 6.2368 6.5327 6.5470 7.5270 7.5302 8.8599 8.8728 9.2438 9.2726 9.9954 10.0243 10.1405 10.1640 10.2964 10.3591 k = 0.0000 0.0000 0.2813 ( 6483 PWs) bands (ev): -7.9663 -7.9661 -6.7225 -6.7191 -6.6771 -6.6754 -6.6368 -6.6321 -2.6076 -2.4556 -2.3929 -2.3864 -2.3318 -2.0215 -1.7770 -1.7501 -1.7342 -1.7148 -1.6489 -1.5312 1.2563 1.2848 1.3208 1.3695 1.7914 1.8596 2.0279 2.1052 2.4065 2.4917 2.8299 2.8467 2.9361 2.9537 3.2040 3.2173 3.3426 3.3716 3.4948 3.5058 3.8423 3.8613 4.4858 4.5906 4.6352 4.6925 4.7074 4.7114 4.7524 4.7793 4.8992 4.9776 5.0018 5.0710 5.3371 5.3519 5.6054 5.6061 6.1505 6.1826 6.5186 6.5341 7.5801 7.5869 8.9104 8.9248 9.2413 9.2669 9.9783 10.0085 10.2028 10.2182 10.3305 10.4050 k = 0.0000 0.0000 0.3029 ( 6479 PWs) bands (ev): -7.9513 -7.9511 -6.7338 -6.7305 -6.6849 -6.6832 -6.6397 -6.6350 -2.6106 -2.4616 -2.3934 -2.3827 -2.3256 -2.0117 -1.7757 -1.7506 -1.7358 -1.7133 -1.6446 -1.5264 1.2348 1.2706 1.2878 1.3292 1.8213 1.9057 2.0200 2.1063 2.4490 2.5313 2.8333 2.8565 2.9030 2.9084 3.2064 3.2209 3.3344 3.3604 3.4990 3.5015 3.8320 3.8524 4.4839 4.5911 4.6383 4.6942 4.7155 4.7187 4.7546 4.7873 4.9306 5.0042 5.0143 5.0861 5.3818 5.4004 5.5481 5.5488 6.0931 6.1262 6.5038 6.5203 7.6272 7.6376 8.9493 8.9672 9.2533 9.2737 9.9591 9.9905 10.2421 10.2536 10.3864 10.4686 k = 0.0000 0.0000 0.3246 ( 6469 PWs) bands (ev): -7.9356 -7.9353 -6.7453 -6.7421 -6.6930 -6.6913 -6.6430 -6.6383 -2.6128 -2.4668 -2.3938 -2.3799 -2.3182 -2.0030 -1.7740 -1.7509 -1.7372 -1.7119 -1.6405 -1.5227 1.2106 1.2561 1.2576 1.2899 1.8400 1.9321 2.0332 2.1182 2.4917 2.5703 2.8198 2.8503 2.8760 2.8845 3.2082 3.2244 3.3282 3.3478 3.5057 3.5092 3.8218 3.8435 4.4822 4.5912 4.6413 4.6920 4.7242 4.7296 4.7559 4.7947 4.9656 5.0267 5.0315 5.1028 5.4226 5.4505 5.4945 5.5010 6.0343 6.0681 6.4882 6.5058 7.6682 7.6821 8.9722 8.9953 9.2830 9.2970 9.9377 9.9704 10.2635 10.2750 10.4570 10.5427 k = 0.0000 0.0000 0.3462 ( 6461 PWs) bands (ev): -7.9191 -7.9189 -6.7569 -6.7538 -6.7012 -6.6995 -6.6467 -6.6421 -2.6142 -2.4712 -2.3943 -2.3780 -2.3099 -1.9953 -1.7719 -1.7511 -1.7386 -1.7106 -1.6365 -1.5202 1.1829 1.2307 1.2383 1.2543 1.8443 1.9280 2.0788 2.1449 2.5342 2.6078 2.7848 2.8015 2.8839 2.8865 3.2095 3.2277 3.3240 3.3360 3.5155 3.5238 3.8118 3.8347 4.4807 4.5910 4.6441 4.6883 4.7334 4.7418 4.7565 4.8018 5.0035 5.0392 5.0576 5.1232 5.4216 5.4441 5.4999 5.5022 5.9746 6.0090 6.4718 6.4903 7.7032 7.7203 8.9796 9.0080 9.3290 9.3372 9.9141 9.9480 10.2769 10.2890 10.5303 10.6184 k = 0.0000 0.0000 0.3679 ( 6461 PWs) bands (ev): -7.9020 -7.9018 -6.7686 -6.7655 -6.7097 -6.7080 -6.6509 -6.6462 -2.6147 -2.4747 -2.3948 -2.3768 -2.3010 -1.9886 -1.7696 -1.7512 -1.7400 -1.7093 -1.6329 -1.5189 1.1523 1.2064 1.2069 1.2325 1.8358 1.9106 2.1400 2.1857 2.5763 2.6409 2.7442 2.7475 2.8960 2.8963 3.2102 3.2308 3.3214 3.3258 3.5292 3.5419 3.8020 3.8260 4.4796 4.5905 4.6467 4.6839 4.7421 4.7543 4.7573 4.8087 5.0402 5.0553 5.0798 5.1497 5.3811 5.3980 5.5432 5.5543 5.9148 5.9496 6.4546 6.4740 7.7320 7.7521 8.9753 9.0081 9.3865 9.3905 9.8882 9.9231 10.2871 10.2993 10.6000 10.6901 k = 0.0000 0.0000 0.3895 ( 6455 PWs) bands (ev): -7.8844 -7.8842 -6.7802 -6.7771 -6.7182 -6.7165 -6.6555 -6.6508 -2.6144 -2.4774 -2.3953 -2.3760 -2.2916 -1.9829 -1.7672 -1.7512 -1.7413 -1.7082 -1.6295 -1.5188 1.1203 1.1700 1.1831 1.2158 1.8192 1.8901 2.2072 2.2369 2.6170 2.6524 2.6931 2.7213 2.9088 2.9089 3.2104 3.2337 3.3176 3.3201 3.5455 3.5627 3.7925 3.8174 4.4791 4.5899 4.6489 4.6791 4.7469 4.7623 4.7667 4.8159 5.0570 5.0935 5.0968 5.1831 5.3390 5.3561 5.5929 5.6068 5.8555 5.8905 6.4365 6.4568 7.7548 7.7776 8.9633 8.9994 9.4507 9.4520 9.8598 9.8956 10.2962 10.3078 10.6635 10.7550 k = 0.0000 0.0000 0.4111 ( 6459 PWs) bands (ev): -7.8664 -7.8661 -6.7916 -6.7885 -6.7268 -6.7251 -6.6606 -6.6558 -2.6133 -2.4793 -2.3959 -2.3757 -2.2818 -1.9780 -1.7647 -1.7511 -1.7426 -1.7073 -1.6266 -1.5197 1.0879 1.1333 1.1596 1.1983 1.7992 1.8699 2.2770 2.2947 2.6201 2.6287 2.6666 2.7400 2.9224 2.9226 3.2100 3.2364 3.3111 3.3196 3.5635 3.5858 3.7832 3.8088 4.4792 4.5892 4.6509 4.6741 4.7459 4.7729 4.7780 4.8238 5.0663 5.1092 5.1404 5.2219 5.3007 5.3193 5.6439 5.6592 5.7973 5.8325 6.4178 6.4388 7.7714 7.7967 8.9460 8.9848 9.5181 9.5184 9.8286 9.8651 10.3051 10.3158 10.7199 10.8122 k = 0.0000 0.0000 0.4328 ( 6465 PWs) bands (ev): -7.8480 -7.8477 -6.8028 -6.7996 -6.7353 -6.7337 -6.6661 -6.6614 -2.6113 -2.4804 -2.3965 -2.3757 -2.2718 -1.9739 -1.7622 -1.7509 -1.7439 -1.7065 -1.6240 -1.5217 1.0558 1.0975 1.1351 1.1789 1.7792 1.8518 2.3465 2.3563 2.5752 2.5767 2.7030 2.7716 2.9363 2.9373 3.2094 3.2388 3.3063 3.3197 3.5828 3.6103 3.7744 3.8005 4.4800 4.5886 4.6527 4.6691 4.7425 4.7861 4.7878 4.8330 5.0727 5.1177 5.1899 5.2578 5.2686 5.2949 5.6951 5.7111 5.7408 5.7763 6.3983 6.4200 7.7818 7.8092 8.9246 8.9655 9.5868 9.5877 9.7945 9.8314 10.3146 10.3239 10.7696 10.8624 k = 0.0000 0.0000 0.4544 ( 6461 PWs) bands (ev): -7.8294 -7.8291 -6.8135 -6.8103 -6.7438 -6.7422 -6.6722 -6.6674 -2.6086 -2.4807 -2.3971 -2.3761 -2.2615 -1.9706 -1.7599 -1.7506 -1.7450 -1.7059 -1.6216 -1.5245 1.0244 1.0628 1.1092 1.1569 1.7615 1.8369 2.4080 2.4192 2.5221 2.5360 2.7419 2.8044 2.9505 2.9525 3.2085 3.2410 3.3032 3.3206 3.6027 3.6358 3.7659 3.7923 4.4819 4.5882 4.6542 4.6641 4.7378 4.7954 4.8007 4.8439 5.0755 5.1221 5.2269 5.2500 5.2583 5.3236 5.6868 5.7219 5.7460 5.7627 6.3782 6.4005 7.7858 7.8152 8.9000 8.9426 9.6567 9.6573 9.7576 9.7944 10.3250 10.3325 10.8140 10.9072 k = 0.0000 0.0000 0.4761 ( 6465 PWs) bands (ev): -7.8108 -7.8104 -6.8237 -6.8205 -6.7522 -6.7506 -6.6788 -6.6740 -2.6051 -2.4805 -2.3977 -2.3768 -2.2510 -1.9679 -1.7579 -1.7501 -1.7460 -1.7056 -1.6197 -1.5282 0.9939 1.0293 1.0819 1.1322 1.7478 1.8258 2.4269 2.4610 2.4890 2.5382 2.7800 2.8364 2.9651 2.9683 3.2078 3.2431 3.3017 3.3224 3.6227 3.6616 3.7579 3.7844 4.4850 4.5881 4.6556 4.6592 4.7322 4.8007 4.8165 4.8563 5.0734 5.1210 5.2160 5.2309 5.3063 5.3737 5.6359 5.6715 5.7959 5.8125 6.3576 6.3804 7.7832 7.8143 8.8729 8.9164 9.7090 9.7267 9.7354 9.7540 10.3365 10.3420 10.8546 10.9485 k = 0.0000 0.0000 0.4977 ( 6460 PWs) bands (ev): -7.7921 -7.7917 -6.8333 -6.8300 -6.7603 -6.7588 -6.6859 -6.6811 -2.6008 -2.4796 -2.3984 -2.3779 -2.2403 -1.9660 -1.7565 -1.7496 -1.7465 -1.7055 -1.6180 -1.5325 0.9644 0.9972 1.0533 1.1048 1.7390 1.8189 2.3931 2.4115 2.5464 2.5914 2.8169 2.8667 2.9799 2.9844 3.2076 3.2452 3.3024 3.3258 3.6423 3.6870 3.7506 3.7770 4.4893 4.5883 4.6545 4.6569 4.7260 4.8041 4.8332 4.8696 5.0660 5.1135 5.2056 5.2178 5.3645 5.4283 5.5890 5.6249 5.8446 5.8611 6.3366 6.3597 7.7736 7.8063 8.8437 8.8876 9.6698 9.7085 9.7983 9.8005 10.3491 10.3523 10.8930 10.9879 k = 0.0000 0.0000 0.5193 ( 6472 PWs) bands (ev): -7.7735 -7.7732 -6.8422 -6.8388 -6.7683 -6.7668 -6.6935 -6.6886 -2.5960 -2.4783 -2.3991 -2.3794 -2.2294 -1.9648 -1.7561 -1.7490 -1.7464 -1.7058 -1.6166 -1.5374 0.9362 0.9666 1.0236 1.0750 1.7354 1.8163 2.3472 2.3596 2.6039 2.6531 2.8525 2.8949 2.9948 3.0010 3.2086 3.2470 3.3058 3.3315 3.6608 3.7110 3.7442 3.7704 4.4951 4.5890 4.6500 4.6581 4.7196 4.8060 4.8507 4.8830 5.0549 5.1000 5.2013 5.2108 5.4252 5.4858 5.5468 5.5828 5.8917 5.9077 6.3154 6.3388 7.7567 7.7908 8.8133 8.8568 9.6220 9.6599 9.8691 9.8705 10.3628 10.3635 10.9306 11.0266 k = 0.0000 0.0000 0.5410 ( 6480 PWs) bands (ev): -7.7553 -7.7549 -6.8503 -6.8468 -6.7760 -6.7746 -6.7016 -6.6967 -2.5904 -2.4766 -2.4000 -2.3812 -2.2182 -1.9642 -1.7565 -1.7483 -1.7456 -1.7063 -1.6155 -1.5427 0.9094 0.9375 0.9933 1.0434 1.7370 1.8179 2.2998 2.3093 2.6561 2.7110 2.8865 2.9209 3.0098 3.0177 3.2113 3.2487 3.3131 3.3406 3.6774 3.7314 3.7393 3.7665 4.5024 4.5900 4.6458 4.6589 4.7136 4.8067 4.8689 4.8955 5.0426 5.0828 5.2010 5.2078 5.4827 5.5149 5.5450 5.5466 5.9369 5.9523 6.2941 6.3177 7.7323 7.7676 8.7826 8.8249 9.5703 9.6073 9.9402 9.9410 10.3752 10.3773 10.9680 11.0652 k = 0.0000 0.0000 0.5626 ( 6488 PWs) bands (ev): -7.7374 -7.7371 -6.8574 -6.8539 -6.7834 -6.7820 -6.7101 -6.7053 -2.5843 -2.4745 -2.4008 -2.3835 -2.2068 -1.9644 -1.7574 -1.7475 -1.7444 -1.7073 -1.6145 -1.5482 0.8839 0.9100 0.9630 1.0107 1.7433 1.8234 2.2532 2.2609 2.7010 2.7603 2.9186 2.9446 3.0247 3.0344 3.2160 3.2502 3.3260 3.3543 3.6904 3.7374 3.7410 3.7721 4.5111 4.5914 4.6420 4.6590 4.7090 4.8067 4.8877 4.9058 5.0320 5.0638 5.2029 5.2064 5.4728 5.5147 5.5576 5.6070 5.9799 5.9945 6.2731 6.2967 7.7001 7.7365 8.7525 8.7929 9.5150 9.5509 10.0115 10.0119 10.3874 10.3921 11.0057 11.1038 k = 0.0000 0.0000 0.5843 ( 6476 PWs) bands (ev): -7.7201 -7.7198 -6.8636 -6.8599 -6.7903 -6.7891 -6.7191 -6.7142 -2.5775 -2.4722 -2.4017 -2.3860 -2.1952 -1.9654 -1.7585 -1.7467 -1.7430 -1.7085 -1.6136 -1.5538 0.8600 0.8842 0.9330 0.9777 1.7538 1.8322 2.2083 2.2149 2.7374 2.7981 2.9487 2.9660 3.0394 3.0510 3.2223 3.2515 3.3465 3.3736 3.6976 3.7389 3.7406 3.7878 4.5210 4.5932 4.6385 4.6577 4.7072 4.8064 4.9070 4.9127 5.0254 5.0442 5.2053 5.2053 5.4477 5.4895 5.6227 5.6697 6.0203 6.0338 6.2527 6.2763 7.6604 7.6974 8.7239 8.7617 9.4566 9.4912 10.0832 10.0834 10.3998 10.4072 11.0434 11.1418 k = 0.0000 0.0000 0.6059 ( 6484 PWs) bands (ev): -7.7035 -7.7032 -6.8686 -6.8649 -6.7969 -6.7957 -6.7285 -6.7236 -2.5703 -2.4698 -2.4027 -2.3891 -2.1833 -1.9671 -1.7598 -1.7459 -1.7417 -1.7102 -1.6128 -1.5595 0.8377 0.8601 0.9040 0.9450 1.7679 1.8439 2.1656 2.1716 2.7647 2.8231 2.9759 2.9853 3.0535 3.0670 3.2291 3.2525 3.3760 3.3986 3.6988 3.7335 3.7486 3.8047 4.5316 4.5950 4.6356 4.6545 4.7092 4.8062 4.9149 4.9265 5.0244 5.0246 5.2039 5.2073 5.4280 5.4700 5.6888 5.7326 6.0577 6.0698 6.2335 6.2569 7.6136 7.6509 8.6976 8.7324 9.3956 9.4286 10.1553 10.1558 10.4122 10.4221 11.0803 11.1785 k = 0.0000 0.0000 0.6275 ( 6484 PWs) bands (ev): -7.6878 -7.6875 -6.8726 -6.8687 -6.8031 -6.8019 -6.7383 -6.7334 -2.5626 -2.4673 -2.4037 -2.3925 -2.1712 -1.9698 -1.7608 -1.7450 -1.7405 -1.7124 -1.6121 -1.5650 0.8170 0.8378 0.8765 0.9134 1.7849 1.8579 2.1256 2.1313 2.7832 2.8359 2.9999 3.0025 3.0671 3.0822 3.2355 3.2535 3.4142 3.4291 3.6968 3.7275 3.7587 3.8201 4.5422 4.5966 4.6331 4.6496 4.7158 4.8066 4.9128 4.9463 5.0054 5.0288 5.2022 5.2085 5.4144 5.4559 5.7545 5.7950 6.0915 6.1018 6.2164 6.2397 7.5604 7.5975 8.6741 8.7055 9.3330 9.3641 10.2281 10.2286 10.4244 10.4370 11.1149 11.2122 k = 0.0000 0.0000 0.6492 ( 6472 PWs) bands (ev): -7.6730 -7.6728 -6.8753 -6.8714 -6.8087 -6.8077 -6.7483 -6.7434 -2.5546 -2.4648 -2.4048 -2.3962 -2.1589 -1.9733 -1.7617 -1.7441 -1.7394 -1.7148 -1.6113 -1.5703 0.7980 0.8174 0.8508 0.8833 1.8040 1.8735 2.0886 2.0943 2.7937 2.8387 3.0179 3.0203 3.0800 3.0961 3.2413 3.2546 3.4588 3.4638 3.6936 3.7215 3.7686 3.8332 4.5522 4.5976 4.6313 4.6437 4.7268 4.8083 4.9079 4.9661 4.9869 5.0370 5.2003 5.2090 5.4065 5.4467 5.8185 5.8556 6.1199 6.1284 6.2034 6.2264 7.5022 7.5385 8.6536 8.6816 9.2696 9.2987 10.3014 10.3017 10.4364 10.4520 11.1457 11.2115 k = 0.0000 0.0000 0.6708 ( 6482 PWs) bands (ev): -7.6594 -7.6592 -6.8768 -6.8728 -6.8139 -6.8129 -6.7586 -6.7537 -2.5463 -2.4627 -2.4061 -2.4001 -2.1464 -1.9779 -1.7622 -1.7433 -1.7385 -1.7178 -1.6106 -1.5753 0.7807 0.7987 0.8274 0.8554 1.8244 1.8899 2.0551 2.0609 2.7975 2.8339 3.0316 3.0372 3.0922 3.1084 3.2463 3.2558 3.5009 3.5066 3.6903 3.7158 3.7773 3.8435 4.5608 4.5977 4.6299 4.6375 4.7415 4.8117 4.9017 4.9691 4.9859 5.0472 5.1986 5.2088 5.4036 5.4414 5.8792 5.9127 6.1392 6.1467 6.1992 6.2207 7.4407 7.4755 8.6363 8.6608 9.2068 9.2336 10.3721 10.3754 10.4484 10.4693 11.1695 11.1819 k = 0.0000 0.0000 0.6924 ( 6474 PWs) bands (ev): -7.6471 -7.6469 -6.8771 -6.8730 -6.8185 -6.8176 -6.7689 -6.7641 -2.5377 -2.4609 -2.4073 -2.4042 -2.1338 -1.9833 -1.7623 -1.7425 -1.7377 -1.7210 -1.6098 -1.5799 0.7652 0.7819 0.8066 0.8299 1.8452 1.9060 2.0255 2.0317 2.7960 2.8240 3.0435 3.0508 3.1036 3.1190 3.2507 3.2572 3.5387 3.5550 3.6871 3.7105 3.7844 3.8510 4.5678 4.5969 4.6287 4.6319 4.7592 4.8171 4.8954 4.9528 5.0053 5.0582 5.1974 5.2087 5.4048 5.4393 5.9343 5.9640 6.1463 6.1550 6.2082 6.2259 7.3780 7.4105 8.6221 8.6430 9.1459 9.1701 10.4311 10.4426 10.4670 10.4979 11.1534 11.1681 k = 0.0000 0.0000 0.7141 ( 6482 PWs) bands (ev): -7.6361 -7.6359 -6.8762 -6.8720 -6.8225 -6.8217 -6.7792 -6.7745 -2.5290 -2.4598 -2.4087 -2.4082 -2.1210 -1.9898 -1.7620 -1.7418 -1.7371 -1.7244 -1.6089 -1.5841 0.7515 0.7669 0.7885 0.8074 1.8652 1.9204 2.0009 2.0071 2.7906 2.8113 3.0539 3.0616 3.1139 3.1278 3.2547 3.2589 3.5755 3.6014 3.6843 3.7057 3.7895 3.8555 4.5728 4.5952 4.6271 4.6276 4.7785 4.8243 4.8896 4.9378 5.0241 5.0689 5.1969 5.2087 5.4092 5.4396 5.9803 6.0057 6.1494 6.1594 6.2246 6.2385 7.3162 7.3458 8.6106 8.6282 9.0885 9.1100 10.4618 10.4640 10.5311 10.5544 11.1312 11.1434 k = 0.0000 0.0000 0.7357 ( 6492 PWs) bands (ev): -7.6266 -7.6265 -6.8741 -6.8699 -6.8260 -6.8253 -6.7894 -6.7847 -2.5203 -2.4596 -2.4118 -2.4102 -2.1083 -1.9972 -1.7612 -1.7412 -1.7366 -1.7281 -1.6080 -1.5879 0.7397 0.7536 0.7735 0.7880 1.8828 1.9300 1.9836 1.9883 2.7828 2.7973 3.0627 3.0701 3.1229 3.1348 3.2583 3.2607 3.6097 3.6441 3.6821 3.7018 3.7927 3.8570 4.5761 4.5930 4.6234 4.6264 4.7981 4.8327 4.8845 4.9242 5.0421 5.0786 5.1972 5.2090 5.4157 5.4416 6.0129 6.0332 6.1586 6.1692 6.2418 6.2527 7.2580 7.2840 8.6018 8.6161 9.0362 9.0547 10.4738 10.4763 10.6060 10.6263 11.1129 11.1226 k = 0.0000 0.0000 0.7574 ( 6486 PWs) bands (ev): -7.6187 -7.6186 -6.8710 -6.8668 -6.8289 -6.8282 -6.7991 -6.7947 -2.5115 -2.4606 -2.4147 -2.4116 -2.0955 -2.0056 -1.7598 -1.7410 -1.7363 -1.7316 -1.6069 -1.5913 0.7301 0.7421 0.7614 0.7720 1.8958 1.9301 1.9766 1.9776 2.7740 2.7836 3.0702 3.0766 3.1305 3.1402 3.2614 3.2625 3.6399 3.6783 3.6839 3.6995 3.7942 3.8554 4.5782 4.5905 4.6209 4.6250 4.8163 4.8417 4.8803 4.9122 5.0588 5.0871 5.1983 5.2094 5.4234 5.4444 6.0304 6.0456 6.1770 6.1872 6.2571 6.2657 7.2059 7.2277 8.5952 8.6064 8.9909 9.0061 10.4816 10.4854 10.6813 10.7018 11.0984 11.1057 k = 0.0000 0.0000 0.7790 ( 6478 PWs) bands (ev): -7.6125 -7.6124 -6.8669 -6.8630 -6.8311 -6.8305 -6.8081 -6.8040 -2.5029 -2.4631 -2.4166 -2.4131 -2.0829 -2.0147 -1.7579 -1.7414 -1.7361 -1.7344 -1.6057 -1.5942 0.7227 0.7324 0.7524 0.7596 1.9022 1.9224 1.9734 1.9804 2.7656 2.7715 3.0762 3.0812 3.1367 3.1439 3.2639 3.2643 3.6634 3.6789 3.7008 3.7129 3.7951 3.8507 4.5793 4.5880 4.6196 4.6236 4.8322 4.8503 4.8772 4.9017 5.0733 5.0938 5.2002 5.2097 5.4315 5.4474 6.0373 6.0482 6.1999 6.2084 6.2697 6.2762 7.1626 7.1795 8.5906 8.5988 8.9541 8.9658 10.4881 10.4917 10.7553 10.7775 11.0874 11.0923 k = 0.0000 0.0000 0.8006 ( 6486 PWs) bands (ev): -7.6080 -7.6080 -6.8624 -6.8589 -6.8327 -6.8322 -6.8159 -6.8125 -2.4945 -2.4672 -2.4176 -2.4146 -2.0705 -2.0247 -1.7555 -1.7434 -1.7361 -1.7359 -1.6044 -1.5968 0.7178 0.7247 0.7462 0.7507 1.9033 1.9138 1.9767 1.9847 2.7587 2.7620 3.0808 3.0842 3.1413 3.1461 3.2657 3.2657 3.6754 3.6784 3.7098 3.7335 3.7981 3.8429 4.5801 4.5856 4.6191 4.6222 4.8449 4.8575 4.8750 4.8927 5.0850 5.0982 5.2024 5.2095 5.4390 5.4496 6.0395 6.0465 6.2207 6.2266 6.2792 6.2837 7.1305 7.1421 8.5878 8.5932 8.9272 8.9352 10.4930 10.4957 10.8263 10.8501 11.0795 11.0820 k = 0.0000 0.0000 0.8223 ( 6494 PWs) bands (ev): -7.6053 -7.6053 -6.8581 -6.8558 -6.8336 -6.8332 -6.8212 -6.8191 -2.4866 -2.4727 -2.4176 -2.4159 -2.0584 -2.0354 -1.7527 -1.7464 -1.7363 -1.7362 -1.6029 -1.5991 0.7156 0.7191 0.7430 0.7451 1.9029 1.9074 1.9820 1.9869 2.7543 2.7557 3.0839 3.0856 3.1445 3.1470 3.2667 3.2667 3.6783 3.6783 3.7240 3.7406 3.8066 3.8322 4.5809 4.5836 4.6193 4.6210 4.8542 4.8615 4.8751 4.8851 5.0935 5.0999 5.2048 5.2086 5.4449 5.4502 6.0404 6.0438 6.2351 6.2381 6.2854 6.2878 7.1116 7.1175 8.5867 8.5894 8.9114 8.9154 10.4964 10.4978 10.8899 10.9112 11.0696 11.0738 k = 0.0000 0.0000 0.8439 ( 6476 PWs) bands (ev): -7.6044 -7.6044 -6.8554 -6.8554 -6.8337 -6.8337 -6.8225 -6.8225 -2.4791 -2.4791 -2.4169 -2.4169 -2.0466 -2.0466 -1.7496 -1.7496 -1.7362 -1.7362 -1.6011 -1.6011 0.7160 0.7160 0.7425 0.7425 1.9038 1.9038 1.9859 1.9859 2.7532 2.7532 3.0855 3.0855 3.1464 3.1464 3.2671 3.2671 3.6785 3.6785 3.7358 3.7358 3.8194 3.8194 4.5820 4.5820 4.6200 4.6200 4.8601 4.8601 4.8790 4.8790 5.0985 5.0985 5.2070 5.2070 5.4487 5.4487 6.0417 6.0417 6.2411 6.2411 6.2884 6.2884 7.1071 7.1071 8.5872 8.5872 8.9074 8.9074 10.4980 10.4980 10.9302 10.9302 11.0630 11.0630 k = 0.0000 0.0000 0.8439 ( 6476 PWs) bands (ev): -7.6044 -7.6044 -6.8554 -6.8554 -6.8337 -6.8337 -6.8225 -6.8225 -2.4791 -2.4791 -2.4169 -2.4169 -2.0466 -2.0466 -1.7496 -1.7496 -1.7362 -1.7362 -1.6011 -1.6011 0.7160 0.7160 0.7425 0.7425 1.9038 1.9038 1.9859 1.9859 2.7532 2.7532 3.0855 3.0855 3.1464 3.1464 3.2671 3.2671 3.6785 3.6785 3.7358 3.7358 3.8194 3.8194 4.5820 4.5820 4.6200 4.6200 4.8601 4.8601 4.8790 4.8790 5.0985 5.0985 5.2070 5.2070 5.4487 5.4487 6.0417 6.0417 6.2411 6.2411 6.2884 6.2884 7.1071 7.1071 8.5872 8.5872 8.9074 8.9074 10.4980 10.4980 10.9302 10.9302 11.0630 11.0630 k =-0.0123 0.0167 0.8439 ( 6480 PWs) bands (ev): -7.6044 -7.6043 -6.8553 -6.8550 -6.8386 -6.8366 -6.8203 -6.8180 -2.4868 -2.4733 -2.4182 -2.4148 -2.0611 -2.0322 -1.7505 -1.7501 -1.7397 -1.7310 -1.6008 -1.5995 0.7158 0.7191 0.7423 0.7456 1.9031 1.9041 1.9844 1.9881 2.7514 2.7549 3.0839 3.0866 3.1449 3.1474 3.2662 3.2673 3.6572 3.6779 3.7365 3.7510 3.8198 3.8204 4.5805 4.5826 4.6120 4.6280 4.8571 4.8621 4.8779 4.8794 5.0912 5.0956 5.2059 5.2183 5.4478 5.4483 6.0382 6.0404 6.2396 6.2404 6.2808 6.2884 7.1069 7.1163 8.5882 8.5966 8.9087 8.9101 10.4972 10.5002 10.9213 10.9321 11.0550 11.0642 k =-0.0246 0.0334 0.8439 ( 6468 PWs) bands (ev): -7.6043 -7.6042 -6.8548 -6.8539 -6.8458 -6.8439 -6.8147 -6.8120 -2.4957 -2.4695 -2.4187 -2.4116 -2.0754 -2.0183 -1.7534 -1.7510 -1.7403 -1.7252 -1.5989 -1.5960 0.7182 0.7251 0.7448 0.7515 1.9018 1.9037 1.9838 1.9911 2.7497 2.7567 3.0819 3.0872 3.1428 3.1479 3.2647 3.2670 3.6276 3.6562 3.7522 3.7686 3.8215 3.8229 4.5777 4.5825 4.6048 4.6357 4.8530 4.8634 4.8765 4.8790 5.0771 5.0841 5.2140 5.2366 5.4453 5.4464 6.0299 6.0344 6.2361 6.2374 6.2664 6.2810 7.1158 7.1339 8.5992 8.6160 8.9138 8.9167 10.4976 10.5035 10.9040 10.9241 11.0356 11.0539 k =-0.0369 0.0501 0.8439 ( 6484 PWs) bands (ev): -7.6042 -7.6041 -6.8569 -6.8526 -6.8521 -6.8507 -6.8088 -6.8060 -2.5057 -2.4677 -2.4188 -2.4078 -2.0892 -2.0052 -1.7574 -1.7521 -1.7394 -1.7196 -1.5953 -1.5904 0.7233 0.7341 0.7500 0.7603 1.9001 1.9026 1.9842 1.9948 2.7478 2.7586 3.0795 3.0872 3.1402 3.1479 3.2625 3.2660 3.5939 3.6266 3.7695 3.7846 3.8243 3.8271 4.5730 4.5817 4.5989 4.6427 4.8474 4.8638 4.8749 4.8776 5.0595 5.0681 5.2272 5.2583 5.4414 5.4431 6.0165 6.0236 6.2309 6.2321 6.2464 6.2666 7.1332 7.1592 8.6196 8.6449 8.9228 8.9271 10.4988 10.5071 10.8752 10.8992 11.0165 11.0353 k =-0.0492 0.0669 0.8439 ( 6484 PWs) bands (ev): -7.6040 -7.6039 -6.8650 -6.8616 -6.8500 -6.8497 -6.8033 -6.8004 -2.5163 -2.4675 -2.4186 -2.4036 -2.1021 -1.9932 -1.7609 -1.7532 -1.7377 -1.7146 -1.5902 -1.5826 0.7309 0.7462 0.7577 0.7722 1.8978 1.9006 1.9856 1.9992 2.7455 2.7605 3.0767 3.0862 3.1372 3.1474 3.2598 3.2645 3.5575 3.5933 3.7849 3.7982 3.8284 3.8333 4.5665 4.5803 4.5946 4.6491 4.8403 4.8632 4.8734 4.8752 5.0407 5.0510 5.2426 5.2813 5.4362 5.4386 5.9981 6.0080 6.2174 6.2244 6.2293 6.2461 7.1584 7.1913 8.6484 8.6824 8.9353 8.9412 10.4997 10.5102 10.8322 10.8541 11.0077 11.0191 k =-0.0615 0.0836 0.8439 ( 6486 PWs) bands (ev): -7.6038 -7.6037 -6.8746 -6.8714 -6.8472 -6.8472 -6.7980 -6.7951 -2.5272 -2.4687 -2.4183 -2.3994 -2.1140 -1.9825 -1.7639 -1.7541 -1.7359 -1.7105 -1.5835 -1.5725 0.7409 0.7612 0.7681 0.7872 1.8949 1.8976 1.9883 2.0044 2.7428 2.7623 3.0734 3.0842 3.1338 3.1464 3.2566 3.2624 3.5193 3.5574 3.7974 3.8093 3.8335 3.8413 4.5589 4.5783 4.5915 4.6548 4.8317 4.8604 4.8719 4.8725 5.0222 5.0344 5.2588 5.3042 5.4296 5.4331 5.9747 5.9878 6.1890 6.2169 6.2208 6.2211 7.1906 7.2291 8.6843 8.7271 8.9511 8.9586 10.4993 10.5114 10.7763 10.7946 11.0077 11.0094 k =-0.0738 0.1003 0.8439 ( 6490 PWs) bands (ev): -7.6036 -7.6035 -6.8849 -6.8818 -6.8440 -6.8437 -6.7931 -6.7902 -2.5380 -2.4708 -2.4179 -2.3956 -2.1247 -1.9734 -1.7662 -1.7550 -1.7341 -1.7073 -1.5753 -1.5605 0.7532 0.7786 0.7815 0.8052 1.8912 1.8935 1.9922 2.0104 2.7391 2.7639 3.0698 3.0805 3.1299 3.1451 3.2529 3.2598 3.4802 3.5199 3.8076 3.8184 3.8393 3.8507 4.5509 4.5757 4.5890 4.6598 4.8216 4.8538 4.8706 4.8707 5.0051 5.0193 5.2750 5.3260 5.4217 5.4271 5.9464 5.9630 6.1567 6.1909 6.2096 6.2132 7.2286 7.2718 8.7257 8.7775 8.9699 8.9790 10.4961 10.5094 10.7113 10.7270 11.0063 11.0136 k =-0.0861 0.1170 0.8439 ( 6502 PWs) bands (ev): -7.6035 -7.6033 -6.8957 -6.8927 -6.8401 -6.8397 -6.7885 -6.7856 -2.5488 -2.4737 -2.4175 -2.3924 -2.1342 -1.9657 -1.7679 -1.7559 -1.7323 -1.7052 -1.5658 -1.5466 0.7677 0.7951 0.8013 0.8262 1.8868 1.8882 1.9973 2.0172 2.7343 2.7651 3.0656 3.0746 3.1257 3.1433 3.2488 3.2566 3.4413 3.4816 3.8162 3.8258 3.8453 3.8604 4.5433 4.5723 4.5867 4.6643 4.8103 4.8431 4.8695 4.8697 4.9902 5.0059 5.2907 5.3451 5.4127 5.4218 5.9138 5.9342 6.1224 6.1586 6.2015 6.2051 7.2717 7.3186 8.7710 8.8317 8.9911 9.0017 10.4885 10.5026 10.6408 10.6552 11.0093 11.0245 k =-0.0983 0.1337 0.8439 ( 6500 PWs) bands (ev): -7.6034 -7.6032 -6.9070 -6.9041 -6.8356 -6.8351 -6.7840 -6.7812 -2.5590 -2.4771 -2.4171 -2.3899 -2.1423 -1.9595 -1.7690 -1.7566 -1.7308 -1.7039 -1.5551 -1.5314 0.7844 0.8127 0.8254 0.8501 1.8814 1.8818 2.0035 2.0248 2.7278 2.7656 3.0609 3.0658 3.1213 3.1413 3.2443 3.2530 3.4042 3.4436 3.8243 3.8320 3.8516 3.8699 4.5364 4.5682 4.5844 4.6684 4.7983 4.8287 4.8685 4.8690 4.9780 4.9943 5.3057 5.3582 5.4029 5.4204 5.8773 5.9017 6.0868 6.1243 6.1934 6.1969 7.3188 7.3688 8.8183 8.8877 9.0141 9.0261 10.4743 10.4892 10.5681 10.5817 11.0183 11.0403 k =-0.1106 0.1504 0.8439 ( 6498 PWs) bands (ev): -7.6034 -7.6032 -6.9188 -6.9159 -6.8306 -6.8300 -6.7798 -6.7769 -2.5687 -2.4809 -2.4168 -2.3881 -2.1492 -1.9545 -1.7696 -1.7572 -1.7294 -1.7034 -1.5435 -1.5151 0.8032 0.8324 0.8526 0.8770 1.8741 1.8750 2.0109 2.0333 2.7191 2.7651 3.0530 3.0557 3.1165 3.1390 3.2395 3.2489 3.3707 3.4069 3.8321 3.8369 3.8582 3.8788 4.5304 4.5632 4.5818 4.6723 4.7858 4.8114 4.8677 4.8685 4.9684 4.9843 5.3193 5.3613 5.3927 5.4268 5.8375 5.8663 6.0507 6.0889 6.1852 6.1887 7.3692 7.4217 8.8659 8.9435 9.0382 9.0514 10.4494 10.4660 10.4979 10.5102 11.0336 11.0611 k =-0.1229 0.1671 0.8439 ( 6486 PWs) bands (ev): -7.6035 -7.6033 -6.9309 -6.9281 -6.8251 -6.8244 -6.7756 -6.7728 -2.5777 -2.4847 -2.4165 -2.3870 -2.1548 -1.9507 -1.7699 -1.7578 -1.7283 -1.7035 -1.5314 -1.4983 0.8241 0.8541 0.8827 0.9066 1.8653 1.8676 2.0194 2.0426 2.7076 2.7630 3.0356 3.0497 3.1117 3.1365 3.2346 3.2444 3.3425 3.3725 3.8399 3.8403 3.8655 3.8869 4.5256 4.5574 4.5791 4.6761 4.7733 4.7917 4.8672 4.8679 4.9610 4.9756 5.3303 5.3552 5.3836 5.4402 5.7952 5.8285 6.0145 6.0530 6.1770 6.1804 7.4223 7.4768 8.9122 8.9967 9.0628 9.0764 10.4018 10.4204 10.4430 10.4537 11.0548 11.0866 k =-0.1352 0.1839 0.8439 ( 6486 PWs) bands (ev): -7.6037 -7.6035 -6.9434 -6.9406 -6.8191 -6.8183 -6.7715 -6.7688 -2.5860 -2.4886 -2.4163 -2.3865 -2.1595 -1.9479 -1.7699 -1.7583 -1.7275 -1.7042 -1.5193 -1.4814 0.8469 0.8779 0.9156 0.9388 1.8553 1.8591 2.0287 2.0526 2.6928 2.7585 3.0135 3.0432 3.1068 3.1337 3.2294 3.2398 3.3207 3.3415 3.8423 3.8477 3.8737 3.8943 4.5221 4.5506 4.5761 4.6800 4.7612 4.7705 4.8668 4.8670 4.9554 4.9681 5.3353 5.3439 5.3788 5.4565 5.7510 5.7890 5.9787 6.0171 6.1687 6.1721 7.4774 7.5334 8.9554 9.0450 9.0874 9.1001 10.3360 10.3545 10.3995 10.4106 11.0809 11.1156 k =-0.1352 0.1839 0.8439 ( 6486 PWs) bands (ev): -7.6037 -7.6035 -6.9434 -6.9406 -6.8191 -6.8183 -6.7715 -6.7688 -2.5860 -2.4886 -2.4163 -2.3865 -2.1595 -1.9479 -1.7699 -1.7583 -1.7275 -1.7042 -1.5193 -1.4814 0.8469 0.8779 0.9156 0.9388 1.8553 1.8591 2.0287 2.0526 2.6928 2.7585 3.0135 3.0432 3.1068 3.1337 3.2294 3.2398 3.3207 3.3415 3.8423 3.8477 3.8737 3.8943 4.5221 4.5506 4.5761 4.6800 4.7612 4.7705 4.8668 4.8670 4.9554 4.9681 5.3353 5.3439 5.3788 5.4565 5.7510 5.7890 5.9787 6.0171 6.1687 6.1721 7.4774 7.5334 8.9554 9.0450 9.0874 9.1001 10.3360 10.3545 10.3995 10.4106 11.0809 11.1156 k =-0.1443 0.1963 0.8285 ( 6489 PWs) bands (ev): -7.6043 -7.6041 -6.9528 -6.9500 -6.8153 -6.8142 -6.7675 -6.7647 -2.5917 -2.4919 -2.4161 -2.3864 -2.1622 -1.9467 -1.7698 -1.7585 -1.7270 -1.7049 -1.5102 -1.4690 0.8660 0.8978 0.9423 0.9647 1.8481 1.8529 2.0349 2.0596 2.6796 2.7535 2.9943 3.0375 3.1028 3.1308 3.2253 3.2363 3.3084 3.3222 3.8416 3.8536 3.8764 3.9014 4.5202 4.5449 4.5741 4.6827 4.7479 4.7588 4.8638 4.8685 4.9516 4.9638 5.3308 5.3335 5.3805 5.4684 5.7177 5.7593 5.9534 5.9912 6.1599 6.1658 7.5211 7.5781 8.9856 9.0761 9.1077 9.1181 10.2733 10.2994 10.3686 10.3921 11.0987 11.1341 k =-0.1535 0.2087 0.8131 ( 6492 PWs) bands (ev): -7.6056 -7.6054 -6.9619 -6.9591 -6.8132 -6.8114 -6.7615 -6.7583 -2.5971 -2.4958 -2.4158 -2.3863 -2.1643 -1.9466 -1.7699 -1.7584 -1.7264 -1.7058 -1.5012 -1.4569 0.8878 0.9205 0.9712 0.9928 1.8422 1.8478 2.0392 2.0651 2.6646 2.7464 2.9731 3.0306 3.0984 3.1263 3.2203 3.2323 3.2976 3.3088 3.8401 3.8572 3.8750 3.9090 4.5185 4.5385 4.5726 4.6847 4.7299 4.7529 4.8597 4.8697 4.9473 4.9616 5.3184 5.3228 5.3845 5.4784 5.6847 5.7296 5.9305 5.9667 6.1482 6.1588 7.5690 7.6266 9.0147 9.1025 9.1312 9.1377 10.2010 10.2298 10.3540 10.3827 11.1112 11.1459 k =-0.1626 0.2211 0.7977 ( 6495 PWs) bands (ev): -7.6075 -7.6073 -6.9708 -6.9681 -6.8124 -6.8102 -6.7535 -6.7499 -2.6021 -2.5004 -2.4154 -2.3863 -2.1655 -1.9474 -1.7701 -1.7577 -1.7257 -1.7069 -1.4921 -1.4451 0.9124 0.9459 1.0024 1.0227 1.8376 1.8438 2.0417 2.0689 2.6468 2.7357 2.9516 3.0229 3.0936 3.1202 3.2145 3.2274 3.2878 3.3026 3.8387 3.8580 3.8717 3.9145 4.5168 4.5319 4.5716 4.6836 4.7140 4.7487 4.8543 4.8702 4.9424 4.9617 5.3047 5.3104 5.3878 5.4856 5.6520 5.7000 5.9097 5.9434 6.1351 6.1515 7.6199 7.6781 9.0424 9.1246 9.1542 9.1595 10.1262 10.1542 10.3492 10.3786 11.1185 11.1523 k =-0.1717 0.2335 0.7824 ( 6495 PWs) bands (ev): -7.6098 -7.6096 -6.9794 -6.9767 -6.8126 -6.8101 -6.7441 -6.7402 -2.6067 -2.5054 -2.4150 -2.3862 -2.1660 -1.9493 -1.7707 -1.7567 -1.7249 -1.7080 -1.4832 -1.4338 0.9398 0.9739 1.0355 1.0544 1.8342 1.8408 2.0427 2.0710 2.6259 2.7197 2.9320 3.0146 3.0882 3.1129 3.2079 3.2210 3.2814 3.3011 3.8375 3.8554 3.8680 3.9173 4.5137 4.5267 4.5709 4.6742 4.7064 4.7459 4.8474 4.8699 4.9373 4.9642 5.2917 5.2974 5.3891 5.4895 5.6198 5.6705 5.8909 5.9211 6.1220 6.1446 7.6730 7.7316 9.0688 9.1435 9.1731 9.1830 10.0515 10.0771 10.3519 10.3798 11.1210 11.1545 k =-0.1808 0.2459 0.7670 ( 6494 PWs) bands (ev): -7.6125 -7.6123 -6.9877 -6.9850 -6.8134 -6.8108 -6.7338 -6.7297 -2.6109 -2.5109 -2.4147 -2.3862 -2.1657 -1.9519 -1.7715 -1.7554 -1.7240 -1.7092 -1.4745 -1.4231 0.9698 1.0045 1.0705 1.0876 1.8318 1.8387 2.0424 2.0716 2.6013 2.6972 2.9158 3.0060 3.0821 3.1044 3.2003 3.2131 3.2793 3.3031 3.8367 3.8491 3.8649 3.9174 4.5074 4.5251 4.5703 4.6575 4.7062 4.7443 4.8392 4.8683 4.9327 4.9687 5.2803 5.2854 5.3880 5.4891 5.5887 5.6410 5.8733 5.8994 6.1100 6.1391 7.7272 7.7863 9.0942 9.1591 9.1885 9.2048 9.9791 10.0012 10.3616 10.3866 11.1195 11.1534 k =-0.1899 0.2583 0.7516 ( 6494 PWs) bands (ev): -7.6156 -7.6154 -6.9956 -6.9929 -6.8146 -6.8120 -6.7229 -6.7187 -2.6146 -2.5168 -2.4144 -2.3861 -2.1645 -1.9553 -1.7724 -1.7540 -1.7229 -1.7104 -1.4660 -1.4131 1.0024 1.0372 1.1072 1.1220 1.8303 1.8373 2.0411 2.0707 2.5730 2.6678 2.9034 2.9973 3.0753 3.0952 3.1916 3.2043 3.2805 3.3078 3.8351 3.8405 3.8620 3.9151 4.4990 4.5264 4.5697 4.6392 4.7084 4.7438 4.8295 4.8651 4.9292 4.9751 5.2706 5.2758 5.3841 5.4836 5.5596 5.6116 5.8564 5.8783 6.1000 6.1352 7.7815 7.8411 9.1192 9.1703 9.1991 9.2244 9.9110 9.9288 10.3779 10.3987 11.1151 11.1498 k =-0.1991 0.2707 0.7362 ( 6500 PWs) bands (ev): -7.6188 -7.6186 -7.0031 -7.0004 -6.8160 -6.8135 -6.7119 -6.7076 -2.6178 -2.5229 -2.4143 -2.3861 -2.1627 -1.9594 -1.7735 -1.7527 -1.7218 -1.7117 -1.4579 -1.4038 1.0372 1.0720 1.1453 1.1575 1.8296 1.8367 2.0390 2.0684 2.5409 2.6325 2.8945 2.9887 3.0675 3.0850 3.1818 3.1954 3.2844 3.3149 3.8252 3.8382 3.8586 3.9111 4.4897 4.5293 4.5685 4.6214 4.7113 4.7439 4.8188 4.8599 4.9278 4.9833 5.2628 5.2696 5.3776 5.4715 5.5339 5.5824 5.8397 5.8577 6.0925 6.1330 7.8349 7.8949 9.1447 9.1751 9.2038 9.2431 9.8491 9.8617 10.3998 10.4154 11.1092 11.1446 k =-0.2082 0.2831 0.7208 ( 6510 PWs) bands (ev): -7.6221 -7.6219 -7.0101 -7.0074 -6.8175 -6.8150 -6.7009 -6.6966 -2.6206 -2.5291 -2.4142 -2.3862 -2.1601 -1.9640 -1.7746 -1.7514 -1.7205 -1.7130 -1.4503 -1.3952 1.0743 1.1084 1.1847 1.1938 1.8295 1.8366 2.0363 2.0648 2.5054 2.5924 2.8879 2.9803 3.0588 3.0738 3.1711 3.1866 3.2900 3.3240 3.8110 3.8389 3.8540 3.9063 4.4802 4.5334 4.5659 4.6060 4.7146 4.7445 4.8075 4.8529 4.9286 4.9932 5.2568 5.2667 5.3685 5.4519 5.5127 5.5535 5.8232 5.8380 6.0877 6.1326 7.8861 7.9466 9.1704 9.1732 9.2011 9.2629 9.7950 9.8017 10.4253 10.4353 11.1029 11.1389 k =-0.2173 0.2955 0.7054 ( 6514 PWs) bands (ev): -7.6255 -7.6253 -7.0167 -7.0140 -6.8190 -6.8167 -6.6902 -6.6858 -2.6228 -2.5354 -2.4142 -2.3862 -2.1570 -1.9690 -1.7756 -1.7503 -1.7192 -1.7143 -1.4432 -1.3873 1.1131 1.1463 1.2246 1.2311 1.8300 1.8369 2.0331 2.0602 2.4670 2.5488 2.8829 2.9721 3.0492 3.0616 3.1600 3.1780 3.2969 3.3346 3.7953 3.8395 3.8481 3.9021 4.4710 4.5375 4.5609 4.5952 4.7182 4.7449 4.7963 4.8448 4.9317 5.0045 5.2528 5.2667 5.3571 5.4266 5.4946 5.5251 5.8070 5.8197 6.0854 6.1335 7.9342 7.9950 9.1600 9.1906 9.2016 9.2851 9.7487 9.7507 10.4506 10.4577 11.0974 11.1340 k =-0.2264 0.3079 0.6900 ( 6520 PWs) bands (ev): -7.6288 -7.6286 -7.0228 -7.0201 -6.8205 -6.8183 -6.6798 -6.6754 -2.6246 -2.5416 -2.4143 -2.3863 -2.1532 -1.9744 -1.7766 -1.7494 -1.7177 -1.7155 -1.4366 -1.3802 1.1535 1.1851 1.2635 1.2701 1.8309 1.8376 2.0296 2.0547 2.4263 2.5029 2.8786 2.9642 3.0385 3.0481 3.1491 3.1696 3.3047 3.3462 3.7789 3.8346 3.8458 3.8992 4.4621 4.5374 4.5563 4.5904 4.7221 4.7447 4.7860 4.8364 4.9366 5.0172 5.2500 5.2691 5.3440 5.3987 5.4773 5.4974 5.7915 5.8030 6.0853 6.1354 7.9781 8.0391 9.1412 9.1730 9.2345 9.3106 9.7064 9.7131 10.4700 10.4822 11.0940 11.1313 k =-0.2355 0.3203 0.6746 ( 6510 PWs) bands (ev): -7.6320 -7.6318 -7.0284 -7.0257 -6.8220 -6.8199 -6.6701 -6.6656 -2.6259 -2.5477 -2.4143 -2.3864 -2.1490 -1.9799 -1.7775 -1.7487 -1.7167 -1.7161 -1.4306 -1.3738 1.1948 1.2244 1.3005 1.3114 1.8322 1.8386 2.0258 2.0484 2.3840 2.4555 2.8749 2.9564 3.0263 3.0337 3.1388 3.1616 3.3132 3.3583 3.7625 3.8233 3.8481 3.8982 4.4539 4.5281 4.5582 4.5907 4.7260 4.7434 4.7776 4.8285 4.9427 5.0310 5.2472 5.2730 5.3301 5.3708 5.4596 5.4704 5.7771 5.7881 6.0868 6.1380 8.0170 8.0780 9.1173 9.1495 9.2714 9.3397 9.6717 9.6843 10.4819 10.5033 11.0935 11.1320 k =-0.2447 0.3327 0.6592 ( 6515 PWs) bands (ev): -7.6350 -7.6348 -7.0335 -7.0308 -6.8234 -6.8215 -6.6611 -6.6566 -2.6267 -2.5536 -2.4145 -2.3865 -2.1445 -1.9857 -1.7784 -1.7481 -1.7178 -1.7148 -1.4252 -1.3681 1.2364 1.2637 1.3360 1.3534 1.8336 1.8396 2.0217 2.0415 2.3408 2.4073 2.8715 2.9490 3.0118 3.0196 3.1294 3.1541 3.3219 3.3705 3.7466 3.8097 3.8516 3.8986 4.4465 4.5149 4.5621 4.5949 4.7294 4.7408 4.7718 4.8217 4.9495 5.0458 5.2425 5.2775 5.3159 5.3460 5.4409 5.4445 5.7642 5.7750 6.0895 6.1410 8.0503 8.1110 9.0907 9.1222 9.3126 9.3725 9.6442 9.6626 10.4846 10.5164 11.0964 11.1365 k =-0.2538 0.3451 0.6438 ( 6509 PWs) bands (ev): -7.6378 -7.6377 -7.0380 -7.0353 -6.8246 -6.8228 -6.6528 -6.6483 -2.6271 -2.5593 -2.4146 -2.3867 -2.1397 -1.9915 -1.7791 -1.7477 -1.7188 -1.7134 -1.4203 -1.3631 1.2774 1.3025 1.3702 1.3951 1.8351 1.8406 2.0174 2.0343 2.2977 2.3591 2.8686 2.9421 2.9948 3.0062 3.1210 3.1474 3.3306 3.3824 3.7318 3.7952 3.8555 3.9000 4.4401 4.5011 4.5651 4.6026 4.7303 4.7388 4.7687 4.8166 4.9564 5.0616 5.2343 5.2798 5.3011 5.3298 5.4191 5.4222 5.7531 5.7636 6.0929 6.1440 8.0778 8.1378 9.0637 9.0935 9.3577 9.4087 9.6229 9.6467 10.4761 10.5192 11.1023 11.1442 k =-0.2629 0.3575 0.6284 ( 6518 PWs) bands (ev): -7.6403 -7.6402 -7.0419 -7.0392 -6.8257 -6.8241 -6.6455 -6.6410 -2.6271 -2.5646 -2.4148 -2.3869 -2.1348 -1.9972 -1.7798 -1.7474 -1.7198 -1.7122 -1.4162 -1.3589 1.3167 1.3402 1.4028 1.4358 1.8365 1.8415 2.0128 2.0272 2.2555 2.3117 2.8664 2.9358 2.9766 2.9932 3.1137 3.1415 3.3389 3.3935 3.7185 3.7806 3.8596 3.9021 4.4348 4.4878 4.5668 4.6125 4.7267 4.7401 4.7675 4.8135 4.9626 5.0780 5.2227 5.2688 5.2951 5.3239 5.3953 5.4032 5.7438 5.7539 6.0966 6.1469 8.0994 8.1586 9.0385 9.0653 9.4056 9.4475 9.6064 9.6361 10.4566 10.5110 11.1097 11.1531 k =-0.2720 0.3699 0.6130 ( 6525 PWs) bands (ev): -7.6425 -7.6424 -7.0453 -7.0426 -6.8267 -6.8252 -6.6391 -6.6346 -2.6269 -2.5694 -2.4149 -2.3871 -2.1301 -2.0026 -1.7804 -1.7471 -1.7206 -1.7111 -1.4127 -1.3554 1.3528 1.3757 1.4340 1.4742 1.8379 1.8423 2.0077 2.0210 2.2157 2.2658 2.8651 2.9303 2.9582 2.9807 3.1075 3.1366 3.3465 3.4035 3.7070 3.7667 3.8636 3.9045 4.4307 4.4754 4.5678 4.6236 4.7218 4.7424 4.7672 4.8125 4.9674 5.0950 5.2095 5.2486 5.2968 5.3239 5.3730 5.3855 5.7364 5.7457 6.1002 6.1496 8.1158 8.1738 9.0162 9.0394 9.4540 9.4876 9.5940 9.6305 10.4276 10.4932 11.1171 11.1611 k =-0.2811 0.3823 0.5976 ( 6517 PWs) bands (ev): -7.6444 -7.6443 -7.0481 -7.0453 -6.8275 -6.8261 -6.6339 -6.6293 -2.6264 -2.5737 -2.4150 -2.3873 -2.1256 -2.0075 -1.7808 -1.7470 -1.7213 -1.7101 -1.4097 -1.3525 1.3844 1.4073 1.4639 1.5088 1.8389 1.8429 2.0022 2.0160 2.1797 2.2226 2.8651 2.9258 2.9406 2.9689 3.1026 3.1326 3.3532 3.4121 3.6978 3.7541 3.8673 3.9069 4.4281 4.4641 4.5683 4.6344 4.7174 4.7445 4.7672 4.8134 4.9703 5.1122 5.1966 5.2294 5.2973 5.3263 5.3531 5.3705 5.7308 5.7389 6.1036 6.1519 8.1274 8.1843 8.9978 9.0169 9.4975 9.5277 9.5855 9.6309 10.3924 10.4690 11.1233 11.1671 k =-0.2903 0.3947 0.5823 ( 6514 PWs) bands (ev): -7.6458 -7.6457 -7.0502 -7.0475 -6.8281 -6.8269 -6.6297 -6.6252 -2.6257 -2.5772 -2.4151 -2.3874 -2.1217 -2.0118 -1.7811 -1.7469 -1.7218 -1.7094 -1.4075 -1.3502 1.4107 1.4327 1.4925 1.5376 1.8398 1.8432 1.9971 2.0125 2.1493 2.1837 2.8666 2.9205 2.9262 2.9584 3.0988 3.1295 3.3588 3.4191 3.6907 3.7434 3.8704 3.9091 4.4270 4.4542 4.5686 4.6441 4.7140 4.7464 4.7672 4.8155 4.9713 5.1291 5.1854 5.2136 5.2943 5.3277 5.3377 5.3598 5.7268 5.7335 6.1065 6.1537 8.1353 8.1910 8.9838 8.9984 9.5290 9.5615 9.5864 9.6385 10.3553 10.4425 11.1278 11.1708 k =-0.2994 0.4071 0.5669 ( 6510 PWs) bands (ev): -7.6469 -7.6468 -7.0518 -7.0490 -6.8286 -6.8274 -6.6267 -6.6221 -2.6251 -2.5799 -2.4152 -2.3875 -2.1186 -2.0151 -1.7814 -1.7468 -1.7222 -1.7088 -1.4059 -1.3486 1.4307 1.4505 1.5181 1.5586 1.8404 1.8434 1.9932 2.0104 2.1265 2.1511 2.8701 2.9078 2.9224 2.9499 3.0962 3.1274 3.3629 3.4242 3.6858 3.7353 3.8728 3.9108 4.4274 4.4457 4.5687 4.6516 4.7117 4.7481 4.7670 4.8178 4.9709 5.1447 5.1769 5.2016 5.2882 5.3197 5.3354 5.3537 5.7244 5.7294 6.1086 6.1551 8.1401 8.1950 8.9744 8.9844 9.5467 9.5666 9.6138 9.6518 10.3219 10.4185 11.1307 11.1728 k =-0.3085 0.4195 0.5515 ( 6506 PWs) bands (ev): -7.6475 -7.6474 -7.0527 -7.0500 -6.8288 -6.8277 -6.6249 -6.6203 -2.6247 -2.5816 -2.4152 -2.3876 -2.1166 -2.0172 -1.7815 -1.7468 -1.7224 -1.7085 -1.4049 -1.3477 1.4433 1.4608 1.5372 1.5704 1.8410 1.8433 1.9910 2.0093 2.1135 2.1279 2.8756 2.8954 2.9216 2.9442 3.0946 3.1261 3.3655 3.4273 3.6831 3.7301 3.8744 3.9119 4.4295 4.4387 4.5688 4.6563 4.7104 4.7493 4.7669 4.8196 4.9700 5.1562 5.1737 5.1919 5.2822 5.3115 5.3372 5.3510 5.7232 5.7267 6.1100 6.1559 8.1427 8.1970 8.9696 8.9751 9.5549 9.5645 9.6390 9.6642 10.2982 10.4017 11.1323 11.1738 k =-0.3176 0.4319 0.5361 ( 6510 PWs) bands (ev): -7.6478 -7.6477 -7.0530 -7.0503 -6.8289 -6.8278 -6.6243 -6.6197 -2.6245 -2.5822 -2.4152 -2.3876 -2.1159 -2.0180 -1.7815 -1.7468 -1.7225 -1.7084 -1.4046 -1.3474 1.4477 1.4641 1.5446 1.5738 1.8413 1.8431 1.9904 2.0089 2.1102 2.1184 2.8810 2.8876 2.9215 2.9421 3.0940 3.1257 3.3663 3.4283 3.6822 3.7283 3.8749 3.9122 4.4332 4.4333 4.5688 4.6578 4.7100 4.7498 4.7668 4.8202 4.9696 5.1593 5.1767 5.1856 5.2797 5.3085 5.3379 5.3503 5.7229 5.7256 6.1105 6.1562 8.1435 8.1976 8.9687 8.9712 9.5576 9.5632 9.6483 9.6693 10.2895 10.3956 11.1328 11.1740 k =-0.3176 0.4319 0.5361 ( 6510 PWs) bands (ev): -7.6478 -7.6477 -7.0530 -7.0503 -6.8289 -6.8278 -6.6243 -6.6197 -2.6245 -2.5822 -2.4152 -2.3876 -2.1159 -2.0180 -1.7815 -1.7468 -1.7225 -1.7084 -1.4046 -1.3474 1.4477 1.4641 1.5446 1.5738 1.8413 1.8431 1.9904 2.0089 2.1102 2.1184 2.8810 2.8876 2.9215 2.9421 3.0940 3.1257 3.3663 3.4283 3.6822 3.7283 3.8749 3.9122 4.4332 4.4333 4.5688 4.6578 4.7100 4.7498 4.7668 4.8202 4.9696 5.1593 5.1767 5.1856 5.2797 5.3085 5.3379 5.3503 5.7229 5.7256 6.1105 6.1562 8.1435 8.1976 8.9687 8.9712 9.5576 9.5632 9.6483 9.6693 10.2895 10.3956 11.1328 11.1740 k =-0.3085 0.4195 0.5208 ( 6508 PWs) bands (ev): -7.6527 -7.6526 -7.0382 -7.0354 -6.8367 -6.8355 -6.6238 -6.6191 -2.6283 -2.5910 -2.4132 -2.3871 -2.1111 -2.0263 -1.7792 -1.7484 -1.7197 -1.7072 -1.3945 -1.3471 1.4226 1.4423 1.5663 1.5933 1.8711 1.8782 1.9741 1.9940 2.0922 2.0955 2.8598 2.8701 2.9038 2.9248 3.0858 3.1232 3.3746 3.4391 3.6535 3.6974 3.8576 3.8938 4.4413 4.4414 4.5877 4.6494 4.7105 4.7485 4.7822 4.8157 4.9792 5.1605 5.2095 5.2115 5.2604 5.2917 5.3595 5.3635 5.7417 5.7417 6.1021 6.1469 8.1360 8.1913 8.9955 8.9957 9.5877 9.5950 9.6875 9.7083 10.4274 10.5282 11.1179 11.1487 k =-0.2995 0.4072 0.5054 ( 6484 PWs) bands (ev): -7.6591 -7.6590 -7.0231 -7.0201 -6.8427 -6.8416 -6.6234 -6.6186 -2.6311 -2.5990 -2.4109 -2.3866 -2.1061 -2.0349 -1.7768 -1.7500 -1.7168 -1.7061 -1.3865 -1.3493 1.3980 1.4196 1.5922 1.6139 1.8888 1.9121 1.9639 1.9872 2.0729 2.0783 2.8364 2.8499 2.8863 2.9078 3.0796 3.1216 3.3831 3.4493 3.6262 3.6674 3.8417 3.8767 4.4491 4.4492 4.6072 4.6409 4.7099 4.7481 4.7985 4.8114 4.9883 5.1523 5.2206 5.2430 5.2510 5.2921 5.3818 5.3838 5.7550 5.7574 6.0900 6.1334 8.1278 8.1835 9.0218 9.0236 9.6127 9.6212 9.7241 9.7446 10.5699 10.6645 11.0990 11.1194 k =-0.2904 0.3948 0.4901 ( 6482 PWs) bands (ev): -7.6670 -7.6669 -7.0076 -7.0045 -6.8471 -6.8460 -6.6230 -6.6181 -2.6331 -2.6063 -2.4087 -2.3864 -2.1010 -2.0439 -1.7745 -1.7517 -1.7142 -1.7051 -1.3805 -1.3537 1.3740 1.3971 1.6209 1.6349 1.8906 1.9258 1.9761 1.9878 2.0522 2.0752 2.8114 2.8277 2.8682 2.8907 3.0754 3.1207 3.3915 3.4586 3.6002 3.6384 3.8274 3.8609 4.4564 4.4567 4.6259 4.6334 4.7085 4.7482 4.8065 4.8155 4.9965 5.1357 5.2086 5.2468 5.2817 5.3164 5.4029 5.4104 5.7647 5.7695 6.0742 6.1159 8.1194 8.1745 9.0490 9.0525 9.6335 9.6427 9.7577 9.7777 10.7156 10.8009 11.0761 11.0840 k =-0.2813 0.3825 0.4748 ( 6488 PWs) bands (ev): -7.6763 -7.6762 -6.9918 -6.9887 -6.8498 -6.8486 -6.6226 -6.6176 -2.6342 -2.6129 -2.4065 -2.3863 -2.0958 -2.0534 -1.7723 -1.7536 -1.7117 -1.7042 -1.3764 -1.3604 1.3510 1.3753 1.6517 1.6553 1.8808 1.9205 1.9839 2.0006 2.0430 2.0908 2.7854 2.8045 2.8492 2.8733 3.0731 3.1205 3.3996 3.4670 3.5755 3.6104 3.8147 3.8466 4.4634 4.4640 4.6233 4.6473 4.7065 4.7490 4.8026 4.8310 5.0034 5.1137 5.1915 5.2513 5.3191 5.3499 5.4262 5.4386 5.7704 5.7775 6.0551 6.0946 8.1114 8.1651 9.0768 9.0814 9.6512 9.6605 9.7881 9.8073 10.8602 10.9180 11.0436 11.0652 k =-0.2722 0.3702 0.4595 ( 6492 PWs) bands (ev): -7.6872 -7.6870 -6.9758 -6.9726 -6.8506 -6.8494 -6.6223 -6.6171 -2.6343 -2.6188 -2.4044 -2.3864 -2.0905 -2.0632 -1.7702 -1.7554 -1.7093 -1.7034 -1.3743 -1.3692 1.3292 1.3545 1.6736 1.6834 1.8671 1.9143 1.9715 1.9938 2.0719 2.1225 2.7591 2.7807 2.8291 2.8554 3.0725 3.1210 3.4073 3.4743 3.5520 3.5835 3.8038 3.8339 4.4703 4.4712 4.6151 4.6666 4.7042 4.7505 4.7989 4.8454 5.0080 5.0897 5.1769 5.2595 5.3579 5.3860 5.4515 5.4679 5.7719 5.7813 6.0332 6.0700 8.1045 8.1558 9.1043 9.1093 9.6667 9.6759 9.8152 9.8331 10.9346 10.9450 11.0544 11.1446 k =-0.2632 0.3578 0.4442 ( 6496 PWs) bands (ev): -7.6994 -7.6992 -6.9596 -6.9564 -6.8497 -6.8485 -6.6219 -6.6167 -2.6336 -2.6239 -2.4022 -2.3867 -2.0852 -2.0734 -1.7682 -1.7573 -1.7072 -1.7027 -1.3799 -1.3739 1.3087 1.3350 1.6883 1.7139 1.8544 1.9115 1.9547 1.9754 2.1164 2.1628 2.7332 2.7571 2.8079 2.8369 3.0734 3.1222 3.4144 3.4803 3.5298 3.5577 3.7946 3.8228 4.4770 4.4784 4.6071 4.6853 4.7016 4.7525 4.7956 4.8578 5.0088 5.0651 5.1683 5.2700 5.3979 5.4224 5.4788 5.4974 5.7689 5.7805 6.0096 6.0430 8.0989 8.1471 9.1305 9.1352 9.6811 9.6897 9.8391 9.8554 10.8799 10.8931 11.1913 11.2833 k =-0.2541 0.3455 0.4289 ( 6508 PWs) bands (ev): -7.7128 -7.7127 -6.9433 -6.9400 -6.8471 -6.8459 -6.6216 -6.6163 -2.6319 -2.6283 -2.4002 -2.3871 -2.0840 -2.0798 -1.7664 -1.7593 -1.7052 -1.7021 -1.3924 -1.3751 1.2898 1.3169 1.6980 1.7384 1.8484 1.9117 1.9364 1.9581 2.1646 2.2077 2.7083 2.7340 2.7859 2.8180 3.0755 3.1240 3.4208 3.4846 3.5088 3.5334 3.7872 3.8133 4.4835 4.4855 4.5993 4.6988 4.7030 4.7554 4.7926 4.8679 5.0045 5.0409 5.1679 5.2822 5.4390 5.4567 5.5083 5.5261 5.7615 5.7751 5.9856 6.0146 8.0951 8.1395 9.1541 9.1577 9.6951 9.7030 9.8604 9.8744 10.8026 10.8137 11.3443 11.4318 k =-0.2450 0.3331 0.4135 ( 6504 PWs) bands (ev): -7.7275 -7.7273 -6.9270 -6.9236 -6.8430 -6.8417 -6.6213 -6.6159 -2.6319 -2.6293 -2.3981 -2.3875 -2.0950 -2.0744 -1.7648 -1.7612 -1.7035 -1.7016 -1.4064 -1.3779 1.2727 1.3004 1.7022 1.7492 1.8567 1.9083 1.9180 1.9501 2.2149 2.2554 2.6853 2.7121 2.7633 2.7988 3.0787 3.1264 3.4264 3.4853 3.4890 3.5124 3.7816 3.8053 4.4899 4.4925 4.5917 4.6957 4.7192 4.7593 4.7899 4.8753 4.9953 5.0174 5.1761 5.2960 5.4811 5.4861 5.5414 5.5525 5.7498 5.7650 5.9630 5.9866 8.0932 8.1331 9.1739 9.1754 9.7092 9.7161 9.8799 9.8908 10.7117 10.7221 11.4951 11.5264 k =-0.2359 0.3208 0.3982 ( 6500 PWs) bands (ev): -7.7431 -7.7429 -6.9106 -6.9071 -6.8374 -6.8361 -6.6211 -6.6156 -2.6349 -2.6257 -2.3962 -2.3881 -2.1064 -2.0691 -1.7633 -1.7631 -1.7019 -1.7012 -1.4217 -1.3820 1.2575 1.2858 1.7013 1.7450 1.8765 1.8945 1.9036 1.9575 2.2665 2.3050 2.6649 2.6917 2.7403 2.7793 3.0826 3.1292 3.4310 3.4703 3.4756 3.5016 3.7776 3.7989 4.4962 4.4994 4.5845 4.6926 4.7333 4.7646 4.7875 4.8798 4.9827 4.9950 5.1915 5.3114 5.5075 5.5232 5.5747 5.5784 5.7343 5.7502 5.9446 5.9616 8.0930 8.1280 9.1872 9.1886 9.7236 9.7295 9.8985 9.9056 10.6114 10.6218 11.4680 11.5224 k =-0.2269 0.3085 0.3829 ( 6502 PWs) bands (ev): -7.7595 -7.7594 -6.8942 -6.8907 -6.8305 -6.8292 -6.6208 -6.6153 -2.6371 -2.6213 -2.3944 -2.3887 -2.1183 -2.0638 -1.7651 -1.7621 -1.7009 -1.7005 -1.4383 -1.3873 1.2444 1.2730 1.6965 1.7327 1.8731 1.8755 1.9204 1.9732 2.3189 2.3559 2.6483 2.6735 2.7172 2.7597 3.0872 3.1325 3.4341 3.4532 3.4564 3.4998 3.7752 3.7941 4.5024 4.5063 4.5777 4.6894 4.7445 4.7718 4.7853 4.8814 4.9684 4.9737 5.2126 5.3284 5.5187 5.5598 5.5946 5.6188 5.7156 5.7310 5.9332 5.9431 8.0942 8.1239 9.1919 9.1972 9.7384 9.7429 9.9173 9.9198 10.5050 10.5156 11.4008 11.4550 k =-0.2178 0.2961 0.3676 ( 6496 PWs) bands (ev): -7.7766 -7.7765 -6.8779 -6.8744 -6.8224 -6.8211 -6.6206 -6.6151 -2.6387 -2.6160 -2.3928 -2.3894 -2.1304 -2.0587 -1.7669 -1.7612 -1.7007 -1.6993 -1.4556 -1.3937 1.2335 1.2625 1.6892 1.7173 1.8551 1.8555 1.9542 1.9914 2.3713 2.4077 2.6368 2.6581 2.6946 2.7403 3.0923 3.1361 3.4313 3.4357 3.4422 3.4992 3.7743 3.7906 4.5085 4.5130 4.5713 4.6860 4.7526 4.7808 4.7831 4.8800 4.9536 4.9537 5.2380 5.3471 5.5184 5.5712 5.6283 5.6615 5.6942 5.7077 5.9317 5.9349 8.0962 8.1202 9.1891 9.1991 9.7528 9.7556 9.9344 9.9369 10.3959 10.4064 11.3262 11.3785 k =-0.2087 0.2838 0.3523 ( 6486 PWs) bands (ev): -7.7943 -7.7941 -6.8618 -6.8582 -6.8133 -6.8120 -6.6204 -6.6148 -2.6395 -2.6097 -2.3914 -2.3902 -2.1429 -2.0537 -1.7687 -1.7605 -1.7007 -1.6984 -1.4737 -1.4011 1.2250 1.2541 1.6802 1.7009 1.8344 1.8367 1.9891 2.0091 2.4221 2.4596 2.6322 2.6457 2.6733 2.7212 3.0979 3.1399 3.4153 3.4181 3.4419 3.4980 3.7747 3.7885 4.5145 4.5192 4.5654 4.6827 4.7586 4.7808 4.7904 4.8757 4.9349 4.9398 5.2667 5.3675 5.5064 5.5588 5.6681 5.6746 5.6805 5.7061 5.9397 5.9413 8.0980 8.1160 9.1790 9.1942 9.7656 9.7657 9.9501 9.9575 10.2880 10.2977 11.2450 11.2952 k =-0.1996 0.2715 0.3370 ( 6484 PWs) bands (ev): -7.8122 -7.8121 -6.8459 -6.8422 -6.8034 -6.8021 -6.6202 -6.6147 -2.6397 -2.6026 -2.3910 -2.3903 -2.1558 -2.0490 -1.7704 -1.7601 -1.7010 -1.6977 -1.4922 -1.4093 1.2189 1.2480 1.6703 1.6842 1.8138 1.8179 2.0222 2.0244 2.4687 2.5097 2.6346 2.6369 2.6574 2.7031 3.1038 3.1439 3.3958 3.4041 3.4426 3.4957 3.7764 3.7878 4.5203 4.5250 4.5602 4.6794 4.7633 4.7781 4.7995 4.8686 4.9176 4.9272 5.2978 5.3894 5.4841 5.5327 5.6404 5.6507 5.7219 5.7517 5.9567 5.9610 8.0984 8.1101 9.1628 9.1835 9.7689 9.7736 9.9672 9.9785 10.1869 10.1949 11.1576 11.2059 k =-0.1906 0.2591 0.3216 ( 6482 PWs) bands (ev): -7.8304 -7.8302 -6.8302 -6.8265 -6.7928 -6.7915 -6.6201 -6.6145 -2.6393 -2.5946 -2.3919 -2.3894 -2.1689 -2.0446 -1.7720 -1.7601 -1.7014 -1.6972 -1.5108 -1.4182 1.2154 1.2444 1.6598 1.6678 1.7934 1.7992 2.0363 2.0519 2.5073 2.5529 2.6207 2.6518 2.6566 2.6890 3.1101 3.1481 3.3774 3.3912 3.4427 3.4922 3.7793 3.7883 4.5260 4.5296 4.5563 4.6761 4.7671 4.7748 4.8075 4.8594 4.9019 4.9160 5.3302 5.4119 5.4543 5.4991 5.6082 5.6185 5.7718 5.7984 5.9830 5.9890 8.0958 8.1012 9.1425 9.1687 9.7567 9.7693 9.9857 9.9963 10.1022 10.1094 11.0650 11.1113 k =-0.1815 0.2468 0.3063 ( 6486 PWs) bands (ev): -7.8486 -7.8484 -6.8149 -6.8111 -6.7816 -6.7803 -6.6200 -6.6144 -2.6383 -2.5858 -2.3928 -2.3888 -2.1822 -2.0408 -1.7735 -1.7603 -1.7020 -1.6970 -1.5293 -1.4277 1.2146 1.2432 1.6492 1.6519 1.7735 1.7809 2.0440 2.0773 2.5350 2.5718 2.6148 2.6579 2.6775 2.7002 3.1166 3.1523 3.3607 3.3799 3.4421 3.4877 3.7832 3.7901 4.5315 4.5322 4.5546 4.6729 4.7700 4.7706 4.8138 4.8490 4.8879 4.9055 5.3608 5.4222 5.4265 5.4693 5.5737 5.5852 5.8229 5.8460 6.0158 6.0231 8.0873 8.0881 9.1206 9.1520 9.7172 9.7394 9.9976 10.0052 10.0466 10.0680 10.9681 11.0126 k =-0.1724 0.2344 0.2910 ( 6482 PWs) bands (ev): -7.8667 -7.8665 -6.7999 -6.7960 -6.7701 -6.7688 -6.6199 -6.6144 -2.6366 -2.5762 -2.3937 -2.3885 -2.1956 -2.0375 -1.7748 -1.7608 -1.7029 -1.6970 -1.5475 -1.4378 1.2164 1.2444 1.6365 1.6384 1.7542 1.7630 2.0477 2.0975 2.5520 2.5593 2.6255 2.6493 2.7183 2.7415 3.1233 3.1564 3.3460 3.3707 3.4408 3.4820 3.7882 3.7932 4.5320 4.5368 4.5559 4.6698 4.7650 4.7720 4.8183 4.8386 4.8760 4.8954 5.3645 5.4007 5.4130 5.4765 5.5398 5.5530 5.8748 5.8943 6.0527 6.0614 8.0669 8.0735 9.1000 9.1361 9.6469 9.6750 9.9870 10.0237 10.0253 10.0750 10.8682 10.9108 k =-0.1633 0.2221 0.2757 ( 6480 PWs) bands (ev): -7.8845 -7.8843 -6.7853 -6.7813 -6.7583 -6.7570 -6.6199 -6.6143 -2.6343 -2.5658 -2.3945 -2.3886 -2.2092 -2.0350 -1.7759 -1.7616 -1.7039 -1.6972 -1.5650 -1.4483 1.2208 1.2482 1.6218 1.6276 1.7356 1.7458 2.0478 2.1124 2.5376 2.5576 2.6402 2.6458 2.7681 2.7917 3.1302 3.1605 3.3340 3.3641 3.4389 3.4752 3.7942 3.7974 4.5296 4.5419 4.5594 4.6667 4.7578 4.7726 4.8210 4.8289 4.8664 4.8852 5.3303 5.3570 5.4330 5.4811 5.5258 5.5290 5.9272 5.9430 6.0923 6.1025 8.0383 8.0501 9.0835 9.1235 9.5562 9.5859 9.9895 10.0240 10.0445 10.0944 10.7666 10.8073 k =-0.1543 0.2098 0.2604 ( 6486 PWs) bands (ev): -7.9019 -7.9018 -6.7711 -6.7671 -6.7464 -6.7451 -6.6198 -6.6143 -2.6314 -2.5546 -2.3953 -2.3892 -2.2227 -2.0335 -1.7768 -1.7627 -1.7052 -1.6976 -1.5817 -1.4593 1.2279 1.2543 1.6079 1.6168 1.7180 1.7292 2.0449 2.1222 2.5136 2.5509 2.6529 2.6571 2.8202 2.8444 3.1371 3.1643 3.3259 3.3610 3.4367 3.4675 3.8011 3.8028 4.5263 4.5468 4.5639 4.6637 4.7488 4.7716 4.8204 4.8217 4.8592 4.8745 5.2907 5.3106 5.4323 5.4505 5.5323 5.5514 5.9799 5.9918 6.1334 6.1455 8.0002 8.0162 9.0737 9.1163 9.4565 9.4860 10.0022 10.0352 10.0632 10.1151 10.6646 10.7032 k =-0.1452 0.1974 0.2451 ( 6482 PWs) bands (ev): -7.9189 -7.9188 -6.7575 -6.7534 -6.7346 -6.7333 -6.6198 -6.6143 -2.6280 -2.5427 -2.3960 -2.3901 -2.2360 -2.0330 -1.7775 -1.7638 -1.7067 -1.6982 -1.5973 -1.4705 1.2377 1.2627 1.5947 1.6060 1.7014 1.7137 2.0400 2.1276 2.4882 2.5352 2.6677 2.6759 2.8712 2.8962 3.1440 3.1680 3.3230 3.3620 3.4349 3.4589 3.8089 3.8093 4.5229 4.5514 4.5688 4.6607 4.7382 4.7688 4.8131 4.8207 4.8545 4.8633 5.2510 5.2640 5.4062 5.4131 5.5636 5.5868 6.0326 6.0407 6.1753 6.1895 7.9523 7.9714 9.0719 9.1155 9.3546 9.3827 10.0192 10.0506 10.0805 10.1344 10.5636 10.6001 k =-0.1361 0.1851 0.2297 ( 6477 PWs) bands (ev): -7.9353 -7.9352 -6.7444 -6.7403 -6.7229 -6.7215 -6.6198 -6.6144 -2.6240 -2.5302 -2.3966 -2.3916 -2.2491 -2.0340 -1.7779 -1.7649 -1.7083 -1.6990 -1.6115 -1.4820 1.2499 1.2732 1.5823 1.5951 1.6861 1.6994 2.0338 2.1294 2.4615 2.5143 2.6860 2.6955 2.9191 2.9447 3.1504 3.1713 3.3273 3.3675 3.4346 3.4498 3.8168 3.8175 4.5195 4.5558 4.5737 4.6577 4.7264 4.7644 4.8066 4.8182 4.8517 4.8517 5.2127 5.2183 5.3718 5.3752 5.6056 5.6263 6.0848 6.0891 6.2175 6.2340 7.8946 7.9157 9.0787 9.1203 9.2551 9.2798 10.0372 10.0660 10.0963 10.1509 10.4653 10.4993 k =-0.1270 0.1727 0.2144 ( 6491 PWs) bands (ev): -7.9511 -7.9509 -6.7320 -6.7277 -6.7114 -6.7101 -6.6199 -6.6145 -2.6195 -2.5171 -2.3972 -2.3937 -2.2617 -2.0366 -1.7781 -1.7659 -1.7102 -1.6999 -1.6244 -1.4937 1.2644 1.2856 1.5708 1.5843 1.6722 1.6867 2.0270 2.1284 2.4337 2.4902 2.7051 2.7148 2.9620 2.9876 3.1559 3.1743 3.3409 3.3760 3.4390 3.4401 3.8252 3.8269 4.5164 4.5597 4.5784 4.6544 4.7140 4.7586 4.8004 4.8142 4.8399 4.8504 5.1740 5.1764 5.3355 5.3376 5.6524 5.6689 6.1364 6.1369 6.2594 6.2784 7.8280 7.8500 9.0934 9.1166 9.1741 9.1796 10.0539 10.0786 10.1096 10.1634 10.3719 10.4031 k =-0.1180 0.1604 0.1991 ( 6483 PWs) bands (ev): -7.9660 -7.9659 -6.7201 -6.7158 -6.7003 -6.6989 -6.6199 -6.6146 -2.6145 -2.5034 -2.3976 -2.3964 -2.2737 -2.0410 -1.7780 -1.7666 -1.7121 -1.7009 -1.6357 -1.5056 1.2810 1.2995 1.5601 1.5734 1.6599 1.6758 2.0204 2.1252 2.4045 2.4636 2.7235 2.7326 2.9987 3.0237 3.1601 3.1770 3.3652 3.3831 3.4304 3.4535 3.8344 3.8369 4.5136 4.5633 4.5829 4.6509 4.7017 4.7520 4.7936 4.8086 4.8283 4.8502 5.1318 5.1426 5.2992 5.3012 5.7024 5.7145 6.1837 6.1867 6.3009 6.3222 7.7535 7.7758 9.0458 9.0801 9.1182 9.1704 10.0672 10.0850 10.1181 10.1683 10.2883 10.3162 k =-0.1089 0.1481 0.1838 ( 6495 PWs) bands (ev): -7.9802 -7.9801 -6.7090 -6.7045 -6.6896 -6.6883 -6.6200 -6.6147 -2.6089 -2.4895 -2.3999 -2.3979 -2.2848 -2.0473 -1.7776 -1.7668 -1.7140 -1.7021 -1.6457 -1.5176 1.2993 1.3146 1.5503 1.5628 1.6493 1.6673 2.0143 2.1206 2.3739 2.4349 2.7400 2.7479 3.0289 3.0527 3.1631 3.1792 3.3852 3.3999 3.4207 3.4820 3.8443 3.8474 4.5110 4.5663 4.5872 4.6468 4.6902 4.7448 4.7853 4.8014 4.8177 4.8505 5.0921 5.1115 5.2637 5.2660 5.7550 5.7631 6.2291 6.2355 6.3416 6.3651 7.6727 7.6947 8.9575 8.9885 9.1454 9.1941 10.0735 10.0755 10.1189 10.1542 10.2269 10.2538 k =-0.0998 0.1357 0.1685 ( 6491 PWs) bands (ev): -7.9934 -7.9933 -6.6985 -6.6940 -6.6795 -6.6781 -6.6201 -6.6149 -2.6028 -2.4753 -2.4041 -2.3981 -2.2947 -2.0556 -1.7769 -1.7662 -1.7160 -1.7033 -1.6541 -1.5297 1.3189 1.3302 1.5413 1.5526 1.6408 1.6616 2.0092 2.1149 2.3419 2.4043 2.7540 2.7602 3.0537 3.0756 3.1652 3.1810 3.3834 3.4106 3.4445 3.5220 3.8546 3.8582 4.5090 4.5688 4.5912 4.6416 4.6804 4.7375 4.7747 4.7924 4.8089 4.8511 5.0552 5.0831 5.2297 5.2326 5.8101 5.8145 6.2728 6.2821 6.3812 6.4067 7.5869 7.6082 8.8722 8.9009 9.1783 9.2244 10.0326 10.0555 10.1168 10.1227 10.2006 10.2312 k =-0.0907 0.1234 0.1532 ( 6499 PWs) bands (ev): -8.0057 -8.0056 -6.6889 -6.6842 -6.6700 -6.6686 -6.6202 -6.6151 -2.5963 -2.4613 -2.4091 -2.3981 -2.3032 -2.0659 -1.7760 -1.7649 -1.7179 -1.7046 -1.6612 -1.5418 1.3391 1.3458 1.5332 1.5431 1.6344 1.6592 2.0053 2.1085 2.3085 2.3717 2.7650 2.7691 3.0745 3.0938 3.1667 3.1824 3.3799 3.4015 3.4950 3.5697 3.8652 3.8693 4.5073 4.5703 4.5950 4.6350 4.6727 4.7302 4.7615 4.7818 4.8021 4.8513 5.0215 5.0573 5.1977 5.2010 5.8676 5.8688 6.3144 6.3261 6.4195 6.4464 7.4973 7.5179 8.7920 8.8188 9.2144 9.2583 9.9679 9.9972 10.1126 10.1152 10.1947 10.2266 k =-0.0817 0.1110 0.1378 ( 6499 PWs) bands (ev): -8.0170 -8.0169 -6.6799 -6.6752 -6.6613 -6.6598 -6.6203 -6.6153 -2.5892 -2.4482 -2.4144 -2.3980 -2.3098 -2.0781 -1.7747 -1.7628 -1.7197 -1.7060 -1.6670 -1.5540 1.3591 1.3605 1.5261 1.5345 1.6309 1.6608 2.0028 2.1017 2.2739 2.3375 2.7731 2.7748 3.0926 3.1088 3.1679 3.1834 3.3757 3.3930 3.5498 3.6217 3.8760 3.8803 4.5061 4.5707 4.5984 4.6277 4.6675 4.7229 4.7465 4.7696 4.7968 4.8509 4.9915 5.0339 5.1680 5.1717 5.9260 5.9275 6.3536 6.3670 6.4562 6.4839 7.4053 7.4249 8.7180 8.7427 9.2524 9.2939 9.8998 9.9280 10.1102 10.1124 10.1934 10.2247 k =-0.0726 0.0987 0.1225 ( 6501 PWs) bands (ev): -8.0272 -8.0271 -6.6718 -6.6670 -6.6533 -6.6517 -6.6204 -6.6155 -2.5817 -2.4387 -2.4179 -2.3977 -2.3140 -2.0919 -1.7732 -1.7601 -1.7214 -1.7074 -1.6716 -1.5662 1.3738 1.3776 1.5199 1.5274 1.6307 1.6668 2.0017 2.0945 2.2383 2.3018 2.7777 2.7782 3.1087 3.1216 3.1690 3.1840 3.3714 3.3852 3.6067 3.6756 3.8865 3.8910 4.5053 4.5694 4.6014 4.6207 4.6641 4.7159 4.7303 4.7559 4.7925 4.8492 4.9655 5.0128 5.1410 5.1449 5.9860 5.9898 6.3900 6.4042 6.4912 6.5188 7.3117 7.3304 8.6506 8.6732 9.2907 9.3300 9.8351 9.8614 10.1071 10.1080 10.1917 10.2219 k =-0.0635 0.0864 0.1072 ( 6501 PWs) bands (ev): -8.0363 -8.0362 -6.6646 -6.6596 -6.6461 -6.6445 -6.6205 -6.6159 -2.5738 -2.4388 -2.4140 -2.3973 -2.3153 -2.1072 -1.7714 -1.7570 -1.7228 -1.7088 -1.6749 -1.5782 1.3851 1.3933 1.5148 1.5217 1.6349 1.6772 2.0021 2.0871 2.2021 2.2649 2.7784 2.7808 3.1234 3.1329 3.1698 3.1842 3.3674 3.3783 3.6638 3.7290 3.8966 3.9013 4.5051 4.5661 4.6039 4.6148 4.6620 4.7090 4.7136 4.7409 4.7891 4.8457 4.9444 4.9937 5.1172 5.1208 6.0488 6.0544 6.4233 6.4374 6.5240 6.5506 7.2175 7.2354 8.5902 8.6106 9.3281 9.3648 9.7767 9.8008 10.1019 10.1022 10.1887 10.2174 k =-0.0544 0.0740 0.0919 ( 6487 PWs) bands (ev): -8.0442 -8.0442 -6.6581 -6.6532 -6.6399 -6.6381 -6.6205 -6.6162 -2.5654 -2.4458 -2.4059 -2.3967 -2.3132 -2.1236 -1.7693 -1.7538 -1.7238 -1.7101 -1.6768 -1.5901 1.3941 1.4053 1.5106 1.5175 1.6443 1.6918 2.0038 2.0795 2.1660 2.2272 2.7777 2.7814 3.1367 3.1429 3.1706 3.1844 3.3638 3.3724 3.7196 3.7800 3.9061 3.9108 4.5054 4.5609 4.6061 4.6107 4.6609 4.6971 4.7024 4.7248 4.7865 4.8399 4.9285 4.9765 5.0967 5.0998 6.1144 6.1213 6.4532 6.4663 6.5543 6.5789 7.1234 7.1407 8.5373 8.5553 9.3629 9.3967 9.7263 9.7480 10.0945 10.0956 10.1843 10.2111 k =-0.0454 0.0617 0.0766 ( 6479 PWs) bands (ev): -8.0510 -8.0510 -6.6525 -6.6476 -6.6347 -6.6326 -6.6204 -6.6166 -2.5566 -2.4550 -2.3990 -2.3959 -2.3071 -2.1410 -1.7670 -1.7513 -1.7241 -1.7114 -1.6772 -1.6019 1.4010 1.4132 1.5074 1.5144 1.6591 1.7095 2.0068 2.0717 2.1309 2.1894 2.7760 2.7805 3.1484 3.1515 3.1712 3.1844 3.3608 3.3673 3.7725 3.8268 3.9147 3.9194 4.5062 4.5542 4.6078 4.6080 4.6604 4.6817 4.6959 4.7081 4.7847 4.8320 4.9177 4.9611 5.0796 5.0819 6.1825 6.1903 6.4794 6.4905 6.5815 6.6032 7.0303 7.0469 8.4923 8.5076 9.3938 9.4239 9.6854 9.7042 10.0864 10.0879 10.1793 10.2036 k =-0.0363 0.0494 0.0613 ( 6463 PWs) bands (ev): -8.0566 -8.0566 -6.6477 -6.6431 -6.6306 -6.6281 -6.6201 -6.6171 -2.5473 -2.4650 -2.3950 -2.3944 -2.2971 -2.1591 -1.7646 -1.7497 -1.7237 -1.7127 -1.6760 -1.6133 1.4061 1.4175 1.5052 1.5119 1.6787 1.7289 2.0110 2.0634 2.0985 2.1521 2.7742 2.7787 3.1584 3.1584 3.1719 3.1846 3.3583 3.3632 3.8209 3.8673 3.9221 3.9268 4.5077 4.5469 4.6060 4.6088 4.6592 4.6696 4.6879 4.6933 4.7839 4.8228 4.9114 4.9476 5.0659 5.0674 6.2530 6.2613 6.5018 6.5101 6.6050 6.6233 6.9387 6.9548 8.4554 8.4678 9.4189 9.4441 9.6552 9.6705 10.0784 10.0800 10.1744 10.1953 k =-0.0272 0.0370 0.0459 ( 6463 PWs) bands (ev): -8.0610 -8.0609 -6.6438 -6.6397 -6.6277 -6.6247 -6.6194 -6.6176 -2.5378 -2.4754 -2.3941 -2.3920 -2.2841 -2.1777 -1.7620 -1.7495 -1.7226 -1.7140 -1.6730 -1.6244 1.4098 1.4191 1.5039 1.5098 1.7015 1.7474 2.0161 2.0539 2.0717 2.1165 2.7725 2.7765 3.1636 3.1660 3.1730 3.1847 3.3565 3.3599 3.8632 3.8994 3.9281 3.9331 4.5098 4.5395 4.6043 4.6090 4.6537 4.6655 4.6739 4.6858 4.7840 4.8135 4.9084 4.9359 5.0554 5.0563 6.3254 6.3336 6.5203 6.5250 6.6245 6.6387 6.8495 6.8653 8.4267 8.4362 9.4371 9.4562 9.6364 9.6473 10.0711 10.0726 10.1704 10.1871 k =-0.0181 0.0247 0.0306 ( 6463 PWs) bands (ev): -8.0641 -8.0641 -6.6406 -6.6375 -6.6255 -6.6226 -6.6186 -6.6180 -2.5279 -2.4860 -2.3931 -2.3910 -2.2687 -2.1965 -1.7594 -1.7504 -1.7211 -1.7153 -1.6682 -1.6350 1.4126 1.4190 1.5034 1.5078 1.7251 1.7614 2.0221 2.0420 2.0549 2.0843 2.7713 2.7743 3.1670 3.1696 3.1760 3.1847 3.3553 3.3575 3.8978 3.9211 3.9325 3.9383 4.5127 4.5325 4.6031 4.6081 4.6475 4.6606 4.6664 4.6805 4.7854 4.8050 4.9079 4.9263 5.0480 5.0484 6.3983 6.4052 6.5351 6.5353 6.6395 6.6492 6.7646 6.7799 8.4066 8.4131 9.4484 9.4607 9.6273 9.6338 10.0653 10.0665 10.1679 10.1796 k =-0.0091 0.0123 0.0153 ( 6471 PWs) bands (ev): -8.0660 -8.0660 -6.6383 -6.6366 -6.6240 -6.6221 -6.6180 -6.6179 -2.5177 -2.4967 -2.3923 -2.3910 -2.2518 -2.2153 -1.7568 -1.7522 -1.7196 -1.7166 -1.6618 -1.6450 1.4148 1.4181 1.5037 1.5060 1.7464 1.7669 2.0286 2.0345 2.0454 2.0580 2.7709 2.7725 3.1690 3.1703 3.1800 3.1842 3.3547 3.3558 3.9227 3.9316 3.9352 3.9414 4.5163 4.5262 4.6029 4.6063 4.6446 4.6509 4.6688 4.6759 4.7880 4.7978 4.9096 4.9187 5.0436 5.0437 6.4661 6.4691 6.5418 6.5480 6.6495 6.6546 6.6896 6.7031 8.3952 8.3984 9.4546 9.4604 9.6245 9.6273 10.0617 10.0623 10.1674 10.1734 k = 0.0000 0.0000 0.0000 ( 6467 PWs) bands (ev): -8.0666 -8.0666 -6.6369 -6.6369 -6.6227 -6.6227 -6.6178 -6.6178 -2.5073 -2.5073 -2.3915 -2.3915 -2.2338 -2.2338 -1.7543 -1.7543 -1.7181 -1.7181 -1.6539 -1.6539 1.4166 1.4166 1.5046 1.5046 1.7616 1.7616 2.0345 2.0345 2.0422 2.0422 2.7713 2.7713 3.1701 3.1701 3.1828 3.1828 3.3549 3.3549 3.9343 3.9343 3.9381 3.9381 4.5208 4.5208 4.6042 4.6042 4.6457 4.6457 4.6720 4.6720 4.7921 4.7921 4.9132 4.9132 5.0422 5.0422 6.5002 6.5002 6.5521 6.5521 6.6542 6.6542 6.6570 6.6570 8.3925 8.3925 9.4581 9.4581 9.6248 9.6248 10.0606 10.0606 10.1693 10.1693 k = 0.0000 0.0000 0.0000 ( 6467 PWs) bands (ev): -8.0666 -8.0666 -6.6369 -6.6369 -6.6227 -6.6227 -6.6178 -6.6178 -2.5073 -2.5073 -2.3915 -2.3915 -2.2338 -2.2338 -1.7543 -1.7543 -1.7181 -1.7181 -1.6539 -1.6539 1.4166 1.4166 1.5046 1.5046 1.7616 1.7616 2.0345 2.0345 2.0422 2.0422 2.7713 2.7713 3.1701 3.1701 3.1828 3.1828 3.3549 3.3549 3.9343 3.9343 3.9381 3.9381 4.5208 4.5208 4.6042 4.6042 4.6457 4.6457 4.6720 4.6720 4.7921 4.7921 4.9132 4.9132 5.0422 5.0422 6.5002 6.5002 6.5521 6.5521 6.6542 6.6542 6.6570 6.6570 8.3925 8.3925 9.4581 9.4581 9.6248 9.6248 10.0606 10.0606 10.1693 10.1693 k = 0.0172 0.0127 0.0000 ( 6471 PWs) bands (ev): -8.0659 -8.0659 -6.6382 -6.6382 -6.6228 -6.6228 -6.6178 -6.6178 -2.5071 -2.5071 -2.3915 -2.3915 -2.2333 -2.2333 -1.7544 -1.7544 -1.7181 -1.7181 -1.6539 -1.6539 1.4049 1.4049 1.5174 1.5174 1.7607 1.7607 2.0351 2.0351 2.0430 2.0430 2.7730 2.7730 3.1700 3.1700 3.1826 3.1826 3.3538 3.3538 3.9342 3.9342 3.9399 3.9399 4.5210 4.5210 4.6039 4.6039 4.6465 4.6465 4.6721 4.6721 4.7922 4.7922 4.9128 4.9128 5.0423 5.0423 6.4549 6.4549 6.5512 6.5512 6.6539 6.6539 6.7006 6.7006 8.3938 8.3938 9.4554 9.4554 9.6231 9.6231 10.0587 10.0587 10.1663 10.1663 k = 0.0345 0.0254 0.0000 ( 6471 PWs) bands (ev): -8.0637 -8.0637 -6.6419 -6.6419 -6.6231 -6.6231 -6.6179 -6.6179 -2.5064 -2.5064 -2.3916 -2.3916 -2.2317 -2.2317 -1.7545 -1.7545 -1.7183 -1.7183 -1.6539 -1.6539 1.3805 1.3805 1.5451 1.5451 1.7584 1.7584 2.0368 2.0368 2.0454 2.0454 2.7781 2.7781 3.1699 3.1699 3.1819 3.1819 3.3504 3.3504 3.9349 3.9349 3.9443 3.9443 4.5217 4.5217 4.6029 4.6029 4.6492 4.6492 4.6725 4.6725 4.7923 4.7923 4.9116 4.9116 5.0428 5.0428 6.3749 6.3749 6.5451 6.5451 6.6459 6.6459 6.7859 6.7859 8.3977 8.3977 9.4464 9.4464 9.6191 9.6191 10.0526 10.0526 10.1569 10.1569 k = 0.0517 0.0380 0.0000 ( 6471 PWs) bands (ev): -8.0601 -8.0601 -6.6482 -6.6482 -6.6233 -6.6233 -6.6180 -6.6180 -2.5052 -2.5052 -2.3918 -2.3918 -2.2290 -2.2290 -1.7546 -1.7546 -1.7185 -1.7185 -1.6537 -1.6537 1.3531 1.3531 1.5772 1.5772 1.7551 1.7551 2.0398 2.0398 2.0492 2.0492 2.7864 2.7864 3.1697 3.1697 3.1809 3.1809 3.3448 3.3448 3.9370 3.9370 3.9505 3.9505 4.5229 4.5229 4.6015 4.6015 4.6533 4.6533 4.6732 4.6732 4.7924 4.7924 4.9093 4.9093 5.0439 5.0439 6.2902 6.2902 6.5343 6.5343 6.6328 6.6328 6.8801 6.8801 8.4043 8.4043 9.4289 9.4289 9.6162 9.6162 10.0416 10.0416 10.1409 10.1409 k = 0.0690 0.0507 0.0000 ( 6475 PWs) bands (ev): -8.0551 -8.0551 -6.6570 -6.6570 -6.6236 -6.6236 -6.6182 -6.6182 -2.5037 -2.5037 -2.3920 -2.3920 -2.2253 -2.2253 -1.7549 -1.7549 -1.7189 -1.7189 -1.6535 -1.6535 1.3262 1.3262 1.6094 1.6094 1.7521 1.7521 2.0441 2.0441 2.0545 2.0545 2.7977 2.7977 3.1695 3.1695 3.1795 3.1795 3.3371 3.3371 3.9406 3.9406 3.9584 3.9584 4.5245 4.5245 4.5998 4.5998 4.6587 4.6587 4.6742 4.6742 4.7928 4.7928 4.9057 4.9057 5.0458 5.0458 6.2063 6.2063 6.5193 6.5193 6.6148 6.6148 6.9773 6.9773 8.4133 8.4133 9.4013 9.4013 9.6178 9.6178 10.0246 10.0246 10.1173 10.1173 k = 0.0862 0.0634 0.0000 ( 6475 PWs) bands (ev): -8.0487 -8.0487 -6.6684 -6.6684 -6.6239 -6.6239 -6.6185 -6.6185 -2.5017 -2.5017 -2.3924 -2.3924 -2.2205 -2.2205 -1.7553 -1.7553 -1.7193 -1.7193 -1.6533 -1.6533 1.3008 1.3008 1.6377 1.6377 1.7523 1.7523 2.0497 2.0497 2.0611 2.0611 2.8117 2.8117 3.1690 3.1690 3.1778 3.1778 3.3274 3.3274 3.9457 3.9457 3.9679 3.9679 4.5266 4.5266 4.5980 4.5980 4.6647 4.6647 4.6757 4.6757 4.7932 4.7932 4.9004 4.9004 5.0491 5.0491 6.1248 6.1248 6.5003 6.5003 6.5922 6.5922 7.0758 7.0758 8.4247 8.4247 9.3638 9.3638 9.6256 9.6256 10.0004 10.0004 10.0855 10.0855 k = 0.1034 0.0761 0.0000 ( 6499 PWs) bands (ev): -8.0410 -8.0410 -6.6821 -6.6821 -6.6242 -6.6242 -6.6188 -6.6188 -2.4995 -2.4995 -2.3929 -2.3929 -2.2148 -2.2148 -1.7558 -1.7558 -1.7200 -1.7200 -1.6530 -1.6530 1.2776 1.2776 1.6565 1.6565 1.7608 1.7608 2.0565 2.0565 2.0689 2.0689 2.8280 2.8280 3.1681 3.1681 3.1761 3.1761 3.3160 3.3160 3.9522 3.9522 3.9788 3.9788 4.5290 4.5290 4.5962 4.5962 4.6701 4.6701 4.6787 4.6787 4.7936 4.7936 4.8932 4.8932 5.0539 5.0539 6.0464 6.0464 6.4778 6.4778 6.5654 6.5654 7.1745 7.1745 8.4383 8.4383 9.3184 9.3184 9.6396 9.6396 9.9679 9.9679 10.0451 10.0451 k = 0.1207 0.0888 0.0000 ( 6515 PWs) bands (ev): -8.0318 -8.0318 -6.6981 -6.6981 -6.6244 -6.6244 -6.6191 -6.6191 -2.4969 -2.4969 -2.3935 -2.3935 -2.2082 -2.2082 -1.7564 -1.7564 -1.7207 -1.7207 -1.6527 -1.6527 1.2569 1.2569 1.6619 1.6619 1.7811 1.7811 2.0646 2.0646 2.0780 2.0780 2.8463 2.8463 3.1665 3.1665 3.1747 3.1747 3.3029 3.3029 3.9600 3.9600 3.9910 3.9910 4.5319 4.5319 4.5943 4.5943 4.6725 4.6725 4.6853 4.6853 4.7943 4.7943 4.8842 4.8842 5.0606 5.0606 5.9714 5.9714 6.4520 6.4520 6.5349 6.5349 7.2726 7.2726 8.4537 8.4537 9.2681 9.2681 9.6594 9.6594 9.9264 9.9264 9.9958 9.9958 k = 0.1379 0.1014 0.0000 ( 6511 PWs) bands (ev): -8.0213 -8.0213 -6.7162 -6.7162 -6.6248 -6.6248 -6.6195 -6.6195 -2.4941 -2.4941 -2.3941 -2.3941 -2.2007 -2.2007 -1.7571 -1.7571 -1.7214 -1.7214 -1.6522 -1.6522 1.2390 1.2390 1.6572 1.6572 1.8099 1.8099 2.0739 2.0739 2.0882 2.0882 2.8661 2.8661 3.1641 3.1641 3.1738 3.1738 3.2887 3.2887 3.9689 3.9689 4.0045 4.0045 4.5353 4.5353 4.5924 4.5924 4.6729 4.6729 4.6943 4.6943 4.7953 4.7953 4.8735 4.8735 5.0692 5.0692 5.9003 5.9003 6.4234 6.4234 6.5012 6.5012 7.3696 7.3696 8.4705 8.4705 9.2154 9.2154 9.6841 9.6841 9.8758 9.8758 9.9381 9.9381 k = 0.1552 0.1141 0.0000 ( 6519 PWs) bands (ev): -8.0095 -8.0095 -6.7363 -6.7363 -6.6251 -6.6251 -6.6200 -6.6200 -2.4911 -2.4911 -2.3949 -2.3949 -2.1923 -2.1923 -1.7580 -1.7580 -1.7222 -1.7222 -1.6518 -1.6518 1.2241 1.2241 1.6470 1.6470 1.8423 1.8423 2.0843 2.0843 2.0993 2.0993 2.8871 2.8871 3.1607 3.1607 3.1736 3.1736 3.2737 3.2737 3.9789 3.9789 4.0191 4.0191 4.5389 4.5389 4.5904 4.5904 4.6716 4.6716 4.7043 4.7043 4.7963 4.7963 4.8616 4.8616 5.0797 5.0797 5.8333 5.8333 6.3924 6.3924 6.4648 6.4648 7.4648 7.4648 8.4878 8.4878 9.1630 9.1630 9.7134 9.7134 9.8168 9.8168 9.8729 9.8729 k = 0.1724 0.1268 0.0000 ( 6495 PWs) bands (ev): -7.9964 -7.9964 -6.7583 -6.7583 -6.6254 -6.6254 -6.6204 -6.6204 -2.4879 -2.4879 -2.3957 -2.3957 -2.1833 -2.1833 -1.7589 -1.7589 -1.7231 -1.7231 -1.6513 -1.6513 1.2124 1.2124 1.6339 1.6339 1.8754 1.8754 2.0957 2.0957 2.1114 2.1114 2.9089 2.9089 3.1565 3.1565 3.1738 3.1738 3.2585 3.2585 3.9897 3.9897 4.0346 4.0346 4.5429 4.5429 4.5882 4.5882 4.6686 4.6686 4.7152 4.7152 4.7976 4.7976 4.8494 4.8494 5.0921 5.0921 5.7704 5.7704 6.3595 6.3595 6.4262 6.4262 7.5576 7.5576 8.5045 8.5045 9.1134 9.1134 9.7410 9.7410 9.7559 9.7559 9.8015 9.8015 k = 0.1897 0.1395 0.0000 ( 6495 PWs) bands (ev): -7.9820 -7.9820 -6.7820 -6.7820 -6.6258 -6.6258 -6.6209 -6.6209 -2.4847 -2.4847 -2.3966 -2.3966 -2.1736 -2.1736 -1.7601 -1.7601 -1.7241 -1.7241 -1.6508 -1.6508 1.2040 1.2040 1.6193 1.6193 1.9075 1.9075 2.1079 2.1079 2.1241 2.1241 2.9311 2.9311 3.1515 3.1515 3.1743 3.1743 3.2436 3.2436 4.0013 4.0013 4.0509 4.0509 4.5472 4.5472 4.5856 4.5856 4.6632 4.6632 4.7267 4.7267 4.7990 4.7990 4.8379 4.8379 5.1061 5.1061 5.7116 5.7116 6.3249 6.3249 6.3860 6.3860 7.6473 7.6473 8.5192 8.5192 9.0693 9.0693 9.6760 9.6760 9.7243 9.7243 9.7866 9.7866 k = 0.2069 0.1522 0.0000 ( 6483 PWs) bands (ev): -7.9665 -7.9665 -6.8072 -6.8072 -6.6261 -6.6261 -6.6214 -6.6214 -2.4814 -2.4814 -2.3977 -2.3977 -2.1635 -2.1635 -1.7614 -1.7614 -1.7251 -1.7251 -1.6502 -1.6502 1.1991 1.1991 1.6039 1.6039 1.9376 1.9376 2.1209 2.1209 2.1374 2.1374 2.9533 2.9533 3.1457 3.1457 3.1751 3.1751 3.2297 3.2297 4.0134 4.0134 4.0678 4.0678 4.5517 4.5517 4.5823 4.5823 4.6549 4.6549 4.7385 4.7385 4.8005 4.8005 4.8283 4.8283 5.1216 5.1216 5.6571 5.6571 6.2891 6.2891 6.3448 6.3448 7.7333 7.7333 8.5300 8.5300 9.0334 9.0334 9.5990 9.5990 9.6445 9.6445 9.8281 9.8281 k = 0.2241 0.1648 0.0000 ( 6495 PWs) bands (ev): -7.9498 -7.9498 -6.8338 -6.8338 -6.6265 -6.6265 -6.6220 -6.6220 -2.4781 -2.4781 -2.3989 -2.3989 -2.1530 -2.1530 -1.7630 -1.7630 -1.7264 -1.7264 -1.6497 -1.6497 1.1976 1.1976 1.5882 1.5882 1.9648 1.9648 2.1344 2.1344 2.1510 2.1510 2.9751 2.9751 3.1392 3.1392 3.1763 3.1763 3.2175 3.2175 4.0260 4.0260 4.0852 4.0852 4.5562 4.5562 4.5776 4.5776 4.6437 4.6437 4.7503 4.7503 4.8016 4.8016 4.8221 4.8221 5.1384 5.1384 5.6066 5.6066 6.2526 6.2526 6.3030 6.3030 7.8148 7.8148 8.5351 8.5351 9.0082 9.0082 9.5189 9.5189 9.5625 9.5625 9.8737 9.8737 k = 0.2414 0.1775 0.0000 ( 6487 PWs) bands (ev): -7.9321 -7.9321 -6.8615 -6.8615 -6.6268 -6.6268 -6.6225 -6.6225 -2.4747 -2.4747 -2.4002 -2.4002 -2.1421 -2.1421 -1.7647 -1.7647 -1.7276 -1.7276 -1.6491 -1.6491 1.1996 1.1996 1.5726 1.5726 1.9884 1.9884 2.1482 2.1482 2.1648 2.1648 2.9963 2.9963 3.1324 3.1324 3.1778 3.1778 3.2077 3.2077 4.0387 4.0387 4.1029 4.1029 4.5599 4.5599 4.5711 4.5711 4.6308 4.6308 4.7620 4.7620 4.8023 4.8023 4.8201 4.8201 5.1562 5.1562 5.5601 5.5601 6.2157 6.2157 6.2614 6.2614 7.8911 7.8911 8.5337 8.5337 8.9950 8.9950 9.4373 9.4373 9.4798 9.4798 9.9230 9.9230 k = 0.2586 0.1902 0.0000 ( 6483 PWs) bands (ev): -7.9134 -7.9134 -6.8902 -6.8902 -6.6272 -6.6272 -6.6231 -6.6231 -2.4713 -2.4713 -2.4016 -2.4016 -2.1311 -2.1311 -1.7667 -1.7667 -1.7289 -1.7289 -1.6486 -1.6486 1.2051 1.2051 1.5572 1.5572 2.0078 2.0078 2.1621 2.1621 2.1786 2.1786 3.0164 3.0164 3.1257 3.1257 3.1796 3.1796 3.2004 3.2004 4.0516 4.0516 4.1207 4.1207 4.5544 4.5544 4.5687 4.5687 4.6187 4.6187 4.7730 4.7730 4.8030 4.8030 4.8218 4.8218 5.1748 5.1748 5.5174 5.5174 6.1789 6.1789 6.2205 6.2205 7.9609 7.9609 8.5268 8.5268 8.9934 8.9934 9.3556 9.3556 9.3977 9.3977 9.9757 9.9757 k = 0.2759 0.2029 0.0000 ( 6490 PWs) bands (ev): -7.8938 -7.8938 -6.9196 -6.9196 -6.6276 -6.6276 -6.6236 -6.6236 -2.4680 -2.4680 -2.4031 -2.4031 -2.1201 -2.1201 -1.7689 -1.7689 -1.7303 -1.7303 -1.6481 -1.6481 1.2141 1.2141 1.5423 1.5423 2.0223 2.0223 2.1758 2.1758 2.1922 2.1922 3.0350 3.0350 3.1198 3.1198 3.1815 3.1815 3.1961 3.1961 4.0643 4.0643 4.1384 4.1384 4.5361 4.5361 4.5724 4.5724 4.6096 4.6096 4.7828 4.7828 4.8047 4.8047 4.8265 4.8265 5.1940 5.1940 5.4783 5.4783 6.1423 6.1423 6.1807 6.1807 8.0228 8.0228 8.5178 8.5178 9.0012 9.0012 9.2750 9.2750 9.3174 9.3174 10.0316 10.0316 k = 0.2931 0.2156 0.0000 ( 6482 PWs) bands (ev): -7.8735 -7.8735 -6.9496 -6.9496 -6.6279 -6.6279 -6.6242 -6.6242 -2.4648 -2.4648 -2.4047 -2.4047 -2.1091 -2.1091 -1.7712 -1.7712 -1.7316 -1.7316 -1.6477 -1.6477 1.2265 1.2265 1.5281 1.5281 2.0314 2.0314 2.1891 2.1891 2.2056 2.2056 3.0519 3.0519 3.1157 3.1157 3.1832 3.1832 3.1949 3.1949 4.0767 4.0767 4.1560 4.1560 4.5111 4.5111 4.5769 4.5769 4.6036 4.6036 4.7910 4.7910 4.8077 4.8077 4.8336 4.8336 5.2134 5.2134 5.4427 5.4427 6.1065 6.1065 6.1427 6.1427 8.0744 8.0744 8.5112 8.5112 9.0146 9.0146 9.1965 9.1965 9.2404 9.2404 10.0902 10.0902 k = 0.3103 0.2282 0.0000 ( 6486 PWs) bands (ev): -7.8525 -7.8525 -6.9798 -6.9798 -6.6282 -6.6282 -6.6248 -6.6248 -2.4616 -2.4616 -2.4063 -2.4063 -2.0983 -2.0983 -1.7737 -1.7737 -1.7329 -1.7329 -1.6474 -1.6474 1.2421 1.2421 1.5146 1.5146 2.0346 2.0346 2.2019 2.2019 2.2188 2.2188 3.0666 3.0666 3.1136 3.1136 3.1849 3.1849 3.1969 3.1969 4.0888 4.0888 4.1731 4.1731 4.4821 4.4821 4.5811 4.5811 4.5998 4.5998 4.7978 4.7978 4.8114 4.8114 4.8426 4.8426 5.2326 5.2326 5.4105 5.4105 6.0717 6.0717 6.1069 6.1069 8.1130 8.1130 8.5123 8.5123 9.0287 9.0287 9.1211 9.1211 9.1693 9.1693 10.1511 10.1511 k = 0.3276 0.2409 0.0000 ( 6506 PWs) bands (ev): -7.8310 -7.8310 -7.0101 -7.0101 -6.6285 -6.6285 -6.6253 -6.6253 -2.4585 -2.4585 -2.4082 -2.4082 -2.0878 -2.0878 -1.7765 -1.7765 -1.7343 -1.7343 -1.6471 -1.6471 1.2606 1.2606 1.5020 1.5020 2.0317 2.0317 2.2140 2.2140 2.2316 2.2316 3.0787 3.0787 3.1138 3.1138 3.1877 3.1877 3.2009 3.2009 4.1002 4.1002 4.1896 4.1896 4.4507 4.4507 4.5851 4.5851 4.5971 4.5971 4.8034 4.8034 4.8154 4.8154 4.8531 4.8531 5.2512 5.2512 5.3815 5.3815 6.0382 6.0382 6.0735 6.0735 8.1367 8.1367 8.5251 8.5251 9.0322 9.0322 9.0497 9.0497 9.1131 9.1131 10.2135 10.2135 k = 0.3448 0.2536 0.0000 ( 6506 PWs) bands (ev): -7.8093 -7.8093 -7.0400 -7.0400 -6.6288 -6.6288 -6.6258 -6.6258 -2.4554 -2.4554 -2.4100 -2.4100 -2.0777 -2.0777 -1.7793 -1.7793 -1.7356 -1.7356 -1.6468 -1.6468 1.2819 1.2819 1.4904 1.4904 2.0227 2.0227 2.2255 2.2255 2.2439 2.2439 3.0880 3.0880 3.1160 3.1160 3.1926 3.1926 3.2063 3.2063 4.1110 4.1110 4.2054 4.2054 4.4182 4.4182 4.5888 4.5888 4.5953 4.5953 4.8087 4.8087 4.8195 4.8195 4.8643 4.8643 5.2684 5.2684 5.3563 5.3563 6.0066 6.0066 6.0429 6.0429 8.1461 8.1461 8.5507 8.5507 8.9823 8.9823 9.0007 9.0007 9.0954 9.0954 10.2768 10.2768 k = 0.3621 0.2663 0.0000 ( 6506 PWs) bands (ev): -7.7876 -7.7876 -7.0693 -7.0693 -6.6290 -6.6290 -6.6263 -6.6263 -2.4524 -2.4524 -2.4119 -2.4119 -2.0681 -2.0681 -1.7822 -1.7822 -1.7368 -1.7368 -1.6466 -1.6466 1.3056 1.3056 1.4799 1.4799 2.0083 2.0083 2.2363 2.2363 2.2556 2.2556 3.0945 3.0946 3.1197 3.1197 3.1998 3.1998 3.2126 3.2126 4.1210 4.1210 4.2202 4.2202 4.3856 4.3856 4.5915 4.5915 4.5944 4.5944 4.8137 4.8137 4.8232 4.8232 4.8756 4.8756 5.2820 5.2820 5.3365 5.3365 5.9773 5.9773 6.0153 6.0153 8.1445 8.1445 8.5868 8.5868 8.9206 8.9206 8.9479 8.9479 9.0999 9.0999 10.3400 10.3400 k = 0.3793 0.2790 0.0000 ( 6538 PWs) bands (ev): -7.7662 -7.7662 -7.0976 -7.0976 -6.6293 -6.6293 -6.6267 -6.6267 -2.4496 -2.4496 -2.4139 -2.4139 -2.0593 -2.0593 -1.7853 -1.7853 -1.7381 -1.7381 -1.6465 -1.6465 1.3310 1.3310 1.4706 1.4706 1.9891 1.9891 2.2463 2.2463 2.2664 2.2664 3.0990 3.0990 3.1239 3.1239 3.2094 3.2094 3.2193 3.2193 4.1300 4.1300 4.2339 4.2339 4.3538 4.3538 4.5917 4.5917 4.5957 4.5957 4.8182 4.8182 4.8266 4.8266 4.8868 4.8868 5.2856 5.2856 5.3279 5.3279 5.9506 5.9506 5.9906 5.9906 8.1361 8.1361 8.6298 8.6298 8.8647 8.8647 8.8955 8.8955 9.1051 9.1051 10.4020 10.4020 k = 0.3966 0.2916 0.0000 ( 6538 PWs) bands (ev): -7.7456 -7.7456 -7.1244 -7.1244 -6.6294 -6.6294 -6.6271 -6.6271 -2.4467 -2.4467 -2.4159 -2.4159 -2.0512 -2.0512 -1.7881 -1.7881 -1.7391 -1.7391 -1.6463 -1.6463 1.3576 1.3576 1.4626 1.4626 1.9663 1.9663 2.2554 2.2554 2.2761 2.2761 3.1020 3.1020 3.1279 3.1279 3.2205 3.2205 3.2265 3.2265 4.1380 4.1380 4.2463 4.2463 4.3238 4.3238 4.5910 4.5910 4.5977 4.5977 4.8224 4.8224 4.8296 4.8296 4.8973 4.8973 5.2762 5.2762 5.3336 5.3336 5.9269 5.9269 5.9692 5.9692 8.1244 8.1244 8.6762 8.6762 8.8153 8.8153 8.8483 8.8483 9.1058 9.1058 10.4616 10.4616 k = 0.4138 0.3043 0.0000 ( 6534 PWs) bands (ev): -7.7262 -7.7262 -7.1490 -7.1490 -6.6296 -6.6296 -6.6275 -6.6275 -2.4440 -2.4440 -2.4179 -2.4179 -2.0440 -2.0440 -1.7908 -1.7908 -1.7399 -1.7399 -1.6462 -1.6462 1.3843 1.3843 1.4562 1.4562 1.9413 1.9413 2.2635 2.2635 2.2846 2.2846 3.1039 3.1039 3.1312 3.1312 3.2301 3.2301 3.2358 3.2358 4.1450 4.1450 4.2571 4.2571 4.2964 4.2964 4.5904 4.5904 4.5996 4.5996 4.8263 4.8263 4.8322 4.8322 4.9070 4.9070 5.2628 5.2628 5.3440 5.3440 5.9065 5.9065 5.9509 5.9509 8.1120 8.1120 8.7217 8.7217 8.7732 8.7732 8.8096 8.8096 9.1005 9.1005 10.5174 10.5174 k = 0.4310 0.3170 0.0000 ( 6534 PWs) bands (ev): -7.7088 -7.7088 -7.1709 -7.1709 -6.6297 -6.6297 -6.6278 -6.6278 -2.4414 -2.4414 -2.4200 -2.4200 -2.0379 -2.0379 -1.7932 -1.7932 -1.7407 -1.7407 -1.6461 -1.6461 1.4092 1.4092 1.4521 1.4521 1.9158 1.9158 2.2702 2.2702 2.2918 2.2918 3.1052 3.1052 3.1338 3.1338 3.2363 3.2363 3.2476 3.2476 4.1507 4.1507 4.2645 4.2645 4.2741 4.2741 4.5898 4.5898 4.6010 4.6010 4.8296 4.8296 4.8343 4.8343 4.9156 4.9156 5.2503 5.2503 5.3542 5.3542 5.8895 5.8895 5.9360 5.9360 8.1003 8.1003 8.7339 8.7339 8.7525 8.7525 8.7966 8.7966 9.0888 9.0888 10.5110 10.5110 k = 0.4483 0.3297 0.0000 ( 6550 PWs) bands (ev): -7.6939 -7.6939 -7.1892 -7.1892 -6.6298 -6.6298 -6.6281 -6.6281 -2.4390 -2.4390 -2.4220 -2.4220 -2.0329 -2.0329 -1.7952 -1.7952 -1.7413 -1.7413 -1.6462 -1.6462 1.4276 1.4276 1.4536 1.4536 1.8918 1.8918 2.2757 2.2757 2.2975 2.2975 3.1059 3.1059 3.1358 3.1358 3.2410 3.2410 3.2587 3.2587 4.1553 4.1553 4.2510 4.2510 4.2750 4.2750 4.5893 4.5893 4.6018 4.6018 4.8323 4.8323 4.8358 4.8358 4.9227 4.9227 5.2399 5.2399 5.3628 5.3628 5.8762 5.8762 5.9243 5.9243 8.0905 8.0905 8.7076 8.7076 8.7354 8.7354 8.8323 8.8323 9.0709 9.0709 10.4775 10.4775 k = 0.4655 0.3424 0.0000 ( 6530 PWs) bands (ev): -7.6825 -7.6825 -7.2031 -7.2031 -6.6298 -6.6298 -6.6283 -6.6283 -2.4367 -2.4367 -2.4238 -2.4238 -2.0293 -2.0293 -1.7966 -1.7966 -1.7416 -1.7416 -1.6461 -1.6461 1.4335 1.4335 1.4647 1.4647 1.8716 1.8716 2.2796 2.2796 2.3016 2.3016 3.1064 3.1064 3.1372 3.1372 3.2444 3.2444 3.2677 3.2677 4.1586 4.1586 4.2365 4.2365 4.2801 4.2801 4.5890 4.5890 4.6025 4.6025 4.8345 4.8345 4.8369 4.8369 4.9280 4.9280 5.2323 5.2323 5.3692 5.3692 5.8666 5.8666 5.9159 5.9159 8.0832 8.0832 8.6876 8.6876 8.7173 8.7173 8.8747 8.8747 9.0481 9.0481 10.4533 10.4533 k = 0.4828 0.3550 0.0000 ( 6530 PWs) bands (ev): -7.6752 -7.6752 -7.2119 -7.2119 -6.6299 -6.6299 -6.6284 -6.6284 -2.4350 -2.4350 -2.4253 -2.4253 -2.0271 -2.0271 -1.7976 -1.7976 -1.7419 -1.7419 -1.6461 -1.6461 1.4337 1.4337 1.4760 1.4760 1.8579 1.8579 2.2820 2.2820 2.3041 2.3041 3.1066 3.1066 3.1380 3.1380 3.2464 3.2464 3.2734 3.2734 4.1605 4.1605 4.2273 4.2273 4.2833 4.2833 4.5888 4.5888 4.6029 4.6029 4.8359 4.8359 4.8373 4.8373 4.9313 4.9313 5.2275 5.2275 5.3731 5.3731 5.8608 5.8608 5.9109 5.9109 8.0786 8.0786 8.6754 8.6754 8.7059 8.7059 8.9115 8.9115 9.0237 9.0237 10.4388 10.4388 k = 0.5000 0.3677 0.0000 ( 6534 PWs) bands (ev): -7.6728 -7.6728 -7.2149 -7.2149 -6.6299 -6.6299 -6.6284 -6.6284 -2.4343 -2.4343 -2.4260 -2.4260 -2.0263 -2.0263 -1.7979 -1.7979 -1.7420 -1.7420 -1.6462 -1.6462 1.4336 1.4336 1.4803 1.4803 1.8530 1.8530 2.2828 2.2828 2.3049 2.3049 3.1067 3.1067 3.1383 3.1383 3.2471 3.2471 3.2754 3.2754 4.1612 4.1612 4.2242 4.2242 4.2844 4.2844 4.5888 4.5888 4.6029 4.6029 4.8365 4.8365 4.8373 4.8373 4.9324 4.9324 5.2259 5.2259 5.3745 5.3745 5.8589 5.8589 5.9093 5.9093 8.0770 8.0770 8.6714 8.6714 8.7020 8.7020 8.9292 8.9292 9.0102 9.0102 10.4339 10.4339 k = 0.5000 0.3677 0.0000 ( 6534 PWs) bands (ev): -7.6728 -7.6728 -7.2149 -7.2149 -6.6299 -6.6299 -6.6284 -6.6284 -2.4343 -2.4343 -2.4260 -2.4260 -2.0263 -2.0263 -1.7979 -1.7979 -1.7420 -1.7420 -1.6462 -1.6462 1.4336 1.4336 1.4803 1.4803 1.8530 1.8530 2.2828 2.2828 2.3049 2.3049 3.1067 3.1067 3.1383 3.1383 3.2471 3.2471 3.2754 3.2754 4.1612 4.1612 4.2242 4.2242 4.2844 4.2844 4.5888 4.5888 4.6029 4.6029 4.8365 4.8365 4.8373 4.8373 4.9324 4.9324 5.2259 5.2259 5.3745 5.3745 5.8589 5.8589 5.9093 5.9093 8.0770 8.0770 8.6714 8.6714 8.7020 8.7020 8.9292 8.9292 9.0102 9.0102 10.4339 10.4339 k = 0.4909 0.3801 0.0154 ( 6538 PWs) bands (ev): -7.6725 -7.6725 -7.2145 -7.2143 -6.6304 -6.6303 -6.6288 -6.6286 -2.4426 -2.4273 -2.4267 -2.4254 -2.0448 -2.0082 -1.8000 -1.7949 -1.7438 -1.7400 -1.6564 -1.6339 1.4337 1.4354 1.4777 1.4823 1.8510 1.8521 2.2818 2.2828 2.3037 2.3056 3.1013 3.1103 3.1362 3.1388 3.2434 3.2495 3.2704 3.2813 4.1549 4.1648 4.2238 4.2268 4.2792 4.2845 4.5863 4.5900 4.5919 4.6183 4.8182 4.8351 4.8395 4.8569 4.9252 4.9386 5.2261 5.2295 5.3722 5.3740 5.8554 5.8622 5.9092 5.9093 8.0773 8.0784 8.6732 8.6733 8.7035 8.7043 8.9300 8.9379 9.0081 9.0174 10.4362 10.4371 k = 0.4818 0.3925 0.0308 ( 6540 PWs) bands (ev): -7.6718 -7.6718 -7.2132 -7.2129 -6.6326 -6.6325 -6.6292 -6.6286 -2.4520 -2.4274 -2.4254 -2.4211 -2.0628 -1.9913 -1.8015 -1.7907 -1.7453 -1.7380 -1.6642 -1.6196 1.4359 1.4392 1.4745 1.4836 1.8460 1.8482 2.2792 2.2820 2.3016 2.3061 3.0941 3.1118 3.1318 3.1381 3.2382 3.2510 3.2665 3.2874 4.1463 4.1656 4.2257 4.2314 4.2693 4.2794 4.5709 4.5934 4.5981 4.6328 4.8007 4.8347 4.8436 4.8773 4.9173 4.9439 5.2298 5.2367 5.3675 5.3709 5.8514 5.8631 5.9095 5.9112 8.0790 8.0813 8.6786 8.6789 8.7095 8.7105 8.9400 8.9560 9.0112 9.0294 10.4441 10.4459 k = 0.4726 0.4049 0.0462 ( 6546 PWs) bands (ev): -7.6707 -7.6707 -7.2111 -7.2106 -6.6366 -6.6364 -6.6293 -6.6285 -2.4622 -2.4281 -2.4258 -2.4165 -2.0797 -1.9765 -1.8024 -1.7851 -1.7463 -1.7360 -1.6694 -1.6036 1.4400 1.4449 1.4709 1.4845 1.8382 1.8414 2.2744 2.2803 2.2987 2.3069 3.0855 3.1114 3.1248 3.1365 3.2319 3.2525 3.2635 3.2933 4.1356 4.1634 4.2298 4.2377 4.2553 4.2695 4.5553 4.6003 4.6069 4.6459 4.7851 4.8353 4.8490 4.8977 4.9093 4.9481 5.2370 5.2476 5.3607 5.3654 5.8451 5.8583 5.9119 5.9182 8.0822 8.0857 8.6864 8.6877 8.7212 8.7216 8.9589 8.9829 9.0195 9.0458 10.4575 10.4601 k = 0.4635 0.4173 0.0616 ( 6538 PWs) bands (ev): -7.6691 -7.6691 -7.2080 -7.2074 -6.6422 -6.6419 -6.6293 -6.6282 -2.4731 -2.4286 -2.4271 -2.4129 -2.0949 -1.9645 -1.8028 -1.7784 -1.7465 -1.7340 -1.6716 -1.5862 1.4459 1.4524 1.4671 1.4849 1.8278 1.8319 2.2674 2.2771 2.2953 2.3079 3.0756 3.1076 3.1163 3.1342 3.2246 3.2541 3.2616 3.2985 4.1228 4.1585 4.2350 4.2363 4.2471 4.2562 4.5406 4.6098 4.6177 4.6571 4.7724 4.8367 4.8556 4.9000 4.9196 4.9513 5.2470 5.2618 5.3526 5.3580 5.8344 5.8469 5.9181 5.9308 8.0866 8.0915 8.6959 8.6983 8.7392 8.7396 8.9858 9.0183 9.0327 9.0661 10.4761 10.4795 k = 0.4544 0.4297 0.0770 ( 6538 PWs) bands (ev): -7.6671 -7.6671 -7.2041 -7.2033 -6.6492 -6.6489 -6.6292 -6.6279 -2.4844 -2.4297 -2.4291 -2.4101 -2.1081 -1.9558 -1.8030 -1.7713 -1.7457 -1.7321 -1.6702 -1.5676 1.4536 1.4590 1.4659 1.4852 1.8151 1.8198 2.2583 2.2718 2.2921 2.3086 3.0649 3.0974 3.1101 3.1312 3.2166 3.2527 3.2636 3.3030 4.1081 4.1506 4.2162 4.2328 4.2483 4.2561 4.5270 4.6209 4.6297 4.6654 4.7635 4.8384 4.8632 4.8925 4.9403 4.9536 5.2590 5.2789 5.3442 5.3494 5.8189 5.8303 5.9285 5.9476 8.0921 8.0987 8.7070 8.7100 8.7643 8.7650 9.0201 9.0506 9.0612 9.0900 10.4999 10.5041 k = 0.4453 0.4421 0.0924 ( 6522 PWs) bands (ev): -7.6648 -7.6648 -7.1993 -7.1984 -6.6577 -6.6572 -6.6291 -6.6275 -2.4961 -2.4339 -2.4293 -2.4078 -2.1190 -1.9505 -1.8029 -1.7649 -1.7437 -1.7301 -1.6644 -1.5481 1.4566 1.4624 1.4756 1.4861 1.8002 1.8056 2.2472 2.2638 2.2891 2.3086 3.0534 3.0827 3.1050 3.1274 3.2082 3.2482 3.2695 3.3067 4.0914 4.1396 4.1936 4.2146 4.2556 4.2668 4.5150 4.6331 4.6424 4.6704 4.7593 4.8389 4.8717 4.8872 4.9553 4.9609 5.2714 5.2983 5.3373 5.3403 5.7990 5.8096 5.9424 5.9670 8.0985 8.1069 8.7197 8.7225 8.7972 8.7974 9.0604 9.0738 9.1099 9.1182 10.5287 10.5338 k = 0.4362 0.4545 0.1077 ( 6522 PWs) bands (ev): -7.6622 -7.6622 -7.1937 -7.1926 -6.6673 -6.6668 -6.6289 -6.6271 -2.5079 -2.4399 -2.4294 -2.4059 -2.1276 -1.9481 -1.8025 -1.7603 -1.7412 -1.7283 -1.6536 -1.5281 1.4526 1.4708 1.4891 1.4892 1.7836 1.7893 2.2344 2.2534 2.2858 2.3074 3.0415 3.0660 3.0992 3.1225 3.1997 3.2420 3.2774 3.3097 4.0724 4.1250 4.1694 4.1929 4.2660 4.2786 4.5048 4.6454 4.6544 4.6728 4.7602 4.8367 4.8807 4.8862 4.9567 4.9812 5.2808 5.3165 5.3347 5.3355 5.7755 5.7857 5.9589 5.9882 8.1056 8.1162 8.7341 8.7358 8.8366 8.8376 9.0966 9.1111 9.1451 9.1690 10.5623 10.5685 k = 0.4270 0.4669 0.1231 ( 6522 PWs) bands (ev): -7.6594 -7.6593 -7.1872 -7.1859 -6.6782 -6.6776 -6.6287 -6.6266 -2.5198 -2.4478 -2.4294 -2.4041 -2.1340 -1.9481 -1.8020 -1.7569 -1.7389 -1.7265 -1.6381 -1.5078 1.4488 1.4759 1.4976 1.5046 1.7655 1.7714 2.2199 2.2409 2.2818 2.3047 3.0294 3.0486 3.0924 3.1165 3.1913 3.2345 3.2865 3.3122 4.0510 4.1065 4.1444 4.1703 4.2780 4.2912 4.4965 4.6572 4.6623 4.6768 4.7653 4.8310 4.8896 4.8907 4.9586 5.0010 5.2830 5.3162 5.3429 5.3496 5.7492 5.7597 5.9770 6.0102 8.1132 8.1262 8.7499 8.7500 8.8822 8.8851 9.1275 9.1632 9.1770 9.2312 10.6007 10.6081 k = 0.4179 0.4793 0.1385 ( 6526 PWs) bands (ev): -7.6564 -7.6564 -7.1799 -7.1785 -6.6900 -6.6894 -6.6285 -6.6261 -2.5315 -2.4572 -2.4292 -2.4023 -2.1384 -1.9500 -1.8012 -1.7541 -1.7375 -1.7247 -1.6189 -1.4876 1.4456 1.4781 1.5109 1.5220 1.7462 1.7522 2.2042 2.2266 2.2765 2.3001 3.0174 3.0311 3.0844 3.1091 3.1833 3.2258 3.2966 3.3143 4.0270 4.0837 4.1192 4.1479 4.2911 4.3044 4.4902 4.6633 4.6679 4.6859 4.7735 4.8227 4.8977 4.8999 4.9619 5.0200 5.2791 5.3084 5.3582 5.3741 5.7208 5.7322 5.9961 6.0326 8.1210 8.1367 8.7648 8.7668 8.9336 8.9388 9.1613 9.2108 9.2213 9.2991 10.6438 10.6526 k = 0.4088 0.4917 0.1539 ( 6518 PWs) bands (ev): -7.6534 -7.6533 -7.1718 -7.1702 -6.7027 -6.7020 -6.6282 -6.6256 -2.5429 -2.4678 -2.4288 -2.4006 -2.1410 -1.9533 -1.8001 -1.7515 -1.7369 -1.7230 -1.5973 -1.4677 1.4433 1.4798 1.5267 1.5410 1.7264 1.7321 2.1872 2.2107 2.2696 2.2933 3.0056 3.0141 3.0752 3.1003 3.1758 3.2159 3.3075 3.3163 4.0005 4.0572 4.0942 4.1260 4.3052 4.3179 4.4860 4.6625 4.6769 4.6961 4.7835 4.8131 4.9041 4.9131 4.9678 5.0383 5.2734 5.3011 5.3768 5.4001 5.6914 5.7046 6.0154 6.0546 8.1288 8.1476 8.7800 8.7843 8.9901 8.9979 9.1984 9.2466 9.2847 9.3722 10.6915 10.7022 k = 0.3997 0.5041 0.1693 ( 6512 PWs) bands (ev): -7.6504 -7.6504 -7.1629 -7.1612 -6.7160 -6.7152 -6.6279 -6.6251 -2.5539 -2.4793 -2.4282 -2.3988 -2.1420 -1.9576 -1.7989 -1.7489 -1.7369 -1.7213 -1.5745 -1.4485 1.4423 1.4820 1.5437 1.5612 1.7066 1.7116 2.1691 2.1935 2.2608 2.2843 2.9942 2.9981 3.0649 3.0899 3.1689 3.2051 3.3185 3.3189 3.9717 4.0276 4.0698 4.1045 4.3200 4.3316 4.4839 4.6623 4.6841 4.7054 4.7947 4.8032 4.9085 4.9294 4.9772 5.0557 5.2681 5.2950 5.3952 5.4258 5.6621 5.6784 6.0344 6.0758 8.1363 8.1584 8.7956 8.8021 9.0509 9.0611 9.2385 9.2842 9.3535 9.4502 10.7439 10.7566 k = 0.3906 0.5165 0.1847 ( 6508 PWs) bands (ev): -7.6476 -7.6475 -7.1532 -7.1514 -6.7297 -6.7289 -6.6275 -6.6245 -2.5645 -2.4914 -2.4274 -2.3971 -2.1418 -1.9626 -1.7975 -1.7462 -1.7373 -1.7197 -1.5512 -1.4302 1.4429 1.4851 1.5602 1.5816 1.6887 1.6920 2.1502 2.1750 2.2501 2.2730 2.9832 2.9833 3.0533 3.0778 3.1626 3.1933 3.3210 3.3308 3.9408 3.9958 4.0459 4.0829 4.3352 4.3452 4.4840 4.6637 4.6890 4.7130 4.7935 4.8059 4.9113 4.9486 4.9903 5.0722 5.2644 5.2908 5.4106 5.4491 5.6350 5.6558 6.0525 6.0957 8.1432 8.1688 8.8113 8.8199 9.1148 9.1269 9.2813 9.3237 9.4281 9.5332 10.8009 10.8160 k = 0.3814 0.5289 0.2001 ( 6506 PWs) bands (ev): -7.6451 -7.6450 -7.1429 -7.1410 -6.7437 -6.7428 -6.6272 -6.6239 -2.5746 -2.5037 -2.4264 -2.3955 -2.1406 -1.9683 -1.7960 -1.7434 -1.7380 -1.7181 -1.5282 -1.4132 1.4453 1.4896 1.5725 1.5987 1.6761 1.6767 2.1305 2.1554 2.2374 2.2594 2.9696 2.9727 3.0404 3.0641 3.1567 3.1809 3.3240 3.3430 3.9086 3.9627 4.0226 4.0612 4.3504 4.3585 4.4863 4.6669 4.6916 4.7192 4.7844 4.8162 4.9139 4.9703 5.0064 5.0877 5.2629 5.2886 5.4195 5.4658 5.6142 5.6399 6.0691 6.1137 8.1491 8.1786 8.8273 8.8375 9.1804 9.1933 9.3265 9.3649 9.5092 9.6211 10.8624 10.8803 k = 0.3723 0.5413 0.2155 ( 6514 PWs) bands (ev): -7.6430 -7.6429 -7.1318 -7.1298 -6.7577 -6.7568 -6.6268 -6.6233 -2.5840 -2.5161 -2.4253 -2.3941 -2.1386 -1.9744 -1.7943 -1.7407 -1.7387 -1.7166 -1.5060 -1.3977 1.4497 1.4956 1.5747 1.6038 1.6748 1.6749 2.1104 2.1350 2.2227 2.2436 2.9572 2.9623 3.0263 3.0490 3.1512 3.1679 3.3278 3.3554 3.8755 3.9288 3.9997 4.0393 4.3653 4.3712 4.4909 4.6721 4.6918 4.7241 4.7761 4.8242 4.9175 4.9943 5.0254 5.1021 5.2641 5.2886 5.4186 5.4696 5.6061 5.6338 6.0838 6.1295 8.1538 8.1873 8.8437 8.8548 9.2462 9.2584 9.3735 9.4075 9.5974 9.7142 10.9279 10.9493 k = 0.3632 0.5537 0.2309 ( 6508 PWs) bands (ev): -7.6415 -7.6414 -7.1201 -7.1180 -6.7714 -6.7705 -6.6264 -6.6227 -2.5927 -2.5283 -2.4240 -2.3926 -2.1358 -1.9809 -1.7924 -1.7401 -1.7374 -1.7151 -1.4849 -1.3840 1.4562 1.5035 1.5643 1.5923 1.6878 1.6909 2.0899 2.1139 2.2064 2.2259 2.9460 2.9519 3.0109 3.0326 3.1461 3.1546 3.3323 3.3679 3.8420 3.8946 3.9773 4.0173 4.3794 4.3833 4.4980 4.6790 4.6899 4.7281 4.7689 4.8293 4.9231 5.0204 5.0471 5.1156 5.2683 5.2910 5.4072 5.4574 5.6137 5.6382 6.0962 6.1426 8.1568 8.1944 8.8609 8.8721 9.3106 9.3206 9.4215 9.4512 9.6935 9.8129 10.9970 11.0227 k = 0.3541 0.5661 0.2463 ( 6506 PWs) bands (ev): -7.6407 -7.6406 -7.1078 -7.1055 -6.7848 -6.7838 -6.6260 -6.6221 -2.6007 -2.5401 -2.4225 -2.3914 -2.1326 -1.9877 -1.7904 -1.7412 -1.7345 -1.7136 -1.4652 -1.3722 1.4650 1.5132 1.5458 1.5730 1.7106 1.7166 2.0692 2.0923 2.1886 2.2065 2.9355 2.9409 2.9944 3.0152 3.1411 3.1412 3.3377 3.3804 3.8086 3.8604 3.9553 3.9953 4.3926 4.3947 4.5076 4.6861 4.6872 4.7319 4.7630 4.8313 4.9307 5.0482 5.0712 5.1280 5.2754 5.2956 5.3874 5.4343 5.6319 5.6508 6.1059 6.1527 8.1581 8.1998 8.8791 8.8896 9.3719 9.3787 9.4695 9.4957 9.7977 9.9174 11.0678 11.1002 k = 0.3450 0.5785 0.2617 ( 6514 PWs) bands (ev): -7.6408 -7.6407 -7.0949 -7.0925 -6.7974 -6.7964 -6.6256 -6.6215 -2.6079 -2.5515 -2.4209 -2.3902 -2.1289 -1.9948 -1.7884 -1.7425 -1.7315 -1.7122 -1.4472 -1.3625 1.4753 1.5205 1.5278 1.5519 1.7388 1.7464 2.0487 2.0705 2.1696 2.1858 2.9252 2.9290 2.9768 2.9969 3.1281 3.1366 3.3438 3.3928 3.7757 3.8264 3.9339 3.9736 4.4045 4.4054 4.5198 4.6805 4.6956 4.7364 4.7581 4.8306 4.9397 5.0775 5.0975 5.1393 5.2855 5.3025 5.3626 5.4065 5.6547 5.6682 6.1124 6.1594 8.1573 8.2029 8.8988 8.9079 9.4288 9.4318 9.5168 9.5403 9.9099 10.0279 11.1309 11.1810 k = 0.3359 0.5909 0.2771 ( 6514 PWs) bands (ev): -7.6419 -7.6418 -7.0814 -7.0789 -6.8091 -6.8080 -6.6251 -6.6209 -2.6143 -2.5624 -2.4191 -2.3892 -2.1249 -2.0022 -1.7862 -1.7438 -1.7285 -1.7109 -1.4310 -1.3551 1.4843 1.4981 1.5340 1.5399 1.7706 1.7783 2.0284 2.0489 2.1498 2.1640 2.9144 2.9154 2.9585 2.9784 3.1156 3.1324 3.3507 3.4050 3.7434 3.7930 3.9133 3.9524 4.4150 4.4153 4.5344 4.6737 4.7030 4.7432 4.7545 4.8281 4.9495 5.1081 5.1259 5.1494 5.2980 5.3109 5.3363 5.3779 5.6784 5.6876 6.1155 6.1623 8.1546 8.2036 8.9203 8.9274 9.4796 9.4800 9.5626 9.5846 10.0297 10.1446 11.1506 11.2188 k = 0.3267 0.6033 0.2925 ( 6514 PWs) bands (ev): -7.6442 -7.6441 -7.0675 -7.0648 -6.8197 -6.8186 -6.6247 -6.6203 -2.6199 -2.5726 -2.4172 -2.3883 -2.1205 -2.0100 -1.7839 -1.7453 -1.7255 -1.7096 -1.4168 -1.3500 1.4731 1.4816 1.5304 1.5558 1.8050 1.8111 2.0088 2.0280 2.1298 2.1414 2.8995 2.9022 2.9399 2.9600 3.1041 3.1287 3.3583 3.4169 3.7122 3.7602 3.8935 3.9319 4.4246 4.4246 4.5508 4.6660 4.7078 4.7517 4.7534 4.8244 4.9596 5.1392 5.1557 5.1585 5.3013 5.3176 5.3221 5.3538 5.7016 5.7072 6.1149 6.1613 8.1499 8.2018 8.9435 8.9484 9.5215 9.5249 9.6065 9.6277 10.1564 10.2673 11.1444 11.1971 k = 0.3176 0.6157 0.3078 ( 6510 PWs) bands (ev): -7.6478 -7.6477 -7.0530 -7.0503 -6.8289 -6.8278 -6.6243 -6.6197 -2.6245 -2.5822 -2.4152 -2.3876 -2.1159 -2.0180 -1.7815 -1.7468 -1.7225 -1.7084 -1.4046 -1.3474 1.4477 1.4641 1.5446 1.5738 1.8413 1.8431 1.9904 2.0089 2.1102 2.1184 2.8810 2.8876 2.9215 2.9421 3.0940 3.1257 3.3663 3.4283 3.6822 3.7283 3.8749 3.9122 4.4332 4.4333 4.5688 4.6578 4.7100 4.7498 4.7668 4.8202 4.9696 5.1593 5.1767 5.1856 5.2797 5.3085 5.3379 5.3503 5.7229 5.7256 6.1105 6.1562 8.1435 8.1976 8.9687 8.9712 9.5576 9.5632 9.6483 9.6693 10.2895 10.3956 11.1328 11.1740 k = 0.3176 0.6157 0.3078 ( 6510 PWs) bands (ev): -7.6478 -7.6477 -7.0530 -7.0503 -6.8289 -6.8278 -6.6243 -6.6197 -2.6245 -2.5822 -2.4152 -2.3876 -2.1159 -2.0180 -1.7815 -1.7468 -1.7225 -1.7084 -1.4046 -1.3474 1.4477 1.4641 1.5446 1.5738 1.8413 1.8431 1.9904 2.0089 2.1102 2.1184 2.8810 2.8876 2.9215 2.9421 3.0940 3.1257 3.3663 3.4283 3.6822 3.7283 3.8749 3.9122 4.4332 4.4333 4.5688 4.6578 4.7100 4.7498 4.7668 4.8202 4.9696 5.1593 5.1767 5.1856 5.2797 5.3085 5.3379 5.3503 5.7229 5.7256 6.1105 6.1562 8.1435 8.1976 8.9687 8.9712 9.5576 9.5632 9.6483 9.6693 10.2895 10.3956 11.1328 11.1740 k = 0.2989 0.6103 0.3146 ( 6503 PWs) bands (ev): -7.6503 -7.6502 -7.0462 -7.0434 -6.8320 -6.8308 -6.6242 -6.6196 -2.6263 -2.5861 -2.4143 -2.3873 -2.1139 -2.0216 -1.7805 -1.7474 -1.7212 -1.7078 -1.4002 -1.3472 1.4343 1.4545 1.5556 1.5854 1.8532 1.8589 1.9771 1.9997 2.1061 2.1122 2.8599 2.8696 2.9249 2.9452 3.0903 3.1244 3.3695 3.4326 3.6678 3.7128 3.8689 3.9051 4.4324 4.4420 4.5768 4.6542 4.7099 4.7479 4.7741 4.8185 4.9742 5.1607 5.1892 5.1986 5.2716 5.3014 5.3456 5.3573 5.7294 5.7317 6.1090 6.1542 8.1405 8.1953 8.9802 8.9851 9.5621 9.5739 9.6709 9.6948 10.3488 10.4526 11.1255 11.1618 k = 0.2802 0.6049 0.3213 ( 6505 PWs) bands (ev): -7.6540 -7.6539 -7.0389 -7.0362 -6.8337 -6.8323 -6.6246 -6.6199 -2.6280 -2.5899 -2.4133 -2.3871 -2.1121 -2.0254 -1.7796 -1.7481 -1.7199 -1.7073 -1.3967 -1.3479 1.4203 1.4437 1.5707 1.6006 1.8604 1.8740 1.9557 1.9884 2.1096 2.1124 2.8280 2.8384 2.9384 2.9596 3.0872 3.1229 3.3720 3.4357 3.6508 3.6949 3.8661 3.9001 4.4323 4.4510 4.5845 4.6505 4.7084 4.7442 4.7822 4.8171 4.9795 5.1605 5.1987 5.2117 5.2669 5.2963 5.3526 5.3690 5.7313 5.7347 6.1095 6.1541 8.1375 8.1931 8.9943 9.0040 9.5587 9.5758 9.7001 9.7277 10.4078 10.5090 11.1154 11.1465 k = 0.2616 0.5995 0.3280 ( 6501 PWs) bands (ev): -7.6585 -7.6584 -7.0317 -7.0289 -6.8338 -6.8320 -6.6254 -6.6206 -2.6295 -2.5935 -2.4123 -2.3869 -2.1104 -2.0294 -1.7786 -1.7488 -1.7185 -1.7067 -1.3941 -1.3493 1.4081 1.4335 1.5881 1.6171 1.8611 1.8859 1.9317 1.9791 2.1162 2.1184 2.7928 2.8029 2.9543 2.9773 3.0846 3.1213 3.3736 3.4377 3.6319 3.6761 3.8656 3.8969 4.4328 4.4600 4.5915 4.6471 4.7055 4.7397 4.7904 4.8162 4.9857 5.1596 5.2053 5.2240 5.2658 5.2942 5.3607 5.3826 5.7296 5.7346 6.1109 6.1547 8.1348 8.1910 9.0125 9.0273 9.5543 9.5756 9.7307 9.7614 10.4657 10.5642 11.1032 11.1289 k = 0.2429 0.5941 0.3347 ( 6499 PWs) bands (ev): -7.6637 -7.6636 -7.0249 -7.0222 -6.8320 -6.8298 -6.6266 -6.6217 -2.6309 -2.5971 -2.4112 -2.3867 -2.1088 -2.0334 -1.7777 -1.7495 -1.7171 -1.7062 -1.3922 -1.3515 1.3983 1.4248 1.6068 1.6339 1.8530 1.8869 1.9156 1.9756 2.1219 2.1303 2.7558 2.7653 2.9709 2.9960 3.0829 3.1196 3.3743 3.4385 3.6119 3.6573 3.8663 3.8951 4.4339 4.4691 4.5973 4.6442 4.7012 4.7348 4.7982 4.8155 4.9929 5.1583 5.2096 5.2348 5.2677 5.2948 5.3705 5.3976 5.7251 5.7316 6.1117 6.1548 8.1329 8.1891 9.0354 9.0553 9.5514 9.5765 9.7604 9.7935 10.5222 10.6176 11.0895 11.1095 k = 0.2242 0.5887 0.3414 ( 6501 PWs) bands (ev): -7.6694 -7.6693 -7.0189 -7.0163 -6.8282 -6.8257 -6.6283 -6.6234 -2.6321 -2.6005 -2.4101 -2.3867 -2.1073 -2.0375 -1.7767 -1.7502 -1.7158 -1.7057 -1.3910 -1.3543 1.3913 1.4183 1.6257 1.6504 1.8368 1.8676 1.9187 1.9782 2.1284 2.1440 2.7174 2.7269 2.9873 3.0152 3.0821 3.1180 3.3741 3.4380 3.5917 3.6394 3.8679 3.8943 4.4356 4.4780 4.6012 4.6422 4.6955 4.7299 4.8052 4.8152 5.0010 5.1568 5.2124 5.2441 5.2718 5.2977 5.3822 5.4136 5.7188 5.7265 6.1108 6.1532 8.1319 8.1877 9.0633 9.0882 9.5509 9.5794 9.7882 9.8235 10.5766 10.6684 11.0747 11.0893 k = 0.2055 0.5833 0.3481 ( 6495 PWs) bands (ev): -7.6752 -7.6751 -7.0140 -7.0116 -6.8225 -6.8195 -6.6305 -6.6255 -2.6331 -2.6038 -2.4089 -2.3867 -2.1058 -2.0417 -1.7757 -1.7509 -1.7146 -1.7052 -1.3904 -1.3575 1.3870 1.4140 1.6443 1.6662 1.8159 1.8439 1.9263 1.9841 2.1352 2.1585 2.6779 2.6885 3.0030 3.0343 3.0826 3.1170 3.3728 3.4362 3.5723 3.6225 3.8699 3.8940 4.4379 4.4867 4.6025 4.6416 4.6885 4.7255 4.8110 4.8153 5.0101 5.1553 5.2145 5.2519 5.2773 5.3020 5.3961 5.4309 5.7116 5.7201 6.1069 6.1488 8.1324 8.1871 9.0963 9.1258 9.5530 9.5843 9.8141 9.8513 10.6285 10.7156 11.0584 11.0699 k = 0.1868 0.5779 0.3548 ( 6496 PWs) bands (ev): -7.6811 -7.6810 -7.0102 -7.0079 -6.8149 -6.8116 -6.6334 -6.6283 -2.6339 -2.6069 -2.4076 -2.3868 -2.1043 -2.0459 -1.7747 -1.7517 -1.7134 -1.7048 -1.3903 -1.3610 1.3851 1.4119 1.6612 1.6813 1.7931 1.8222 1.9337 1.9908 2.1423 2.1736 2.6377 2.6506 3.0169 3.0531 3.0842 3.1176 3.3704 3.4329 3.5544 3.6068 3.8721 3.8941 4.4407 4.4951 4.6010 4.6427 4.6806 4.7215 4.8143 4.8170 5.0200 5.1540 5.2163 5.2585 5.2835 5.3068 5.4123 5.4494 5.7041 5.7129 6.0990 6.1407 8.1346 8.1874 9.1341 9.1678 9.5576 9.5911 9.8383 9.8769 10.6770 10.7578 11.0383 11.0547 k = 0.1681 0.5725 0.3615 ( 6490 PWs) bands (ev): -7.6868 -7.6867 -7.0075 -7.0054 -6.8058 -6.8021 -6.6368 -6.6317 -2.6345 -2.6099 -2.4063 -2.3869 -2.1028 -2.0501 -1.7737 -1.7525 -1.7122 -1.7044 -1.3905 -1.3648 1.3856 1.4117 1.6738 1.6961 1.7705 1.8051 1.9401 1.9967 2.1496 2.1887 2.5974 2.6137 3.0282 3.0714 3.0861 3.1217 3.3670 3.4279 3.5388 3.5924 3.8744 3.8943 4.4442 4.5031 4.5972 4.6448 4.6723 4.7178 4.8149 4.8205 5.0305 5.1527 5.2183 5.2637 5.2898 5.3116 5.4309 5.4694 5.6971 5.7060 6.0867 6.1284 8.1389 8.1890 9.1760 9.2134 9.5643 9.5994 9.8611 9.9007 10.7209 10.7931 11.0148 11.0436 k = 0.1495 0.5671 0.3683 ( 6493 PWs) bands (ev): -7.6922 -7.6921 -7.0058 -7.0039 -6.7954 -6.7914 -6.6409 -6.6357 -2.6349 -2.6128 -2.4050 -2.3873 -2.1013 -2.0544 -1.7726 -1.7534 -1.7111 -1.7041 -1.3910 -1.3686 1.3881 1.4132 1.6794 1.7099 1.7510 1.7946 1.9455 2.0010 2.1572 2.2036 2.5575 2.5782 3.0363 3.0853 3.0907 3.1306 3.3625 3.4209 3.5259 3.5793 3.8767 3.8945 4.4482 4.5106 4.5919 4.6467 4.6646 4.7143 4.8154 4.8233 5.0413 5.1514 5.2206 5.2674 5.2960 5.3159 5.4518 5.4904 5.6913 5.7001 6.0696 6.1114 8.1451 8.1918 9.2213 9.2616 9.5728 9.6085 9.8829 9.9229 10.7585 10.8193 10.9886 11.0342 k = 0.1308 0.5616 0.3750 ( 6495 PWs) bands (ev): -7.6973 -7.6972 -7.0047 -7.0031 -6.7840 -6.7798 -6.6457 -6.6404 -2.6352 -2.6156 -2.4036 -2.3877 -2.0996 -2.0585 -1.7714 -1.7543 -1.7101 -1.7038 -1.3916 -1.3725 1.3922 1.4159 1.6776 1.7128 1.7444 1.7914 1.9498 2.0031 2.1653 2.2181 2.5188 2.5443 3.0418 3.0847 3.1082 3.1436 3.3569 3.4118 3.5162 3.5673 3.8789 3.8947 4.4528 4.5173 4.5858 4.6456 4.6602 4.7109 4.8160 4.8251 5.0521 5.1498 5.2234 5.2698 5.3017 5.3196 5.4747 5.5119 5.6872 5.6966 6.0477 6.0899 8.1531 8.1957 9.2686 9.3109 9.5826 9.6181 9.9042 9.9441 10.7879 10.8353 10.9584 11.0216 k = 0.1121 0.5562 0.3817 ( 6489 PWs) bands (ev): -7.7018 -7.7017 -7.0042 -7.0028 -6.7721 -6.7676 -6.6512 -6.6459 -2.6351 -2.6182 -2.4022 -2.3882 -2.0978 -2.0626 -1.7702 -1.7553 -1.7092 -1.7037 -1.3922 -1.3761 1.3975 1.4193 1.6708 1.6993 1.7556 1.7940 1.9535 2.0029 2.1741 2.2320 2.4820 2.5126 3.0458 3.0824 3.1263 3.1587 3.3506 3.4010 3.5095 3.5566 3.8810 3.8947 4.4580 4.5227 4.5799 4.6395 4.6611 4.7075 4.8168 4.8262 5.0629 5.1478 5.2267 5.2708 5.3069 5.3225 5.4988 5.5327 5.6852 5.6975 6.0215 6.0642 8.1626 8.2004 9.3164 9.3592 9.5935 9.6277 9.9256 9.9644 10.8072 10.8423 10.9227 10.9971 k = 0.0934 0.5508 0.3884 ( 6491 PWs) bands (ev): -7.7058 -7.7057 -7.0041 -7.0029 -6.7600 -6.7553 -6.6573 -6.6520 -2.6349 -2.6206 -2.4007 -2.3889 -2.0960 -2.0666 -1.7690 -1.7563 -1.7083 -1.7036 -1.3927 -1.3796 1.4036 1.4231 1.6617 1.6836 1.7704 1.7998 1.9566 2.0007 2.1837 2.2446 2.4480 2.4831 3.0489 3.0794 3.1442 3.1742 3.3437 3.3889 3.5055 3.5468 3.8829 3.8945 4.4638 4.5260 4.5755 4.6315 4.6643 4.7039 4.8176 4.8266 5.0734 5.1451 5.2304 5.2704 5.3114 5.3248 5.5225 5.5512 5.6865 5.7044 5.9914 6.0346 8.1728 8.2053 9.3627 9.4043 9.6050 9.6367 9.9475 9.9843 10.8146 10.8430 10.8823 10.9560 k = 0.0747 0.5454 0.3951 ( 6486 PWs) bands (ev): -7.7091 -7.7091 -7.0042 -7.0032 -6.7478 -6.7430 -6.6642 -6.6589 -2.6344 -2.6229 -2.3993 -2.3897 -2.0939 -2.0704 -1.7677 -1.7574 -1.7074 -1.7037 -1.3930 -1.3827 1.4100 1.4266 1.6529 1.6694 1.7844 1.8064 1.9595 1.9968 2.1944 2.2553 2.4182 2.4563 3.0516 3.0761 3.1614 3.1888 3.3370 3.3761 3.5037 3.5381 3.8848 3.8941 4.4703 4.5260 4.5738 4.6232 4.6681 4.7003 4.8186 4.8265 5.0835 5.1416 5.2346 5.2688 5.3152 5.3263 5.5438 5.5657 5.6932 5.7187 5.9584 6.0019 8.1833 8.2099 9.4055 9.4436 9.6167 9.6447 9.9703 10.0035 10.8040 10.8378 10.8479 10.9059 k = 0.0560 0.5400 0.4018 ( 6488 PWs) bands (ev): -7.7118 -7.7117 -7.0043 -7.0036 -6.7359 -6.7311 -6.6717 -6.6665 -2.6337 -2.6250 -2.3979 -2.3906 -2.0917 -2.0740 -1.7664 -1.7586 -1.7067 -1.7038 -1.3931 -1.3855 1.4162 1.4294 1.6455 1.6575 1.7967 1.8124 1.9626 1.9916 2.2062 2.2626 2.3944 2.4324 3.0543 3.0727 3.1775 3.2012 3.3311 3.3632 3.5038 3.5303 3.8865 3.8935 4.4772 4.5224 4.5753 4.6150 4.6721 4.6965 4.8196 4.8260 5.0932 5.1372 5.2392 5.2662 5.3186 5.3271 5.5604 5.5754 5.7073 5.7397 5.9238 5.9670 8.1931 8.2135 9.4428 9.4745 9.6284 9.6509 9.9934 10.0212 10.7716 10.8093 10.8415 10.8661 k = 0.0374 0.5346 0.4085 ( 6486 PWs) bands (ev): -7.7137 -7.7136 -7.0044 -7.0040 -6.7246 -6.7198 -6.6797 -6.6747 -2.6328 -2.6269 -2.3965 -2.3916 -2.0893 -2.0775 -1.7651 -1.7599 -1.7060 -1.7041 -1.3929 -1.3879 1.4218 1.4309 1.6404 1.6483 1.8066 1.8168 1.9660 1.9859 2.2193 2.2641 2.3797 2.4115 3.0570 3.0693 3.1918 3.2099 3.3275 3.3509 3.5054 3.5234 3.8880 3.8928 4.4848 4.5163 4.5796 4.6070 4.6762 4.6926 4.8208 4.8252 5.1023 5.1318 5.2441 5.2627 5.3214 5.3272 5.5716 5.5807 5.7291 5.7648 5.8901 5.9311 8.2018 8.2155 9.4726 9.4954 9.6390 9.6548 10.0153 10.0355 10.7377 10.7685 10.8394 10.8487 k = 0.0187 0.5292 0.4152 ( 6478 PWs) bands (ev): -7.7148 -7.7148 -7.0045 -7.0043 -6.7143 -6.7103 -6.6871 -6.6830 -2.6316 -2.6287 -2.3952 -2.3927 -2.0866 -2.0807 -1.7637 -1.7611 -1.7054 -1.7044 -1.3923 -1.3898 1.4263 1.4310 1.6379 1.6419 1.8137 1.8187 1.9700 1.9801 2.2332 2.2583 2.3758 2.3942 3.0599 3.0661 3.2034 3.2134 3.3275 3.3400 3.5083 3.5174 3.8895 3.8918 4.4926 4.5088 4.5854 4.5994 4.6803 4.6886 4.8220 4.8242 5.1108 5.1256 5.2490 5.2585 5.3237 5.3266 5.5782 5.5825 5.7561 5.7855 5.8648 5.8963 8.2086 8.2155 9.4936 9.5055 9.6477 9.6558 10.0329 10.0437 10.7165 10.7331 10.8384 10.8418 k = 0.0000 0.5238 0.4220 ( 6474 PWs) bands (ev): -7.7152 -7.7152 -7.0044 -7.0044 -6.7074 -6.7074 -6.6893 -6.6893 -2.6302 -2.6302 -2.3939 -2.3939 -2.0838 -2.0838 -1.7624 -1.7624 -1.7048 -1.7048 -1.3912 -1.3912 1.4295 1.4295 1.6384 1.6384 1.8178 1.8178 1.9747 1.9747 2.2470 2.2470 2.3816 2.3816 3.0629 3.0629 3.2110 3.2110 3.3319 3.3319 3.5124 3.5124 3.8907 3.8907 4.5008 4.5008 4.5921 4.5921 4.6845 4.6845 4.8231 4.8231 5.1186 5.1186 5.2539 5.2539 5.3254 5.3254 5.5817 5.5817 5.7812 5.7812 5.8682 5.8682 8.2132 8.2132 9.5047 9.5047 9.6535 9.6535 10.0431 10.0431 10.7144 10.7144 10.8389 10.8389 k = 0.0000 0.5238 0.4220 ( 6474 PWs) bands (ev): -7.7152 -7.7152 -7.0044 -7.0044 -6.7074 -6.7074 -6.6893 -6.6893 -2.6302 -2.6302 -2.3939 -2.3939 -2.0838 -2.0838 -1.7624 -1.7624 -1.7048 -1.7048 -1.3912 -1.3912 1.4295 1.4295 1.6384 1.6384 1.8178 1.8178 1.9747 1.9747 2.2470 2.2470 2.3816 2.3816 3.0629 3.0629 3.2110 3.2110 3.3319 3.3319 3.5124 3.5124 3.8907 3.8907 4.5008 4.5008 4.5921 4.5921 4.6845 4.6845 4.8231 4.8231 5.1186 5.1186 5.2539 5.2539 5.3254 5.3254 5.5817 5.5817 5.7812 5.7812 5.8682 5.8682 8.2132 8.2132 9.5047 9.5047 9.6535 9.6535 10.0431 10.0431 10.7144 10.7144 10.8389 10.8389 k = 0.0089 0.5116 0.4370 ( 6476 PWs) bands (ev): -7.7149 -7.7149 -7.0042 -7.0041 -6.7078 -6.7077 -6.6896 -6.6895 -2.6331 -2.6266 -2.3952 -2.3925 -2.0910 -2.0765 -1.7631 -1.7617 -1.7049 -1.7048 -1.3933 -1.3907 1.4262 1.4305 1.6126 1.6298 1.8207 1.8327 1.9720 1.9774 2.2529 2.2558 2.3837 2.3842 3.0625 3.0639 3.2110 3.2112 3.3304 3.3333 3.5104 3.5154 3.8887 3.8932 4.5004 4.5016 4.5892 4.5948 4.6830 4.6867 4.8226 4.8232 5.1118 5.1232 5.2360 5.2684 5.3153 5.3442 5.5815 5.5862 5.7806 5.7814 5.8665 5.8691 8.2079 8.2119 9.4956 9.5059 9.6542 9.6548 10.0346 10.0503 10.7166 10.7202 10.8358 10.8401 k = 0.0179 0.4995 0.4521 ( 6486 PWs) bands (ev): -7.7140 -7.7140 -7.0034 -7.0033 -6.7090 -6.7089 -6.6902 -6.6901 -2.6352 -2.6223 -2.3964 -2.3910 -2.0981 -2.0691 -1.7637 -1.7609 -1.7049 -1.7047 -1.3970 -1.3918 1.4206 1.4292 1.5673 1.5929 1.8297 1.8437 1.9773 1.9890 2.2715 2.2765 2.3913 2.3913 3.0628 3.0656 3.2111 3.2115 3.3290 3.3348 3.5095 3.5196 3.8872 3.8961 4.5006 4.5030 4.5862 4.5975 4.6823 4.6898 4.8216 4.8230 5.1030 5.1255 5.2194 5.2686 5.3247 5.3673 5.5857 5.5948 5.7798 5.7814 5.8641 5.8692 8.1960 8.2038 9.4789 9.4986 9.6570 9.6582 10.0256 10.0557 10.7265 10.7337 10.8314 10.8399 k = 0.0268 0.4874 0.4672 ( 6484 PWs) bands (ev): -7.7125 -7.7125 -7.0020 -7.0018 -6.7109 -6.7107 -6.6912 -6.6911 -2.6366 -2.6172 -2.3975 -2.3894 -2.1050 -2.0616 -1.7642 -1.7601 -1.7048 -1.7045 -1.4021 -1.3943 1.4126 1.4255 1.5145 1.5434 1.8203 1.8329 2.0040 2.0203 2.2976 2.3029 2.4034 2.4059 3.0638 3.0679 3.2113 3.2120 3.3276 3.3363 3.5098 3.5247 3.8863 3.8992 4.5015 4.5049 4.5829 4.6002 4.6822 4.6939 4.8200 4.8228 5.0928 5.1257 5.2048 5.2585 5.3490 5.3935 5.5937 5.6070 5.7791 5.7813 5.8610 5.8685 8.1780 8.1895 9.4552 9.4825 9.6619 9.6635 10.0165 10.0586 10.7437 10.7545 10.8266 10.8392 k = 0.0357 0.4752 0.4822 ( 6488 PWs) bands (ev): -7.7104 -7.7104 -7.0001 -6.9998 -6.7136 -6.7133 -6.6927 -6.6925 -2.6371 -2.6115 -2.3985 -2.3878 -2.1118 -2.0542 -1.7646 -1.7593 -1.7046 -1.7044 -1.4087 -1.3982 1.4011 1.4193 1.4603 1.4892 1.7920 1.8045 2.0485 2.0658 2.3267 2.3290 2.4211 2.4296 3.0653 3.0708 3.2116 3.2127 3.3262 3.3381 3.5113 3.5309 3.8859 3.9022 4.5031 4.5073 4.5795 4.6031 4.6827 4.6988 4.8179 4.8227 5.0816 5.1243 5.1924 5.2466 5.3793 5.4225 5.6046 5.6218 5.7791 5.7816 5.8573 5.8671 8.1544 8.1695 9.4248 9.4573 9.6689 9.6707 10.0074 10.0583 10.7672 10.7814 10.8233 10.8394 k = 0.0446 0.4631 0.4973 ( 6480 PWs) bands (ev): -7.7078 -7.7078 -6.9976 -6.9973 -6.7170 -6.7166 -6.6945 -6.6943 -2.6369 -2.6052 -2.3994 -2.3861 -2.1184 -2.0466 -1.7649 -1.7584 -1.7044 -1.7043 -1.4167 -1.4034 1.3797 1.4086 1.4135 1.4356 1.7540 1.7672 2.1012 2.1171 2.3518 2.3555 2.4450 2.4628 3.0675 3.0742 3.2120 3.2136 3.3250 3.3400 3.5141 3.5381 3.8861 3.9051 4.5055 4.5102 4.5759 4.6063 4.6836 4.7046 4.8155 4.8230 5.0698 5.1220 5.1817 5.2352 5.4129 5.4540 5.6173 5.6380 5.7807 5.7831 5.8531 5.8651 8.1261 8.1444 9.3881 9.4233 9.6775 9.6795 9.9984 10.0547 10.7944 10.8088 10.8275 10.8432 k = 0.0536 0.4509 0.5124 ( 6472 PWs) bands (ev): -7.7046 -7.7046 -6.9945 -6.9942 -6.7210 -6.7206 -6.6968 -6.6964 -2.6359 -2.5982 -2.4002 -2.3843 -2.1247 -2.0391 -1.7651 -1.7575 -1.7043 -1.7041 -1.4259 -1.4099 1.3347 1.3715 1.3888 1.4061 1.7114 1.7255 2.1565 2.1701 2.3719 2.3830 2.4748 2.5032 3.0702 3.0780 3.2126 3.2147 3.3238 3.3421 3.5181 3.5463 3.8865 3.9075 4.5088 4.5135 4.5724 4.6098 4.6850 4.7113 4.8130 4.8240 5.0578 5.1191 5.1724 5.2245 5.4489 5.4875 5.6302 5.6539 5.7850 5.7872 5.8486 5.8624 8.0939 8.1152 9.3457 9.3811 9.6875 9.6894 9.9895 10.0478 10.8175 10.8184 10.8572 10.8579 k = 0.0625 0.4388 0.5274 ( 6476 PWs) bands (ev): -7.7009 -7.7009 -6.9910 -6.9906 -6.7257 -6.7252 -6.6994 -6.6990 -2.6341 -2.5907 -2.4010 -2.3826 -2.1307 -2.0316 -1.7652 -1.7566 -1.7044 -1.7037 -1.4363 -1.4175 1.2811 1.3171 1.3721 1.3924 1.6667 1.6816 2.2117 2.2228 2.3912 2.4095 2.5090 2.5478 3.0734 3.0823 3.2132 3.2161 3.3229 3.3446 3.5235 3.5554 3.8872 3.9092 4.5129 4.5173 4.5689 4.6136 4.6867 4.7186 4.8107 4.8259 5.0458 5.1163 5.1641 5.2146 5.4866 5.5226 5.6414 5.6671 5.7934 5.7951 5.8441 5.8594 8.0587 8.0826 9.2977 9.3316 9.6986 9.7003 9.9806 10.0379 10.8230 10.8326 10.8868 10.8978 k = 0.0714 0.4267 0.5425 ( 6478 PWs) bands (ev): -7.6967 -7.6967 -6.9869 -6.9865 -6.7310 -6.7305 -6.7025 -6.7020 -2.6316 -2.5828 -2.4017 -2.3809 -2.1364 -2.0242 -1.7653 -1.7557 -1.7046 -1.7034 -1.4477 -1.4261 1.2273 1.2625 1.3555 1.3782 1.6213 1.6369 2.2654 2.2738 2.4111 2.4365 2.5461 2.5945 3.0771 3.0868 3.2139 3.2177 3.3223 3.3474 3.5302 3.5654 3.8879 3.9100 4.5181 4.5214 4.5658 4.6181 4.6887 4.7263 4.8091 4.8288 5.0342 5.1137 5.1567 5.2054 5.5256 5.5586 5.6499 5.6762 5.8065 5.8072 5.8412 5.8564 8.0213 8.0475 9.2447 9.2756 9.7102 9.7117 9.9718 10.0258 10.8314 10.8433 10.9226 10.9380 k = 0.0804 0.4145 0.5576 ( 6482 PWs) bands (ev): -7.6921 -7.6920 -6.9824 -6.9819 -6.7368 -6.7363 -6.7059 -6.7054 -2.6284 -2.5745 -2.4023 -2.3792 -2.1416 -2.0169 -1.7652 -1.7548 -1.7050 -1.7030 -1.4600 -1.4356 1.1746 1.2091 1.3383 1.3626 1.5759 1.5921 2.3161 2.3224 2.4325 2.4648 2.5846 2.6419 3.0811 3.0917 3.2149 3.2195 3.3222 3.3507 3.5383 3.5762 3.8884 3.9097 4.5240 4.5256 4.5633 4.6231 4.6909 4.7342 4.8085 4.8329 5.0232 5.1115 5.1500 5.1967 5.5652 5.5941 5.6562 5.6808 5.8175 5.8229 5.8460 5.8553 7.9825 8.0106 9.1871 9.2140 9.7222 9.7234 9.9630 10.0122 10.8429 10.8547 10.9549 10.9729 k = 0.0893 0.4024 0.5727 ( 6484 PWs) bands (ev): -7.6870 -7.6870 -6.9774 -6.9768 -6.7432 -6.7426 -6.7097 -6.7091 -2.6245 -2.5659 -2.4029 -2.3778 -2.1464 -2.0098 -1.7651 -1.7540 -1.7057 -1.7026 -1.4728 -1.4458 1.1237 1.1573 1.3202 1.3457 1.5312 1.5476 2.3632 2.3677 2.4559 2.4949 2.6240 2.6889 3.0853 3.0967 3.2160 3.2215 3.3225 3.3545 3.5477 3.5877 3.8886 3.9080 4.5298 4.5307 4.5617 4.6289 4.6933 4.7417 4.8097 4.8384 5.0129 5.1096 5.1439 5.1883 5.6045 5.6241 5.6655 5.6824 5.8177 5.8337 5.8642 5.8658 7.9430 7.9729 9.1255 9.1479 9.7342 9.7351 9.9544 9.9979 10.8569 10.8676 10.9729 10.9940 k = 0.0982 0.3902 0.5877 ( 6476 PWs) bands (ev): -7.6816 -7.6816 -6.9719 -6.9713 -6.7499 -6.7493 -6.7139 -6.7133 -2.6198 -2.5570 -2.4034 -2.3765 -2.1504 -2.0029 -1.7649 -1.7531 -1.7066 -1.7022 -1.4860 -1.4565 1.0747 1.1074 1.3015 1.3276 1.4874 1.5040 2.4061 2.4090 2.4819 2.5267 2.6637 2.7350 3.0898 3.1018 3.2173 3.2238 3.3234 3.3588 3.5584 3.5999 3.8881 3.9050 4.5336 4.5378 4.5614 4.6355 4.6960 4.7485 4.8133 4.8453 5.0036 5.1081 5.1384 5.1802 5.6377 5.6406 5.6846 5.6893 5.8135 5.8332 5.8875 5.8936 7.9036 7.9348 9.0605 9.0783 9.7459 9.7467 9.9460 9.9834 10.8728 10.8812 10.9672 10.9931 k = 0.1071 0.3781 0.6028 ( 6482 PWs) bands (ev): -7.6759 -7.6759 -6.9660 -6.9654 -6.7570 -6.7564 -6.7184 -6.7178 -2.6146 -2.5479 -2.4039 -2.3755 -2.1537 -1.9963 -1.7647 -1.7523 -1.7079 -1.7020 -1.4993 -1.4676 1.0279 1.0596 1.2823 1.3086 1.4449 1.4615 2.4450 2.4457 2.5107 2.5596 2.7036 2.7795 3.0944 3.1069 3.2189 3.2262 3.3250 3.3637 3.5704 3.6125 3.8869 3.9004 4.5364 4.5450 4.5628 4.6427 4.6992 4.7540 4.8197 4.8535 4.9954 5.1066 5.1333 5.1721 5.6398 5.6614 5.7003 5.7232 5.8086 5.8292 5.9167 5.9246 7.8648 7.8970 8.9927 9.0061 9.7571 9.7578 9.9378 9.9692 10.8892 10.8928 10.9439 10.9725 k = 0.1161 0.3660 0.6179 ( 6488 PWs) bands (ev): -7.6700 -7.6700 -6.9597 -6.9590 -6.7644 -6.7637 -6.7234 -6.7227 -2.6087 -2.5389 -2.4044 -2.3750 -2.1562 -1.9901 -1.7644 -1.7515 -1.7097 -1.7019 -1.5126 -1.4790 0.9835 1.0140 1.2627 1.2889 1.4040 1.4203 2.4781 2.4804 2.5415 2.5924 2.7434 2.8220 3.0990 3.1121 3.2208 3.2288 3.3275 3.3692 3.5834 3.6255 3.8846 3.8943 4.5384 4.5520 4.5659 4.6502 4.7035 4.7587 4.8288 4.8629 4.9885 5.1050 5.1287 5.1639 5.6390 5.6638 5.7324 5.7590 5.8044 5.8244 5.9481 5.9571 7.8271 7.8600 8.9230 8.9322 9.7676 9.7684 9.9299 9.9556 10.8894 10.9037 10.9271 10.9436 k = 0.1250 0.3538 0.6329 ( 6490 PWs) bands (ev): -7.6639 -7.6639 -6.9530 -6.9523 -6.7720 -6.7713 -6.7287 -6.7279 -2.6022 -2.5299 -2.4049 -2.3750 -2.1575 -1.9845 -1.7641 -1.7507 -1.7118 -1.7020 -1.5254 -1.4904 0.9416 0.9708 1.2431 1.2688 1.3648 1.3808 2.5073 2.5128 2.5731 2.6240 2.7830 2.8621 3.1037 3.1171 3.2230 3.2316 3.3308 3.3754 3.5973 3.6387 3.8812 3.8867 4.5397 4.5584 4.5702 4.6570 4.7097 4.7629 4.8400 4.8732 4.9831 5.1031 5.1246 5.1554 5.6382 5.6622 5.7643 5.7929 5.8038 5.8209 5.9804 5.9900 7.7909 7.8242 8.8521 8.8575 9.7772 9.7782 9.9223 9.9429 10.8623 10.8991 10.9300 10.9320 k = 0.1339 0.3417 0.6480 ( 6496 PWs) bands (ev): -7.6577 -7.6577 -6.9459 -6.9452 -6.7796 -6.7790 -6.7343 -6.7335 -2.5952 -2.5210 -2.4054 -2.3756 -2.1577 -1.9796 -1.7638 -1.7500 -1.7145 -1.7023 -1.5375 -1.5018 0.9023 0.9300 1.2237 1.2486 1.3276 1.3431 2.5343 2.5429 2.6041 2.6536 2.8220 2.8996 3.1082 3.1221 3.2254 3.2344 3.3351 3.3822 3.6119 3.6519 3.8766 3.8776 4.5410 4.5642 4.5751 4.6620 4.7192 4.7674 4.8529 4.8839 4.9794 5.1005 5.1208 5.1466 5.6385 5.6607 5.7801 5.8078 5.8190 5.8351 6.0126 6.0226 7.7568 7.7900 8.7809 8.7829 9.7857 9.7870 9.9149 9.9309 10.8327 10.8714 10.9386 10.9388 k = 0.1429 0.3295 0.6631 ( 6490 PWs) bands (ev): -7.6515 -7.6514 -6.9385 -6.9377 -6.7873 -6.7867 -6.7403 -6.7394 -2.5876 -2.5124 -2.4059 -2.3769 -2.1566 -1.9754 -1.7635 -1.7493 -1.7175 -1.7029 -1.5487 -1.5129 0.8657 0.8919 1.2047 1.2286 1.2925 1.3074 2.5598 2.5709 2.6336 2.6808 2.8600 2.9342 3.1127 3.1269 3.2282 3.2374 3.3404 3.3897 3.6269 3.6648 3.8672 3.8706 4.5425 4.5691 4.5801 4.6645 4.7324 4.7728 4.8666 4.8947 4.9777 5.0972 5.1171 5.1372 5.6408 5.6605 5.7803 5.8044 5.8487 5.8659 6.0440 6.0543 7.7249 7.7577 8.7093 8.7101 9.7930 9.7948 9.9075 9.9197 10.8073 10.8448 10.9414 10.9453 k = 0.1518 0.3174 0.6781 ( 6496 PWs) bands (ev): -7.6453 -7.6453 -6.9309 -6.9300 -6.7949 -6.7943 -6.7466 -6.7457 -2.5796 -2.5042 -2.4065 -2.3790 -2.1540 -1.9723 -1.7633 -1.7486 -1.7209 -1.7039 -1.5588 -1.5237 0.8319 0.8564 1.1864 1.2089 1.2597 1.2739 2.5841 2.5969 2.6609 2.7054 2.8966 2.9658 3.1170 3.1315 3.2312 3.2404 3.3469 3.3979 3.6420 3.6772 3.8555 3.8632 4.5443 4.5732 4.5847 4.6644 4.7490 4.7794 4.8808 4.9049 4.9780 5.0930 5.1134 5.1272 5.6453 5.6622 5.7775 5.7995 5.8796 5.8963 6.0740 6.0844 7.6956 7.7275 8.6375 8.6407 9.7992 9.8015 9.9003 9.9092 10.7876 10.8230 10.9383 10.9462 k = 0.1607 0.3053 0.6932 ( 6502 PWs) bands (ev): -7.6392 -7.6392 -6.9229 -6.9221 -6.8023 -6.8017 -6.7532 -6.7523 -2.5712 -2.4964 -2.4072 -2.3818 -2.1499 -1.9705 -1.7631 -1.7479 -1.7245 -1.7053 -1.5676 -1.5339 0.8010 0.8237 1.1690 1.1900 1.2294 1.2427 2.6071 2.6209 2.6860 2.7274 2.9312 2.9942 3.1212 3.1360 3.2344 3.2434 3.3545 3.4067 3.6569 3.6890 3.8428 3.8545 4.5467 4.5767 4.5888 4.6623 4.7681 4.7876 4.8949 4.9141 4.9802 5.0879 5.1092 5.1165 5.6525 5.6663 5.7745 5.7947 5.9090 5.9245 6.1022 6.1124 7.6690 7.6996 8.5684 8.5734 9.8041 9.8071 9.8931 9.8992 10.7743 10.8070 10.9304 10.9412 k = 0.1696 0.2931 0.7083 ( 6500 PWs) bands (ev): -7.6334 -7.6334 -6.9148 -6.9139 -6.8094 -6.8088 -6.7601 -6.7592 -2.5624 -2.4892 -2.4079 -2.3855 -2.1443 -1.9702 -1.7630 -1.7473 -1.7280 -1.7072 -1.5751 -1.5436 0.7730 0.7938 1.1526 1.1720 1.2017 1.2140 2.6287 2.6427 2.7086 2.7468 2.9636 3.0195 3.1253 3.1403 3.2379 3.2464 3.3632 3.4160 3.6712 3.7001 3.8294 3.8446 4.5497 4.5797 4.5921 4.6588 4.7890 4.7975 4.9087 4.9220 4.9841 5.0820 5.1043 5.1052 5.6622 5.6728 5.7718 5.7902 5.9359 5.9501 6.1279 6.1379 7.6452 7.6741 8.5028 8.5091 9.8079 9.8115 9.8860 9.8898 10.7675 10.7971 10.9202 10.9322 k = 0.1786 0.2810 0.7234 ( 6504 PWs) bands (ev): -7.6279 -7.6279 -6.9064 -6.9055 -6.8161 -6.8155 -6.7673 -6.7663 -2.5533 -2.4828 -2.4088 -2.3898 -2.1373 -1.9715 -1.7627 -1.7467 -1.7313 -1.7095 -1.5812 -1.5525 0.7479 0.7668 1.1375 1.1550 1.1766 1.1878 2.6488 2.6623 2.7288 2.7638 2.9933 3.0416 3.1293 3.1444 3.2415 3.2493 3.3732 3.4255 3.6846 3.7101 3.8154 3.8335 4.5531 4.5822 4.5946 4.6540 4.8090 4.8110 4.9218 4.9290 4.9888 5.0754 5.0934 5.0985 5.6743 5.6817 5.7697 5.7863 5.9600 5.9728 6.1509 6.1606 7.6243 7.6512 8.4415 8.4486 9.8105 9.8147 9.8791 9.8810 10.7672 10.7934 10.9098 10.9220 k = 0.1875 0.2688 0.7384 ( 6508 PWs) bands (ev): -7.6227 -7.6227 -6.8979 -6.8970 -6.8223 -6.8218 -6.7747 -6.7737 -2.5439 -2.4771 -2.4097 -2.3946 -2.1288 -1.9748 -1.7623 -1.7461 -1.7342 -1.7125 -1.5860 -1.5606 0.7259 0.7427 1.1239 1.1394 1.1544 1.1644 2.6671 2.6795 2.7466 2.7783 3.0199 3.0603 3.1332 3.1482 3.2451 3.2521 3.3841 3.4352 3.6970 3.7191 3.8014 3.8215 4.5572 4.5844 4.5964 4.6484 4.8220 4.8334 4.9341 4.9354 4.9936 5.0682 5.0811 5.0915 5.6882 5.6928 5.7682 5.7830 5.9812 5.9925 6.1709 6.1801 7.6064 7.6308 8.3853 8.3927 9.8121 9.8168 9.8724 9.8729 10.7731 10.7955 10.9009 10.9124 k = 0.1964 0.2567 0.7535 ( 6498 PWs) bands (ev): -7.6181 -7.6181 -6.8893 -6.8883 -6.8279 -6.8274 -6.7824 -6.7814 -2.5344 -2.4724 -2.4107 -2.3998 -2.1190 -1.9799 -1.7614 -1.7456 -1.7365 -1.7158 -1.5897 -1.5678 0.7070 0.7215 1.1119 1.1253 1.1352 1.1437 2.6835 2.6944 2.7622 2.7904 3.0433 3.0759 3.1372 3.1519 3.2487 3.2547 3.3960 3.4445 3.7081 3.7269 3.7879 3.8090 4.5618 4.5863 4.5975 4.6421 4.8363 4.8559 4.9416 4.9453 4.9976 5.0604 5.0687 5.0834 5.7031 5.7055 5.7673 5.7803 5.9995 6.0093 6.1878 6.1963 7.5914 7.6130 8.3349 8.3423 9.8129 9.8179 9.8657 9.8663 10.7846 10.8032 10.8940 10.9047 k = 0.2054 0.2446 0.7686 ( 6504 PWs) bands (ev): -7.6140 -7.6140 -6.8807 -6.8797 -6.8328 -6.8324 -6.7902 -6.7892 -2.5248 -2.4690 -2.4118 -2.4050 -2.1080 -1.9870 -1.7600 -1.7450 -1.7383 -1.7198 -1.5923 -1.5741 0.6911 0.7033 1.1017 1.1126 1.1191 1.1260 2.6977 2.7068 2.7757 2.8001 3.0632 3.0883 3.1411 3.1551 3.2521 3.2571 3.4085 3.4529 3.7177 3.7334 3.7753 3.7962 4.5668 4.5881 4.5980 4.6352 4.8515 4.8777 4.9477 4.9553 5.0000 5.0523 5.0566 5.0741 5.7179 5.7188 5.7672 5.7785 6.0148 6.0230 6.2014 6.2091 7.5792 7.5977 8.2912 8.2980 9.8130 9.8180 9.8596 9.8609 10.8008 10.8156 10.8894 10.8990 k = 0.2143 0.2324 0.7836 ( 6508 PWs) bands (ev): -7.6105 -7.6105 -6.8720 -6.8710 -6.8369 -6.8366 -6.7981 -6.7971 -2.5153 -2.4672 -2.4130 -2.4097 -2.0962 -1.9959 -1.7580 -1.7446 -1.7397 -1.7242 -1.5940 -1.5795 0.6783 0.6882 1.0933 1.1015 1.1063 1.1113 2.7096 2.7168 2.7872 2.8075 3.0794 3.0977 3.1451 3.1578 3.2552 3.2591 3.4211 3.4600 3.7257 3.7385 3.7646 3.7837 4.5723 4.5896 4.5980 4.6280 4.8674 4.8980 4.9539 4.9637 5.0003 5.0440 5.0459 5.0637 5.7314 5.7316 5.7679 5.7776 6.0272 6.0339 6.2121 6.2187 7.5698 7.5850 8.2546 8.2606 9.8126 9.8172 9.8548 9.8565 10.8207 10.8316 10.8870 10.8952 k = 0.2232 0.2203 0.7987 ( 6506 PWs) bands (ev): -7.6078 -7.6078 -6.8636 -6.8626 -6.8402 -6.8399 -6.8061 -6.8051 -2.5059 -2.4673 -2.4143 -2.4135 -2.0835 -2.0062 -1.7552 -1.7441 -1.7408 -1.7288 -1.5948 -1.5840 0.6686 0.6761 1.0869 1.0923 1.0967 1.0996 2.7191 2.7244 2.7968 2.8125 3.0920 3.1044 3.1492 3.1598 3.2579 3.2608 3.4335 3.4650 3.7318 3.7422 3.7565 3.7720 4.5783 4.5911 4.5976 4.6206 4.8834 4.9157 4.9602 4.9705 4.9987 5.0357 5.0376 5.0527 5.7422 5.7422 5.7699 5.7779 6.0370 6.0420 6.2201 6.2254 7.5631 7.5747 8.2259 8.2306 9.8120 9.8158 9.8514 9.8530 10.8424 10.8496 10.8862 10.8930 k = 0.2321 0.2081 0.8138 ( 6504 PWs) bands (ev): -7.6058 -7.6057 -6.8556 -6.8546 -6.8425 -6.8422 -6.8137 -6.8128 -2.4968 -2.4697 -2.4160 -2.4155 -2.0704 -2.0179 -1.7518 -1.7437 -1.7416 -1.7336 -1.5949 -1.5877 0.6621 0.6671 1.0825 1.0854 1.0898 1.0912 2.7261 2.7295 2.8045 2.8152 3.1010 3.1085 3.1531 3.1607 3.2601 3.2619 3.4449 3.4672 3.7361 3.7442 3.7519 3.7621 4.5846 4.5924 4.5970 4.6132 4.8992 4.9280 4.9662 4.9751 4.9969 5.0271 5.0323 5.0422 5.7494 5.7494 5.7733 5.7791 6.0440 6.0474 6.2258 6.2294 7.5590 7.5668 8.2052 8.2086 9.8114 9.8141 9.8493 9.8505 10.8630 10.8667 10.8868 10.8919 k = 0.2411 0.1960 0.8288 ( 6502 PWs) bands (ev): -7.6045 -7.6045 -6.8490 -6.8482 -6.8435 -6.8433 -6.8203 -6.8196 -2.4883 -2.4743 -2.4171 -2.4165 -2.0570 -2.0304 -1.7478 -1.7432 -1.7422 -1.7385 -1.5942 -1.5906 0.6586 0.6611 1.0801 1.0812 1.0856 1.0860 2.7306 2.7323 2.8102 2.8157 3.1068 3.1103 3.1565 3.1605 3.2616 3.2625 3.4547 3.4662 3.7389 3.7441 3.7507 3.7550 4.5911 4.5936 4.5964 4.6059 4.9137 4.9314 4.9718 4.9769 4.9993 5.0175 5.0299 5.0342 5.7530 5.7531 5.7772 5.7802 6.0486 6.0503 6.2294 6.2312 7.5573 7.5612 8.1931 8.1948 9.8113 9.8126 9.8483 9.8489 10.8779 10.8789 10.8886 10.8917 k = 0.2500 0.1839 0.8439 ( 6504 PWs) bands (ev): -7.6041 -7.6041 -6.8464 -6.8464 -6.8428 -6.8428 -6.8231 -6.8231 -2.4806 -2.4806 -2.4172 -2.4172 -2.0435 -2.0435 -1.7434 -1.7434 -1.7426 -1.7426 -1.5928 -1.5928 0.6583 0.6583 1.0796 1.0796 1.0842 1.0842 2.7327 2.7327 2.8140 2.8140 3.1097 3.1097 3.1591 3.1591 3.2623 3.2623 3.4620 3.4620 3.7417 3.7417 3.7517 3.7517 4.5945 4.5945 4.5990 4.5990 4.9254 4.9254 4.9758 4.9758 5.0072 5.0072 5.0303 5.0303 5.7541 5.7541 5.7798 5.7798 6.0506 6.0506 6.2312 6.2312 7.5581 7.5581 8.1896 8.1896 9.8116 9.8116 9.8482 9.8482 10.8827 10.8827 10.8914 10.8914 k = 0.2500 0.1839 0.8439 ( 6504 PWs) bands (ev): -7.6041 -7.6041 -6.8464 -6.8464 -6.8428 -6.8428 -6.8231 -6.8231 -2.4806 -2.4806 -2.4172 -2.4172 -2.0435 -2.0435 -1.7434 -1.7434 -1.7426 -1.7426 -1.5928 -1.5928 0.6583 0.6583 1.0796 1.0796 1.0842 1.0842 2.7327 2.7327 2.8140 2.8140 3.1097 3.1097 3.1591 3.1591 3.2623 3.2623 3.4620 3.4620 3.7417 3.7417 3.7517 3.7517 4.5945 4.5945 4.5990 4.5990 4.9254 4.9254 4.9758 4.9758 5.0072 5.0072 5.0303 5.0303 5.7541 5.7541 5.7798 5.7798 6.0506 6.0506 6.2312 6.2312 7.5581 7.5581 8.1896 8.1896 9.8116 9.8116 9.8482 9.8482 10.8827 10.8827 10.8914 10.8914 k = 0.2639 0.1941 0.8312 ( 6498 PWs) bands (ev): -7.6042 -7.6042 -6.8471 -6.8469 -6.8434 -6.8434 -6.8220 -6.8217 -2.4850 -2.4766 -2.4173 -2.4167 -2.0516 -2.0356 -1.7458 -1.7439 -1.7422 -1.7399 -1.5937 -1.5917 0.6587 0.6601 1.0453 1.0468 1.1200 1.1208 2.7196 2.7209 2.8218 2.8251 3.1050 3.1073 3.1565 3.1588 3.2622 3.2629 3.4616 3.4691 3.7370 3.7412 3.7535 3.7560 4.5937 4.5937 4.5957 4.6039 4.9181 4.9285 4.9724 4.9748 5.0035 5.0139 5.0316 5.0350 5.7300 5.7304 5.8040 5.8049 6.0496 6.0506 6.2304 6.2315 7.5523 7.5542 8.1955 8.1968 9.7512 9.7519 9.9079 9.9081 10.8770 10.8772 10.8955 10.8969 k = 0.2778 0.2043 0.8186 ( 6500 PWs) bands (ev): -7.6046 -7.6046 -6.8487 -6.8484 -6.8447 -6.8446 -6.8188 -6.8185 -2.4899 -2.4733 -2.4174 -2.4159 -2.0600 -2.0276 -1.7482 -1.7450 -1.7417 -1.7365 -1.5944 -1.5904 0.6611 0.6639 1.0119 1.0147 1.1601 1.1616 2.6910 2.6933 2.8395 2.8457 3.0928 3.0975 3.1525 3.1564 3.2620 3.2637 3.4666 3.4825 3.7306 3.7392 3.7587 3.7626 4.5904 4.5923 4.5948 4.6098 4.9085 4.9268 4.9663 4.9687 5.0036 5.0182 5.0402 5.0467 5.6967 5.6977 5.8392 5.8404 6.0472 6.0493 6.2292 6.2314 7.5375 7.5402 8.2138 8.2170 9.6762 9.6774 9.9819 9.9821 10.8724 10.8732 10.8963 10.8986 k = 0.2917 0.2145 0.8059 ( 6502 PWs) bands (ev): -7.6051 -7.6051 -6.8514 -6.8514 -6.8457 -6.8455 -6.8146 -6.8145 -2.4951 -2.4705 -2.4174 -2.4145 -2.0685 -2.0198 -1.7507 -1.7461 -1.7411 -1.7329 -1.5947 -1.5889 0.6656 0.6697 0.9817 0.9858 1.2021 1.2043 2.6558 2.6588 2.8581 2.8671 3.0742 3.0806 3.1488 3.1539 3.2616 3.2645 3.4750 3.4992 3.7247 3.7381 3.7649 3.7698 4.5863 4.5908 4.5944 4.6161 4.8980 4.9219 4.9586 4.9594 5.0053 5.0198 5.0543 5.0642 5.6637 5.6650 5.8765 5.8772 6.0432 6.0464 6.2276 6.2309 7.5150 7.5175 8.2434 8.2491 9.6021 9.6036 10.0543 10.0545 10.8725 10.8732 10.8899 10.8935 k = 0.3056 0.2247 0.7932 ( 6508 PWs) bands (ev): -7.6056 -7.6056 -6.8552 -6.8550 -6.8460 -6.8458 -6.8102 -6.8101 -2.5007 -2.4685 -2.4173 -2.4126 -2.0771 -2.0121 -1.7532 -1.7473 -1.7404 -1.7292 -1.5946 -1.5870 0.6720 0.6773 0.9547 0.9600 1.2459 1.2489 2.6169 2.6206 2.8739 2.8862 3.0522 3.0590 3.1457 3.1519 3.2609 3.2650 3.4838 3.5162 3.7205 3.7391 3.7717 3.7775 4.5820 4.5893 4.5940 4.6224 4.8873 4.9154 4.9488 4.9497 5.0066 5.0204 5.0709 5.0858 5.6318 5.6332 5.9144 5.9147 6.0373 6.0418 6.2258 6.2299 7.4871 7.4883 8.2823 8.2911 9.5303 9.5321 10.1229 10.1238 10.8720 10.8722 10.8826 10.8883 k = 0.3194 0.2349 0.7805 ( 6502 PWs) bands (ev): -7.6062 -7.6061 -6.8596 -6.8590 -6.8459 -6.8457 -6.8060 -6.8056 -2.5065 -2.4673 -2.4173 -2.4103 -2.0856 -2.0045 -1.7555 -1.7484 -1.7395 -1.7254 -1.5939 -1.5846 0.6801 0.6866 0.9310 0.9374 1.2913 1.2950 2.5752 2.5796 2.8844 2.9012 3.0309 3.0363 3.1432 3.1506 3.2598 3.2650 3.4907 3.5301 3.7193 3.7426 3.7790 3.7856 4.5776 4.5878 4.5934 4.6286 4.8767 4.9081 4.9377 4.9403 5.0069 5.0204 5.0892 5.1101 5.6012 5.6027 5.9510 5.9530 6.0294 6.0353 6.2238 6.2287 7.4552 7.4562 8.3284 8.3406 9.4618 9.4638 10.1862 10.1881 10.8537 10.8568 10.8945 10.8993 k = 0.3333 0.2452 0.7678 ( 6502 PWs) bands (ev): -7.6066 -7.6066 -6.8643 -6.8634 -6.8455 -6.8453 -6.8021 -6.8013 -2.5126 -2.4668 -2.4172 -2.4076 -2.0941 -1.9973 -1.7578 -1.7495 -1.7385 -1.7217 -1.5925 -1.5815 0.6896 0.6974 0.9105 0.9180 1.3382 1.3426 2.5313 2.5366 2.8863 2.9090 3.0151 3.0174 3.1408 3.1496 3.2585 3.2646 3.4937 3.5385 3.7222 3.7489 3.7865 3.7940 4.5731 4.5861 4.5927 4.6347 4.8663 4.9005 4.9266 4.9307 5.0062 5.0197 5.1088 5.1363 5.5723 5.5737 5.9855 5.9897 6.0200 6.0273 6.2215 6.2270 7.4209 7.4251 8.3796 8.3957 9.3973 9.3995 10.2429 10.2460 10.8302 10.8352 10.9159 10.9211 k = 0.3472 0.2554 0.7552 ( 6503 PWs) bands (ev): -7.6070 -7.6069 -6.8692 -6.8680 -6.8449 -6.8446 -6.7984 -6.7973 -2.5189 -2.4669 -2.4171 -2.4047 -2.1022 -1.9904 -1.7599 -1.7506 -1.7374 -1.7181 -1.5903 -1.5776 0.7003 0.7094 0.8932 0.9019 1.3863 1.3913 2.4858 2.4918 2.8777 2.9056 3.0077 3.0082 3.1384 3.1486 3.2569 3.2638 3.4921 3.5400 3.7298 3.7575 3.7943 3.8026 4.5684 4.5844 4.5918 4.6405 4.8563 4.8927 4.9160 4.9212 5.0043 5.0180 5.1295 5.1639 5.5452 5.5464 6.0035 6.0081 6.0264 6.0291 6.2190 6.2251 7.3879 7.3962 8.4344 8.4546 9.3373 9.3398 10.2919 10.2965 10.8042 10.8110 10.9457 10.9519 k = 0.3611 0.2656 0.7425 ( 6499 PWs) bands (ev): -7.6072 -7.6071 -6.8745 -6.8729 -6.8439 -6.8436 -6.7950 -6.7937 -2.5253 -2.4676 -2.4170 -2.4018 -2.1101 -1.9839 -1.7619 -1.7517 -1.7363 -1.7148 -1.5873 -1.5728 0.7120 0.7226 0.8793 0.8891 1.4354 1.4411 2.4388 2.4458 2.8602 2.8912 3.0082 3.0094 3.1361 3.1477 3.2552 3.2627 3.4859 3.5346 3.7412 3.7678 3.8023 3.8115 4.5636 4.5825 4.5909 4.6459 4.8465 4.8843 4.9062 4.9120 5.0014 5.0155 5.1512 5.1922 5.5199 5.5208 5.9897 5.9996 6.0502 6.0600 6.2163 6.2227 7.3586 7.3717 8.4912 8.5158 9.2826 9.2852 10.3328 10.3390 10.7764 10.7849 10.9833 10.9914 k = 0.3750 0.2758 0.7298 ( 6500 PWs) bands (ev): -7.6073 -7.6072 -6.8800 -6.8782 -6.8427 -6.8423 -6.7920 -6.7904 -2.5319 -2.4687 -2.4169 -2.3990 -2.1175 -1.9779 -1.7636 -1.7527 -1.7351 -1.7119 -1.5834 -1.5670 0.7245 0.7365 0.8686 0.8797 1.4853 1.4916 2.3909 2.3987 2.8383 2.8711 3.0144 3.0151 3.1336 3.1467 3.2533 3.2614 3.4755 3.5237 3.7548 3.7790 3.8104 3.8207 4.5587 4.5805 4.5898 4.6509 4.8370 4.8752 4.8978 4.9034 4.9976 5.0122 5.1737 5.2210 5.4964 5.4972 5.9726 5.9851 6.0723 6.0868 6.2131 6.2199 7.3351 7.3537 8.5488 8.5782 9.2335 9.2362 10.3659 10.3735 10.7467 10.7567 11.0262 11.0385 k = 0.3889 0.2860 0.7171 ( 6498 PWs) bands (ev): -7.6071 -7.6070 -6.8858 -6.8838 -6.8411 -6.8407 -6.7893 -6.7874 -2.5385 -2.4702 -2.4168 -2.3963 -2.1244 -1.9725 -1.7652 -1.7536 -1.7340 -1.7094 -1.5785 -1.5603 0.7373 0.7511 0.8612 0.8736 1.5356 1.5426 2.3422 2.3510 2.8151 2.8496 3.0224 3.0225 3.1310 3.1455 3.2512 3.2597 3.4617 3.5085 3.7692 3.7903 3.8185 3.8302 4.5538 4.5783 4.5887 4.6554 4.8278 4.8653 4.8908 4.8955 4.9930 5.0082 5.1967 5.2498 5.4749 5.4756 5.9533 5.9683 6.0877 6.1069 6.2096 6.2166 7.3193 7.3438 8.6062 8.6407 9.1905 9.1932 10.3918 10.4008 10.7145 10.7258 11.0631 11.0895 k = 0.4028 0.2962 0.7044 ( 6499 PWs) bands (ev): -7.6068 -7.6067 -6.8920 -6.8897 -6.8393 -6.8389 -6.7869 -6.7847 -2.5451 -2.4720 -2.4167 -2.3939 -2.1308 -1.9677 -1.7665 -1.7544 -1.7328 -1.7073 -1.5728 -1.5525 0.7504 0.7661 0.8570 0.8708 1.5862 1.5936 2.2931 2.3031 2.7928 2.8293 3.0299 3.0302 3.1283 3.1443 3.2489 3.2578 3.4451 3.4903 3.7832 3.8010 3.8266 3.8398 4.5488 4.5758 4.5876 4.6595 4.8187 4.8547 4.8851 4.8885 4.9880 5.0036 5.2200 5.2781 5.4553 5.4561 5.9322 5.9497 6.0952 6.1191 6.2055 6.2125 7.3127 7.3433 8.6624 8.7024 9.1542 9.1566 10.4113 10.4214 10.6789 10.6911 11.0679 11.0922 k = 0.4167 0.3064 0.6918 ( 6507 PWs) bands (ev): -7.6064 -7.6063 -6.8985 -6.8961 -6.8372 -6.8367 -6.7846 -6.7823 -2.5516 -2.4741 -2.4167 -2.3919 -2.1365 -1.9634 -1.7676 -1.7553 -1.7318 -1.7058 -1.5663 -1.5438 0.7637 0.7814 0.8561 0.8714 1.6366 1.6443 2.2441 2.2552 2.7723 2.8111 3.0365 3.0366 3.1254 3.1430 3.2465 3.2557 3.4266 3.4699 3.7963 3.8108 3.8345 3.8494 4.5439 4.5730 4.5862 4.6633 4.8099 4.8436 4.8804 4.8825 4.9826 4.9985 5.2431 5.3053 5.4376 5.4391 5.9093 5.9295 6.0945 6.1225 6.2010 6.2077 7.3158 7.3522 8.7164 8.7624 9.1249 9.1267 10.4249 10.4362 10.6390 10.6519 11.0589 11.0820 k = 0.4306 0.3167 0.6791 ( 6507 PWs) bands (ev): -7.6058 -7.6057 -6.9054 -6.9028 -6.8348 -6.8343 -6.7825 -6.7800 -2.5580 -2.4764 -2.4166 -2.3903 -2.1417 -1.9597 -1.7684 -1.7560 -1.7308 -1.7046 -1.5590 -1.5343 0.7770 0.7970 0.8582 0.8751 1.6862 1.6942 2.1956 2.2081 2.7540 2.7958 3.0408 3.0419 3.1224 3.1416 3.2440 3.2535 3.4069 3.4481 3.8081 3.8195 3.8421 3.8589 4.5392 4.5700 4.5848 4.6666 4.8012 4.8322 4.8765 4.8774 4.9773 4.9933 5.2655 5.3302 5.4219 5.4253 5.8850 5.9081 6.0860 6.1174 6.1960 6.2022 7.3284 7.3701 8.7673 8.8199 9.1029 9.1037 10.4331 10.4454 10.5946 10.6079 11.0501 11.0746 k = 0.4444 0.3269 0.6664 ( 6507 PWs) bands (ev): -7.6052 -7.6050 -6.9126 -6.9099 -6.8322 -6.8316 -6.7804 -6.7778 -2.5642 -2.4788 -2.4166 -2.3889 -2.1463 -1.9565 -1.7691 -1.7566 -1.7300 -1.7039 -1.5513 -1.5241 0.7904 0.8130 0.8634 0.8820 1.7344 1.7423 2.1484 2.1626 2.7383 2.7835 3.0424 3.0458 3.1193 3.1402 3.2413 3.2510 3.3868 3.4255 3.8185 3.8269 3.8493 3.8679 4.5347 4.5666 4.5833 4.6696 4.7927 4.8206 4.8734 4.8734 4.9720 4.9879 5.2867 5.3500 5.4080 5.4169 5.8595 5.8855 6.0707 6.1047 6.1907 6.1961 7.3493 7.3956 8.8143 8.8741 9.0876 9.0886 10.4357 10.4489 10.5465 10.5600 11.0455 11.0721 k = 0.4583 0.3371 0.6537 ( 6497 PWs) bands (ev): -7.6046 -7.6044 -6.9201 -6.9174 -6.8293 -6.8287 -6.7784 -6.7757 -2.5701 -2.4812 -2.4165 -2.3879 -2.1502 -1.9538 -1.7695 -1.7571 -1.7292 -1.7035 -1.5432 -1.5135 0.8041 0.8292 0.8714 0.8917 1.7799 1.7871 2.1037 2.1200 2.7248 2.7741 3.0408 3.0479 3.1162 3.1386 3.2385 3.2483 3.3673 3.4030 3.8277 3.8330 3.8561 3.8761 4.5307 4.5630 4.5816 4.6725 4.7845 4.8086 4.8705 4.8710 4.9671 4.9826 5.3057 5.3597 5.3963 5.4184 5.8331 5.8621 6.0502 6.0861 6.1852 6.1897 7.3768 7.4268 8.8568 8.9243 9.0784 9.0819 10.4313 10.4460 10.4972 10.5103 11.0464 11.0754 k = 0.4722 0.3473 0.6410 ( 6490 PWs) bands (ev): -7.6041 -7.6039 -6.9278 -6.9250 -6.8261 -6.8254 -6.7763 -6.7735 -2.5757 -2.4837 -2.4164 -2.3872 -2.1537 -1.9515 -1.7698 -1.7576 -1.7285 -1.7035 -1.5350 -1.5027 0.8181 0.8458 0.8825 0.9044 1.8199 1.8259 2.0642 2.0832 2.7131 2.7672 3.0356 3.0481 3.1130 3.1371 3.2356 3.2455 3.3493 3.3810 3.8356 3.8376 3.8624 3.8833 4.5272 4.5591 4.5799 4.6751 4.7764 4.7963 4.8685 4.8691 4.9626 4.9775 5.3213 5.3582 5.3870 5.4299 5.8061 5.8380 6.0265 6.0638 6.1795 6.1835 7.4087 7.4615 8.8945 8.9702 9.0754 9.0822 10.4148 10.4321 10.4535 10.4647 11.0531 11.0843 k = 0.4861 0.3575 0.6284 ( 6488 PWs) bands (ev): -7.6037 -7.6035 -6.9357 -6.9329 -6.8227 -6.8220 -6.7740 -6.7713 -2.5810 -2.4862 -2.4164 -2.3867 -2.1568 -1.9495 -1.7699 -1.7580 -1.7279 -1.7037 -1.5269 -1.4919 0.8324 0.8623 0.8969 0.9200 1.8484 1.8527 2.0359 2.0580 2.7028 2.7623 3.0264 3.0465 3.1098 3.1354 3.2326 3.2427 3.3335 3.3603 3.8407 3.8423 3.8682 3.8894 4.5243 4.5550 4.5780 4.6776 4.7686 4.7836 4.8673 4.8678 4.9587 4.9726 5.3317 5.3518 5.3810 5.4442 5.7786 5.8136 6.0018 6.0400 6.1740 6.1775 7.4428 7.4977 8.9274 9.0113 9.0780 9.0886 10.3785 10.3971 10.4248 10.4354 11.0651 11.0983 k = 0.5000 0.3677 0.6157 ( 6486 PWs) bands (ev): -7.6037 -7.6035 -6.9435 -6.9407 -6.8190 -6.8182 -6.7716 -6.7689 -2.5860 -2.4886 -2.4162 -2.3865 -2.1595 -1.9479 -1.7699 -1.7583 -1.7275 -1.7042 -1.5193 -1.4814 0.8469 0.8780 0.9156 0.9388 1.8553 1.8591 2.0288 2.0527 2.6927 2.7585 3.0135 3.0431 3.1068 3.1337 3.2295 3.2398 3.3206 3.3415 3.8423 3.8477 3.8737 3.8943 4.5221 4.5506 4.5761 4.6800 4.7612 4.7704 4.8668 4.8671 4.9554 4.9681 5.3353 5.3440 5.3788 5.4565 5.7510 5.7890 5.9786 6.0171 6.1686 6.1721 7.4774 7.5334 8.9554 9.0449 9.0874 9.1001 10.3360 10.3545 10.3996 10.4106 11.0809 11.1156 k = 0.5000 0.3677 0.6157 ( 6486 PWs) bands (ev): -7.6037 -7.6035 -6.9435 -6.9407 -6.8190 -6.8182 -6.7716 -6.7689 -2.5860 -2.4886 -2.4162 -2.3865 -2.1595 -1.9479 -1.7699 -1.7583 -1.7275 -1.7042 -1.5193 -1.4814 0.8469 0.8780 0.9156 0.9388 1.8553 1.8591 2.0288 2.0527 2.6927 2.7585 3.0135 3.0431 3.1068 3.1337 3.2295 3.2398 3.3206 3.3415 3.8423 3.8477 3.8737 3.8943 4.5221 4.5506 4.5761 4.6800 4.7612 4.7704 4.8668 4.8671 4.9554 4.9681 5.3353 5.3440 5.3788 5.4565 5.7510 5.7890 5.9786 6.0171 6.1686 6.1721 7.4774 7.5334 8.9554 9.0449 9.0874 9.1001 10.3360 10.3545 10.3996 10.4106 11.0809 11.1156 k = 0.5000 0.3677 0.5945 ( 6492 PWs) bands (ev): -7.6042 -7.6040 -6.9566 -6.9538 -6.8123 -6.8115 -6.7674 -6.7648 -2.5935 -2.4926 -2.4161 -2.3866 -2.1633 -1.9459 -1.7697 -1.7588 -1.7270 -1.7053 -1.5072 -1.4644 0.8722 0.9043 0.9521 0.9743 1.8439 1.8492 2.0392 2.0637 2.6736 2.7503 2.9875 3.0358 3.1017 3.1306 3.2242 3.2354 3.3050 3.3142 3.8431 3.8557 3.8830 3.9015 4.5199 4.5427 4.5727 4.6840 4.7477 4.7494 4.8660 4.8666 4.9509 4.9613 5.3296 5.3308 5.3820 5.4737 5.7045 5.7475 5.9428 5.9808 6.1600 6.1635 7.5351 7.5924 8.9949 9.0851 9.1134 9.1220 10.2685 10.2870 10.3501 10.3610 11.1095 11.1459 k = 0.5000 0.3677 0.5732 ( 6490 PWs) bands (ev): -7.6048 -7.6046 -6.9699 -6.9672 -6.8053 -6.8044 -6.7632 -6.7606 -2.6001 -2.4962 -2.4161 -2.3871 -2.1662 -1.9445 -1.7694 -1.7592 -1.7267 -1.7068 -1.4958 -1.4481 0.8993 0.9325 0.9913 1.0122 1.8313 1.8381 2.0504 2.0753 2.6502 2.7369 2.9607 3.0282 3.0969 3.1273 3.2190 3.2317 3.2918 3.2951 3.8432 3.8636 3.8931 3.9086 4.5191 4.5338 4.5692 4.6882 4.7246 4.7386 4.8647 4.8664 4.9473 4.9553 5.3136 5.3194 5.3906 5.4906 5.6572 5.7054 5.9081 5.9453 6.1512 6.1548 7.5937 7.6518 9.0280 9.1116 9.1405 9.1417 10.2062 10.2245 10.2925 10.3028 11.1341 11.1717 k = 0.5000 0.3677 0.5520 ( 6486 PWs) bands (ev): -7.6058 -7.6055 -6.9834 -6.9807 -6.7978 -6.7969 -6.7588 -6.7563 -2.6055 -2.4994 -2.4160 -2.3879 -2.1685 -1.9436 -1.7691 -1.7595 -1.7267 -1.7086 -1.4856 -1.4328 0.9281 0.9623 1.0330 1.0523 1.8177 1.8258 2.0622 2.0874 2.6226 2.7168 2.9363 3.0206 3.0923 3.1240 3.2141 3.2289 3.2744 3.2897 3.8428 3.8712 3.9039 3.9160 4.5194 4.5239 4.5655 4.6924 4.7014 4.7290 4.8632 4.8661 4.9442 4.9500 5.2967 5.3051 5.4007 5.5064 5.6098 5.6633 5.8748 5.9111 6.1423 6.1460 7.6525 7.7111 9.0533 9.1270 9.1547 9.1672 10.1517 10.1692 10.2270 10.2366 11.1467 11.1861 k = 0.5000 0.3677 0.5308 ( 6486 PWs) bands (ev): -7.6069 -7.6067 -6.9971 -6.9944 -6.7900 -6.7891 -6.7543 -6.7518 -2.6098 -2.5021 -2.4161 -2.3889 -2.1701 -1.9431 -1.7686 -1.7598 -1.7269 -1.7107 -1.4768 -1.4189 0.9584 0.9937 1.0770 1.0944 1.8030 1.8123 2.0746 2.1000 2.5911 2.6893 2.9167 3.0134 3.0882 3.1206 3.2095 3.2269 3.2616 3.2877 3.8424 3.8784 3.9155 3.9241 4.5131 4.5205 4.5622 4.6786 4.6960 4.7212 4.8613 4.8657 4.9411 4.9452 5.2794 5.2896 5.4108 5.5209 5.5629 5.6216 5.8434 5.8784 6.1331 6.1370 7.7109 7.7696 9.0700 9.1344 9.1639 9.1846 10.1065 10.1224 10.1555 10.1641 11.1424 11.1848 k = 0.5000 0.3677 0.5095 ( 6494 PWs) bands (ev): -7.6084 -7.6082 -7.0107 -7.0081 -6.7819 -6.7809 -6.7495 -6.7472 -2.6130 -2.5042 -2.4163 -2.3902 -2.1714 -1.9428 -1.7682 -1.7600 -1.7274 -1.7131 -1.4700 -1.4067 0.9901 1.0262 1.1230 1.1381 1.7873 1.7976 2.0874 2.1128 2.5566 2.6552 2.9028 3.0071 3.0846 3.1172 3.2053 3.2256 3.2527 3.2881 3.8424 3.8852 3.9276 3.9332 4.5014 4.5215 4.5597 4.6562 4.6973 4.7169 4.8591 4.8648 4.9378 4.9410 5.2622 5.2738 5.4198 5.5170 5.5337 5.5806 5.8142 5.8474 6.1238 6.1279 7.7682 7.8267 9.0778 9.1348 9.1671 9.1919 10.0642 10.0764 10.0871 10.0953 11.1218 11.1675 k = 0.5000 0.3677 0.4883 ( 6492 PWs) bands (ev): -7.6102 -7.6100 -7.0244 -7.0219 -6.7735 -6.7725 -6.7445 -6.7423 -2.6150 -2.5056 -2.4165 -2.3915 -2.1723 -1.9427 -1.7676 -1.7603 -1.7279 -1.7155 -1.4652 -1.3964 1.0227 1.0598 1.1708 1.1831 1.7707 1.7818 2.1005 2.1259 2.5199 2.6164 2.8939 3.0018 3.0815 3.1140 3.2016 3.2248 3.2470 3.2904 3.8432 3.8918 3.9403 3.9435 4.4890 4.5209 4.5594 4.6349 4.6945 4.7179 4.8566 4.8633 4.9339 4.9373 5.2459 5.2584 5.4262 5.4736 5.5405 5.5443 5.7880 5.8186 6.1143 6.1185 7.8237 7.8815 9.0775 9.1283 9.1633 9.1890 9.9904 9.9987 10.0577 10.0649 11.0883 11.1368 k = 0.5000 0.3677 0.4671 ( 6490 PWs) bands (ev): -7.6123 -7.6120 -7.0380 -7.0355 -6.7650 -6.7639 -6.7392 -6.7371 -2.6158 -2.5062 -2.4167 -2.3929 -2.1729 -1.9427 -1.7671 -1.7604 -1.7286 -1.7181 -1.4627 -1.3883 1.0562 1.0940 1.2199 1.2291 1.7534 1.7650 2.1138 2.1390 2.4823 2.5753 2.8888 2.9977 3.0791 3.1110 3.1983 3.2244 3.2439 3.2939 3.8451 3.8985 3.9535 3.9548 4.4758 4.5176 4.5616 4.6153 4.6894 4.7222 4.8539 4.8607 4.9288 4.9341 5.2309 5.2438 5.4165 5.4463 5.5017 5.5516 5.7654 5.7924 6.1045 6.1089 7.8769 7.9335 9.0702 9.1152 9.1523 9.1769 9.9065 9.9135 10.0463 10.0492 11.0452 11.0955 k = 0.5000 0.3677 0.4458 ( 6482 PWs) bands (ev): -7.6146 -7.6144 -7.0514 -7.0490 -6.7562 -6.7552 -6.7337 -6.7317 -2.6154 -2.5059 -2.4170 -2.3943 -2.1733 -1.9427 -1.7666 -1.7605 -1.7294 -1.7208 -1.4626 -1.3825 1.0903 1.1288 1.2699 1.2757 1.7354 1.7473 2.1273 2.1521 2.4446 2.5338 2.8866 2.9948 3.0774 3.1083 3.1955 3.2244 3.2427 3.2981 3.8485 3.9058 3.9670 3.9673 4.4621 4.5112 4.5647 4.5997 4.6839 4.7278 4.8510 4.8568 4.9222 4.9316 5.2178 5.2307 5.3793 5.4461 5.4643 5.5550 5.7475 5.7690 6.0945 6.0991 7.9269 7.9817 9.0575 9.0962 9.1347 9.1577 9.8204 9.8264 10.0416 10.0436 10.9949 11.0458 k = 0.5000 0.3677 0.4246 ( 6494 PWs) bands (ev): -7.6173 -7.6171 -7.0647 -7.0623 -6.7473 -6.7463 -6.7279 -6.7261 -2.6138 -2.5048 -2.4174 -2.3958 -2.1734 -1.9428 -1.7661 -1.7606 -1.7303 -1.7237 -1.4651 -1.3793 1.1245 1.1636 1.3204 1.3222 1.7170 1.7289 2.1407 2.1650 2.4081 2.4934 2.8865 2.9931 3.0764 3.1059 3.1932 3.2247 3.2428 3.3026 3.8536 3.9139 3.9801 3.9814 4.4477 4.5018 4.5620 4.5940 4.6785 4.7336 4.8479 4.8512 4.9137 4.9298 5.2072 5.2194 5.3392 5.4282 5.4484 5.5534 5.7353 5.7491 6.0842 6.0889 7.9729 8.0255 9.0407 9.0719 9.1122 9.1341 9.7337 9.7387 10.0387 10.0452 10.9398 10.9902 k = 0.5000 0.3677 0.4034 ( 6498 PWs) bands (ev): -7.6202 -7.6201 -7.0777 -7.0754 -6.7384 -6.7374 -6.7218 -6.7201 -2.6111 -2.5028 -2.4178 -2.3972 -2.1733 -1.9428 -1.7656 -1.7607 -1.7313 -1.7266 -1.4701 -1.3786 1.1587 1.1982 1.3683 1.3707 1.6983 1.7098 2.1540 2.1775 2.3736 2.4552 2.8884 2.9927 3.0761 3.1038 3.1914 3.2254 3.2438 3.3071 3.8607 3.9233 3.9938 3.9961 4.4330 4.4898 4.5517 4.6001 4.6736 4.7394 4.8437 4.8447 4.9032 4.9287 5.1991 5.2102 5.3002 5.3938 5.4487 5.5465 5.7293 5.7331 6.0737 6.0785 8.0144 8.0640 9.0206 9.0437 9.0868 9.1084 9.6473 9.6514 10.0360 10.0466 10.8826 10.9315 k = 0.5000 0.3677 0.3821 ( 6508 PWs) bands (ev): -7.6234 -7.6233 -7.0903 -7.0881 -6.7295 -6.7286 -6.7155 -6.7140 -2.6072 -2.4999 -2.4182 -2.3985 -2.1730 -1.9427 -1.7652 -1.7607 -1.7323 -1.7296 -1.4777 -1.3804 1.1924 1.2323 1.4130 1.4202 1.6797 1.6902 2.1670 2.1894 2.3420 2.4201 2.8919 2.9937 3.0764 3.1022 3.1901 3.2265 3.2454 3.3111 3.8700 3.9341 4.0081 4.0112 4.4179 4.4753 4.5403 4.6112 4.6692 4.7449 4.8340 4.8412 4.8910 4.9284 5.1934 5.2029 5.2635 5.3613 5.4465 5.5346 5.7213 5.7289 6.0629 6.0678 8.0506 8.0965 8.9981 9.0129 9.0610 9.0822 9.5619 9.5652 10.0286 10.0425 10.8270 10.8731 k = 0.5000 0.3677 0.3609 ( 6506 PWs) bands (ev): -7.6268 -7.6267 -7.1026 -7.1005 -6.7206 -6.7198 -6.7090 -6.7077 -2.6022 -2.4962 -2.4186 -2.3998 -2.1724 -1.9425 -1.7648 -1.7608 -1.7333 -1.7326 -1.4876 -1.3848 1.2252 1.2655 1.4557 1.4682 1.6618 1.6705 2.1798 2.2006 2.3141 2.3888 2.8970 2.9959 3.0775 3.1010 3.1896 3.2280 3.2472 3.3146 3.8815 3.9465 4.0229 4.0267 4.4025 4.4588 4.5302 4.6244 4.6655 4.7497 4.8224 4.8370 4.8778 4.9289 5.1895 5.1948 5.2319 5.3314 5.4412 5.5189 5.7141 5.7331 6.0519 6.0567 8.0808 8.1227 8.9732 8.9813 9.0373 9.0569 9.4784 9.4809 10.0117 10.0276 10.7773 10.8196 k = 0.5000 0.3677 0.3397 ( 6502 PWs) bands (ev): -7.6304 -7.6302 -7.1145 -7.1124 -6.7119 -6.7111 -6.7023 -6.7012 -2.5961 -2.4917 -2.4190 -2.4010 -2.1715 -1.9422 -1.7645 -1.7608 -1.7356 -1.7342 -1.4999 -1.3917 1.2569 1.2973 1.4949 1.5138 1.6455 1.6510 2.1921 2.2107 2.2909 2.3617 2.9037 2.9996 3.0791 3.1004 3.1895 3.2297 3.2490 3.3174 3.8952 3.9606 4.0381 4.0427 4.3869 4.4409 4.5217 4.6387 4.6623 4.7539 4.8088 4.8312 4.8651 4.9303 5.1759 5.1857 5.2156 5.3051 5.4331 5.5007 5.7113 5.7405 6.0407 6.0453 8.1048 8.1421 8.9462 8.9500 9.0175 9.0335 9.3973 9.3989 9.9807 9.9975 10.7376 10.7750 k = 0.5000 0.3677 0.3185 ( 6508 PWs) bands (ev): -7.6341 -7.6340 -7.1259 -7.1239 -6.7033 -6.7027 -6.6955 -6.6946 -2.5890 -2.4865 -2.4195 -2.4021 -2.1702 -1.9418 -1.7644 -1.7608 -1.7386 -1.7350 -1.5142 -1.4009 1.2871 1.3275 1.5277 1.5554 1.6328 1.6335 2.2038 2.2191 2.2734 2.3392 2.9120 3.0047 3.0813 3.1002 3.1901 3.2317 3.2507 3.3194 3.9109 3.9765 4.0535 4.0591 4.3713 4.4222 4.5147 4.6535 4.6598 4.7572 4.7936 4.8219 4.8554 4.9324 5.1461 5.1795 5.2141 5.2845 5.4224 5.4809 5.7126 5.7502 6.0291 6.0336 8.1223 8.1549 8.9176 8.9196 9.0025 9.0128 9.3191 9.3199 9.9333 9.9499 10.7105 10.7421 k = 0.5000 0.3677 0.2972 ( 6500 PWs) bands (ev): -7.6379 -7.6377 -7.1367 -7.1348 -6.6950 -6.6945 -6.6886 -6.6880 -2.5810 -2.4806 -2.4199 -2.4031 -2.1685 -1.9412 -1.7646 -1.7610 -1.7414 -1.7357 -1.5302 -1.4122 1.3154 1.3555 1.5477 1.5853 1.6234 1.6320 2.2149 2.2245 2.2630 2.3213 2.9220 3.0113 3.0840 3.1006 3.1912 3.2338 3.2523 3.3206 3.9286 3.9939 4.0692 4.0758 4.3557 4.4032 4.5090 4.6580 4.6682 4.7597 4.7771 4.8086 4.8501 4.9350 5.1144 5.1681 5.2185 5.2724 5.4098 5.4601 5.7174 5.7614 6.0174 6.0216 8.1336 8.1615 8.8885 8.8905 8.9921 8.9957 9.2443 9.2443 9.8699 9.8856 10.6958 10.7215 k = 0.5000 0.3677 0.2760 ( 6504 PWs) bands (ev): -7.6417 -7.6416 -7.1470 -7.1452 -6.6869 -6.6866 -6.6818 -6.6814 -2.5721 -2.4744 -2.4204 -2.4040 -2.1662 -1.9406 -1.7652 -1.7613 -1.7442 -1.7362 -1.5478 -1.4256 1.3414 1.3811 1.5495 1.5817 1.6444 1.6465 2.2252 2.2261 2.2606 2.3078 2.9336 3.0195 3.0872 3.1015 3.1928 3.2361 3.2536 3.3211 3.9479 4.0128 4.0849 4.0930 4.3404 4.3842 4.5048 4.6568 4.6820 4.7593 4.7619 4.7933 4.8481 4.9380 5.0831 5.1502 5.2258 5.2690 5.3956 5.4389 5.7253 5.7736 6.0056 6.0093 8.1393 8.1628 8.8598 8.8626 8.9823 8.9855 9.1725 9.1733 9.7932 9.8077 10.6912 10.7111 k = 0.5000 0.3677 0.2548 ( 6500 PWs) bands (ev): -7.6455 -7.6454 -7.1567 -7.1550 -6.6792 -6.6790 -6.6750 -6.6749 -2.5624 -2.4679 -2.4208 -2.4047 -2.1632 -1.9401 -1.7662 -1.7619 -1.7466 -1.7363 -1.5663 -1.4407 1.3650 1.4038 1.5400 1.5653 1.6700 1.6749 2.2261 2.2346 2.2636 2.2987 2.9467 3.0291 3.0906 3.1029 3.1949 3.2385 3.2547 3.3209 3.9684 4.0329 4.1007 4.1106 4.3253 4.3654 4.5019 4.6562 4.6935 4.7420 4.7626 4.7788 4.8483 4.9412 5.0528 5.1276 5.2351 5.2724 5.3806 5.4174 5.7355 5.7865 5.9936 5.9968 8.1401 8.1597 8.8322 8.8362 8.9725 8.9817 9.1050 9.1067 9.7072 9.7206 10.6936 10.7083 k = 0.5000 0.3677 0.2335 ( 6512 PWs) bands (ev): -7.6492 -7.6491 -7.1657 -7.1642 -6.6719 -6.6718 -6.6685 -6.6684 -2.5521 -2.4614 -2.4213 -2.4055 -2.1594 -1.9396 -1.7680 -1.7630 -1.7486 -1.7362 -1.5854 -1.4573 1.3859 1.4235 1.5266 1.5478 1.6955 1.7037 2.2276 2.2430 2.2687 2.2933 2.9612 3.0401 3.0942 3.1047 3.1975 3.2408 3.2557 3.3201 3.9897 4.0536 4.1166 4.1287 4.3107 4.3471 4.5006 4.6560 4.7000 4.7244 4.7631 4.7681 4.8503 4.9441 5.0238 5.1025 5.2457 5.2800 5.3654 5.3959 5.7475 5.7996 5.9816 5.9842 8.1371 8.1533 8.8062 8.8112 8.9649 8.9790 9.0429 9.0456 9.6161 9.6283 10.6997 10.7098 k = 0.5000 0.3677 0.2123 ( 6508 PWs) bands (ev): -7.6528 -7.6527 -7.1741 -7.1726 -6.6653 -6.6649 -6.6625 -6.6620 -2.5412 -2.4550 -2.4217 -2.4061 -2.1545 -1.9394 -1.7704 -1.7647 -1.7498 -1.7358 -1.6043 -1.4751 1.4041 1.4400 1.5123 1.5308 1.7201 1.7297 2.2313 2.2504 2.2742 2.2912 2.9769 3.0522 3.0979 3.1070 3.2004 3.2430 3.2565 3.3187 4.0114 4.0746 4.1326 4.1472 4.2967 4.3296 4.5011 4.6558 4.6983 4.7075 4.7634 4.7651 4.8538 4.9462 4.9967 5.0763 5.2566 5.2899 5.3507 5.3746 5.7608 5.8127 5.9698 5.9715 8.1314 8.1448 8.7824 8.7881 8.9539 8.9683 8.9946 8.9953 9.5236 9.5345 10.6842 10.6941 k = 0.5000 0.3677 0.1911 ( 6502 PWs) bands (ev): -7.6562 -7.6562 -7.1817 -7.1804 -6.6590 -6.6585 -6.6567 -6.6561 -2.5299 -2.4491 -2.4221 -2.4066 -2.1484 -1.9397 -1.7737 -1.7670 -1.7505 -1.7350 -1.6223 -1.4937 1.4197 1.4532 1.4983 1.5147 1.7432 1.7528 2.2371 2.2568 2.2795 2.2914 2.9934 3.0652 3.1015 3.1097 3.2038 3.2451 3.2573 3.3168 4.0329 4.0950 4.1489 4.1662 4.2836 4.3129 4.5034 4.6546 4.6886 4.6921 4.7637 4.7693 4.8589 4.9461 4.9729 5.0496 5.2664 5.3009 5.3379 5.3539 5.7749 5.8255 5.9583 5.9590 8.1240 8.1351 8.7609 8.7669 8.9205 8.9242 8.9740 8.9849 9.4326 9.4420 10.6385 10.6469 k = 0.5000 0.3677 0.1698 ( 6518 PWs) bands (ev): -7.6594 -7.6594 -7.1886 -7.1874 -6.6533 -6.6526 -6.6513 -6.6505 -2.5183 -2.4438 -2.4226 -2.4072 -2.1410 -1.9409 -1.7779 -1.7699 -1.7507 -1.7343 -1.6386 -1.5129 1.4327 1.4632 1.4851 1.4999 1.7644 1.7734 2.2442 2.2622 2.2842 2.2932 3.0104 3.0785 3.1050 3.1127 3.2075 3.2469 3.2580 3.3143 4.0538 4.1137 4.1660 4.1854 4.2713 4.2971 4.5076 4.6505 4.6749 4.6798 4.7645 4.7770 4.8653 4.9370 4.9592 5.0230 5.2725 5.3112 5.3294 5.3350 5.7891 5.8376 5.9469 5.9473 8.1157 8.1250 8.7420 8.7479 8.8761 8.8768 8.9702 8.9832 9.3459 9.3533 10.5963 10.6036 k = 0.5000 0.3677 0.1486 ( 6526 PWs) bands (ev): -7.6624 -7.6623 -7.1947 -7.1937 -6.6481 -6.6474 -6.6464 -6.6455 -2.5066 -2.4394 -2.4230 -2.4080 -2.1319 -1.9435 -1.7828 -1.7731 -1.7505 -1.7336 -1.6522 -1.5322 1.4435 1.4697 1.4732 1.4873 1.7836 1.7917 2.2518 2.2670 2.2885 2.2958 3.0272 3.0917 3.1081 3.1159 3.2116 3.2485 3.2587 3.3112 4.0735 4.1299 4.1841 4.2045 4.2603 4.2825 4.5138 4.6419 4.6599 4.6722 4.7662 4.7857 4.8730 4.9186 4.9563 4.9967 5.2716 5.3085 5.3284 5.3297 5.8032 5.8486 5.9356 5.9370 8.1074 8.1151 8.7257 8.7312 8.8339 8.8343 8.9697 8.9813 9.2658 9.2704 10.5586 10.5649 k = 0.5000 0.3677 0.1274 ( 6524 PWs) bands (ev): -7.6650 -7.6650 -7.2001 -7.1992 -6.6435 -6.6427 -6.6419 -6.6410 -2.4949 -2.4357 -2.4234 -2.4090 -2.1212 -1.9479 -1.7881 -1.7766 -1.7499 -1.7332 -1.6623 -1.5514 1.4519 1.4630 1.4687 1.4813 1.8008 1.8078 2.2593 2.2711 2.2922 2.2986 3.0435 3.1037 3.1113 3.1194 3.2162 3.2498 3.2596 3.3075 4.0919 4.1429 4.2030 4.2230 4.2506 4.2693 4.5220 4.6304 4.6451 4.6671 4.7694 4.7943 4.8815 4.9001 4.9552 4.9711 5.2643 5.2918 5.3343 5.3392 5.8163 5.8578 5.9254 5.9279 8.0996 8.1059 8.7121 8.7168 8.7964 8.7974 8.9699 8.9778 9.1943 9.1951 10.5256 10.5309 k = 0.5000 0.3677 0.1062 ( 6532 PWs) bands (ev): -7.6673 -7.6673 -7.2046 -7.2039 -6.6395 -6.6388 -6.6380 -6.6372 -2.4833 -2.4328 -2.4238 -2.4107 -2.1087 -1.9548 -1.7932 -1.7803 -1.7491 -1.7335 -1.6684 -1.5702 1.4521 1.4601 1.4608 1.4824 1.8158 1.8216 2.2662 2.2747 2.2953 2.3012 3.0588 3.1107 3.1174 3.1229 3.2213 3.2508 3.2607 3.3033 4.1085 4.1529 4.2220 4.2375 4.2454 4.2574 4.5322 4.6186 4.6310 4.6616 4.7746 4.8025 4.8839 4.8906 4.9461 4.9536 5.2543 5.2748 5.3432 5.3494 5.8281 5.8646 5.9172 5.9203 8.0926 8.0978 8.7009 8.7046 8.7648 8.7662 8.9698 8.9720 9.1292 9.1335 10.4975 10.5019 k = 0.5000 0.3677 0.0849 ( 6548 PWs) bands (ev): -7.6693 -7.6692 -7.2084 -7.2078 -6.6361 -6.6355 -6.6347 -6.6340 -2.4722 -2.4306 -2.4242 -2.4133 -2.0946 -1.9645 -1.7973 -1.7842 -1.7481 -1.7346 -1.6705 -1.5881 1.4452 1.4515 1.4661 1.4837 1.8285 1.8330 2.2720 2.2777 2.2980 2.3032 3.0725 3.1126 3.1259 3.1266 3.2269 3.2513 3.2621 3.2984 4.1232 4.1598 4.2339 4.2397 4.2475 4.2578 4.5441 4.6077 4.6182 4.6540 4.7822 4.8101 4.8702 4.8995 4.9220 4.9513 5.2443 5.2595 5.3525 5.3584 5.8379 5.8681 5.9118 5.9146 8.0867 8.0908 8.6918 8.6944 8.7395 8.7412 8.9630 8.9683 9.0748 9.0856 10.4744 10.4779 k = 0.5000 0.3677 0.0637 ( 6552 PWs) bands (ev): -7.6708 -7.6708 -7.2113 -7.2108 -6.6335 -6.6330 -6.6321 -6.6315 -2.4615 -2.4290 -2.4246 -2.4168 -2.0789 -1.9770 -1.7998 -1.7880 -1.7469 -1.7362 -1.6687 -1.6049 1.4396 1.4443 1.4708 1.4840 1.8387 1.8421 2.2766 2.2801 2.3004 2.3046 3.0843 3.1130 3.1302 3.1326 3.2328 3.2513 3.2640 3.2930 4.1360 4.1641 4.2288 4.2381 4.2567 4.2706 4.5576 4.5987 4.6071 4.6440 4.7924 4.8173 4.8592 4.8978 4.9096 4.9480 5.2357 5.2464 5.3609 5.3658 5.8456 5.8681 5.9094 5.9111 8.0821 8.0852 8.6842 8.6856 8.7210 8.7227 8.9509 8.9630 9.0353 9.0515 10.4564 10.4590 k = 0.5000 0.3677 0.0425 ( 6546 PWs) bands (ev): -7.6719 -7.6719 -7.2133 -7.2130 -6.6315 -6.6312 -6.6301 -6.6297 -2.4516 -2.4278 -2.4250 -2.4214 -2.0621 -1.9919 -1.8006 -1.7917 -1.7454 -1.7381 -1.6637 -1.6204 1.4357 1.4389 1.4746 1.4835 1.8462 1.8485 2.2799 2.2818 2.3023 2.3054 3.0939 3.1123 3.1336 3.1368 3.2385 3.2508 3.2667 3.2871 4.1466 4.1657 4.2253 4.2315 4.2699 4.2798 4.5721 4.5923 4.5983 4.6318 4.8051 4.8240 4.8504 4.8764 4.9176 4.9437 5.2295 5.2363 5.3677 5.3711 5.8512 5.8657 5.9090 5.9094 8.0790 8.0811 8.6778 8.6784 8.7093 8.7107 8.9383 8.9512 9.0143 9.0300 10.4436 10.4454 k = 0.5000 0.3677 0.0212 ( 6538 PWs) bands (ev): -7.6725 -7.6725 -7.2145 -7.2144 -6.6303 -6.6302 -6.6289 -6.6287 -2.4424 -2.4275 -2.4265 -2.4254 -2.0444 -2.0086 -1.7999 -1.7951 -1.7438 -1.7401 -1.6561 -1.6342 1.4337 1.4353 1.4778 1.4822 1.8511 1.8522 2.2819 2.2827 2.3039 2.3055 3.1014 3.1103 3.1365 3.1386 3.2435 3.2495 3.2705 3.2811 4.1551 4.1648 4.2237 4.2267 4.2794 4.2846 4.5872 4.5889 4.5923 4.6179 4.8201 4.8304 4.8431 4.8560 4.9254 4.9385 5.2260 5.2293 5.3723 5.3741 5.8554 5.8624 5.9091 5.9092 8.0773 8.0783 8.6731 8.6733 8.7034 8.7042 8.9298 8.9374 9.0083 9.0172 10.4361 10.4370 k = 0.5000 0.3677 0.0000 ( 6534 PWs) bands (ev): -7.6728 -7.6728 -7.2149 -7.2149 -6.6299 -6.6299 -6.6284 -6.6284 -2.4343 -2.4343 -2.4260 -2.4260 -2.0263 -2.0263 -1.7979 -1.7979 -1.7420 -1.7420 -1.6462 -1.6462 1.4336 1.4336 1.4803 1.4803 1.8530 1.8530 2.2828 2.2828 2.3049 2.3049 3.1067 3.1067 3.1383 3.1383 3.2471 3.2471 3.2754 3.2754 4.1612 4.1612 4.2242 4.2242 4.2844 4.2844 4.5888 4.5888 4.6029 4.6029 4.8365 4.8365 4.8373 4.8373 4.9324 4.9324 5.2259 5.2259 5.3745 5.3745 5.8589 5.8589 5.9093 5.9093 8.0770 8.0770 8.6714 8.6714 8.7020 8.7020 8.9292 8.9292 9.0102 9.0102 10.4339 10.4339 k = 0.0000 0.0000 0.8439 ( 6476 PWs) bands (ev): -7.6044 -7.6044 -6.8554 -6.8554 -6.8337 -6.8337 -6.8225 -6.8225 -2.4791 -2.4791 -2.4169 -2.4169 -2.0466 -2.0466 -1.7496 -1.7496 -1.7362 -1.7362 -1.6011 -1.6011 0.7160 0.7160 0.7425 0.7425 1.9038 1.9038 1.9859 1.9859 2.7532 2.7532 3.0855 3.0855 3.1464 3.1464 3.2671 3.2671 3.6785 3.6785 3.7358 3.7358 3.8194 3.8194 4.5820 4.5820 4.6200 4.6200 4.8601 4.8601 4.8790 4.8790 5.0985 5.0985 5.2070 5.2070 5.4487 5.4487 6.0417 6.0417 6.2411 6.2411 6.2884 6.2884 7.1071 7.1071 8.5872 8.5872 8.9074 8.9074 10.4980 10.4980 10.9302 10.9302 11.0630 11.0630 k = 0.0167 0.0123 0.8439 ( 6486 PWs) bands (ev): -7.6044 -7.6044 -6.8553 -6.8553 -6.8338 -6.8338 -6.8225 -6.8225 -2.4792 -2.4792 -2.4169 -2.4169 -2.0466 -2.0466 -1.7496 -1.7496 -1.7363 -1.7363 -1.6010 -1.6010 0.7165 0.7165 0.7429 0.7429 1.8689 1.8689 2.0207 2.0207 2.7558 2.7558 3.0844 3.0844 3.1464 3.1464 3.2671 3.2671 3.6786 3.6786 3.7341 3.7341 3.8190 3.8190 4.5821 4.5821 4.6198 4.6198 4.8606 4.8606 4.8794 4.8794 5.0980 5.0980 5.2050 5.2050 5.4501 5.4501 6.0418 6.0418 6.2410 6.2410 6.2846 6.2846 7.1111 7.1111 8.5841 8.5841 8.9130 8.9130 10.4970 10.4970 10.9306 10.9306 11.0603 11.0603 k = 0.0333 0.0245 0.8439 ( 6492 PWs) bands (ev): -7.6044 -7.6044 -6.8552 -6.8552 -6.8340 -6.8340 -6.8225 -6.8225 -2.4792 -2.4792 -2.4170 -2.4170 -2.0465 -2.0465 -1.7495 -1.7495 -1.7364 -1.7364 -1.6008 -1.6008 0.7174 0.7174 0.7445 0.7445 1.8107 1.8107 2.0786 2.0786 2.7635 2.7635 3.0811 3.0811 3.1464 3.1464 3.2670 3.2670 3.6789 3.6789 3.7291 3.7291 3.8178 3.8178 4.5822 4.5822 4.6193 4.6193 4.8622 4.8622 4.8811 4.8811 5.0966 5.0966 5.1990 5.1990 5.4543 5.4543 6.0420 6.0420 6.2405 6.2405 6.2734 6.2734 7.1229 7.1229 8.5745 8.5745 8.9296 8.9296 10.4936 10.4936 10.9317 10.9317 11.0513 11.0513 k = 0.0500 0.0368 0.8439 ( 6488 PWs) bands (ev): -7.6044 -7.6044 -6.8549 -6.8549 -6.8343 -6.8343 -6.8226 -6.8226 -2.4793 -2.4793 -2.4170 -2.4170 -2.0463 -2.0463 -1.7493 -1.7493 -1.7366 -1.7366 -1.6003 -1.6003 0.7170 0.7170 0.7493 0.7493 1.7493 1.7493 2.1394 2.1394 2.7761 2.7761 3.0758 3.0758 3.1465 3.1465 3.2670 3.2670 3.6791 3.6791 3.7212 3.7212 3.8157 3.8157 4.5825 4.5825 4.6187 4.6187 4.8648 4.8648 4.8839 4.8839 5.0943 5.0943 5.1895 5.1895 5.4612 5.4612 6.0424 6.0424 6.2396 6.2396 6.2555 6.2555 7.1421 7.1421 8.5588 8.5588 8.9570 8.9570 10.4873 10.4873 10.9337 10.9337 11.0347 11.0347 k = 0.0667 0.0490 0.8439 ( 6502 PWs) bands (ev): -7.6043 -7.6043 -6.8545 -6.8545 -6.8347 -6.8346 -6.8226 -6.8226 -2.4794 -2.4794 -2.4170 -2.4170 -2.0461 -2.0461 -1.7491 -1.7491 -1.7369 -1.7369 -1.5998 -1.5998 0.7142 0.7142 0.7584 0.7584 1.6874 1.6874 2.2005 2.2005 2.7933 2.7933 3.0683 3.0683 3.1466 3.1466 3.2669 3.2669 3.6779 3.6779 3.7116 3.7116 3.8128 3.8128 4.5828 4.5828 4.6177 4.6177 4.8680 4.8680 4.8880 4.8880 5.0911 5.0911 5.1768 5.1768 5.4710 5.4710 6.0429 6.0429 6.2290 6.2290 6.2407 6.2407 7.1681 7.1681 8.5373 8.5373 8.9945 8.9945 10.4772 10.4772 10.9366 10.9366 11.0115 11.0115 k = 0.0833 0.0613 0.8439 ( 6502 PWs) bands (ev): -7.6043 -7.6043 -6.8540 -6.8540 -6.8352 -6.8352 -6.8227 -6.8227 -2.4796 -2.4796 -2.4171 -2.4171 -2.0459 -2.0459 -1.7488 -1.7488 -1.7372 -1.7372 -1.5991 -1.5991 0.7094 0.7094 0.7717 0.7717 1.6258 1.6258 2.2610 2.2610 2.8143 2.8143 3.0590 3.0590 3.1467 3.1467 3.2669 3.2669 3.6724 3.6724 3.7036 3.7036 3.8092 3.8092 4.5832 4.5832 4.6165 4.6165 4.8720 4.8720 4.8936 4.8936 5.0870 5.0870 5.1616 5.1616 5.4835 5.4835 6.0436 6.0436 6.1993 6.1993 6.2391 6.2391 7.2003 7.2003 8.5103 8.5103 9.0414 9.0414 10.4617 10.4617 10.9393 10.9393 10.9853 10.9853 k = 0.1000 0.0735 0.8439 ( 6500 PWs) bands (ev): -7.6043 -7.6043 -6.8534 -6.8534 -6.8357 -6.8357 -6.8227 -6.8227 -2.4797 -2.4797 -2.4170 -2.4170 -2.0456 -2.0456 -1.7484 -1.7484 -1.7376 -1.7376 -1.5983 -1.5983 0.7032 0.7032 0.7888 0.7888 1.5649 1.5649 2.3204 2.3204 2.8383 2.8383 3.0482 3.0482 3.1469 3.1469 3.2668 3.2668 3.6589 3.6589 3.7008 3.7008 3.8049 3.8049 4.5839 4.5839 4.6150 4.6150 4.8764 4.8764 4.9004 4.9004 5.0819 5.0819 5.1446 5.1446 5.4990 5.4990 6.0442 6.0442 6.1642 6.1642 6.2380 6.2380 7.2377 7.2377 8.4785 8.4785 9.0969 9.0969 10.4391 10.4391 10.9345 10.9345 10.9669 10.9669 k = 0.1167 0.0858 0.8439 ( 6504 PWs) bands (ev): -7.6043 -7.6043 -6.8527 -6.8527 -6.8364 -6.8364 -6.8228 -6.8228 -2.4799 -2.4799 -2.4171 -2.4171 -2.0452 -2.0452 -1.7480 -1.7480 -1.7380 -1.7380 -1.5975 -1.5975 0.6963 0.6963 0.8094 0.8094 1.5049 1.5049 2.3785 2.3785 2.8637 2.8637 3.0368 3.0368 3.1471 3.1471 3.2667 3.2667 3.6391 3.6391 3.7020 3.7020 3.8000 3.8000 4.5846 4.5846 4.6134 4.6134 4.8813 4.8813 4.9084 4.9084 5.0759 5.0759 5.1266 5.1266 5.5173 5.5173 6.0448 6.0448 6.1252 6.1252 6.2369 6.2369 7.2792 7.2792 8.4427 8.4427 9.1600 9.1600 10.4074 10.4074 10.9139 10.9139 10.9676 10.9676 k = 0.1333 0.0981 0.8439 ( 6508 PWs) bands (ev): -7.6042 -7.6042 -6.8520 -6.8520 -6.8372 -6.8372 -6.8228 -6.8228 -2.4800 -2.4800 -2.4171 -2.4171 -2.0449 -2.0449 -1.7475 -1.7475 -1.7385 -1.7385 -1.5966 -1.5966 0.6891 0.6891 0.8332 0.8332 1.4461 1.4461 2.4349 2.4349 2.8879 2.8879 3.0268 3.0268 3.1474 3.1474 3.2665 3.2665 3.6152 3.6152 3.7051 3.7051 3.7945 3.7945 4.5856 4.5856 4.6116 4.6116 4.8867 4.8867 4.9175 4.9175 5.0687 5.0687 5.1083 5.1083 5.5385 5.5385 6.0449 6.0449 6.0838 6.0838 6.2358 6.2358 7.3235 7.3235 8.4038 8.4038 9.2298 9.2298 10.3650 10.3650 10.8916 10.8916 10.9741 10.9741 k = 0.1500 0.1103 0.8439 ( 6512 PWs) bands (ev): -7.6042 -7.6042 -6.8512 -6.8512 -6.8381 -6.8381 -6.8229 -6.8229 -2.4802 -2.4802 -2.4172 -2.4172 -2.0446 -2.0446 -1.7470 -1.7470 -1.7391 -1.7391 -1.5957 -1.5957 0.6820 0.6820 0.8602 0.8602 1.3887 1.3887 2.4893 2.4893 2.9054 2.9054 3.0224 3.0224 3.1478 3.1478 3.2662 3.2662 3.5886 3.5886 3.7094 3.7094 3.7885 3.7885 4.5866 4.5866 4.6096 4.6096 4.8926 4.8926 4.9273 4.9273 5.0603 5.0603 5.0906 5.0906 5.5626 5.5626 6.0335 6.0335 6.0516 6.0516 6.2348 6.2348 7.3695 7.3695 8.3629 8.3629 9.3053 9.3053 10.3115 10.3115 10.8745 10.8745 10.9739 10.9739 k = 0.1667 0.1226 0.8439 ( 6492 PWs) bands (ev): -7.6042 -7.6042 -6.8503 -6.8503 -6.8389 -6.8389 -6.8230 -6.8230 -2.4803 -2.4803 -2.4171 -2.4171 -2.0443 -2.0443 -1.7463 -1.7463 -1.7396 -1.7396 -1.5949 -1.5949 0.6754 0.6754 0.8902 0.8902 1.3328 1.3328 2.5416 2.5416 2.9093 2.9093 3.0297 3.0297 3.1485 3.1485 3.2658 3.2658 3.5607 3.5607 3.7144 3.7144 3.7821 3.7821 4.5878 4.5878 4.6077 4.6077 4.8990 4.8990 4.9376 4.9376 5.0503 5.0503 5.0746 5.0746 5.5896 5.5896 5.9911 5.9911 6.0492 6.0492 6.2338 6.2338 7.4153 7.4153 8.3216 8.3216 9.3857 9.3857 10.2475 10.2475 10.8638 10.8638 10.9629 10.9629 k = 0.1833 0.1348 0.8439 ( 6496 PWs) bands (ev): -7.6042 -7.6042 -6.8493 -6.8493 -6.8399 -6.8399 -6.8230 -6.8230 -2.4804 -2.4804 -2.4171 -2.4171 -2.0440 -2.0440 -1.7457 -1.7457 -1.7402 -1.7402 -1.5942 -1.5942 0.6696 0.6696 0.9231 0.9231 1.2787 1.2787 2.5913 2.5913 2.8985 2.8985 3.0484 3.0484 3.1495 3.1495 3.2653 3.2653 3.5325 3.5325 3.7199 3.7199 3.7755 3.7755 4.5893 4.5893 4.6056 4.6056 4.9058 4.9058 4.9481 4.9481 5.0389 5.0389 5.0608 5.0608 5.6195 5.6195 5.9454 5.9454 6.0495 6.0495 6.2329 6.2329 7.4590 7.4590 8.2817 8.2817 9.4700 9.4700 10.1746 10.1746 10.8595 10.8595 10.9478 10.9478 k = 0.2000 0.1471 0.8439 ( 6498 PWs) bands (ev): -7.6041 -7.6041 -6.8484 -6.8484 -6.8408 -6.8408 -6.8230 -6.8230 -2.4805 -2.4805 -2.4171 -2.4171 -2.0438 -2.0438 -1.7451 -1.7451 -1.7408 -1.7408 -1.5936 -1.5936 0.6648 0.6648 0.9589 0.9589 1.2264 1.2264 2.6379 2.6379 2.8782 2.8782 3.0713 3.0713 3.1513 3.1513 3.2646 3.2646 3.5058 3.5058 3.7259 3.7259 3.7686 3.7686 4.5907 4.5907 4.6035 4.6035 4.9126 4.9126 4.9581 4.9581 5.0270 5.0270 5.0494 5.0494 5.6522 5.6522 5.8996 5.8996 6.0499 6.0499 6.2322 6.2322 7.4982 7.4982 8.2455 8.2455 9.5573 9.5573 10.0947 10.0947 10.8606 10.8606 10.9319 10.9319 k = 0.2167 0.1593 0.8439 ( 6498 PWs) bands (ev): -7.6041 -7.6041 -6.8475 -6.8475 -6.8417 -6.8417 -6.8231 -6.8231 -2.4806 -2.4806 -2.4171 -2.4171 -2.0437 -2.0437 -1.7445 -1.7445 -1.7415 -1.7415 -1.5931 -1.5931 0.6613 0.6613 0.9973 0.9973 1.1760 1.1760 2.6804 2.6804 2.8530 2.8530 3.0919 3.0919 3.1540 3.1540 3.2637 3.2637 3.4832 3.4832 3.7321 3.7321 3.7618 3.7618 4.5923 4.5923 4.6015 4.6015 4.9189 4.9189 4.9670 4.9670 5.0166 5.0166 5.0399 5.0399 5.6874 5.6874 5.8546 5.8546 6.0503 6.0503 6.2316 6.2316 7.5299 7.5299 8.2161 8.2161 9.6467 9.6467 10.0099 10.0099 10.8660 10.8660 10.9161 10.9161 k = 0.2333 0.1716 0.8439 ( 6496 PWs) bands (ev): -7.6041 -7.6041 -6.8468 -6.8468 -6.8425 -6.8425 -6.8231 -6.8231 -2.4806 -2.4806 -2.4171 -2.4171 -2.0436 -2.0436 -1.7438 -1.7438 -1.7421 -1.7421 -1.5929 -1.5929 0.6591 0.6591 1.0383 1.0383 1.1279 1.1279 2.7159 2.7159 2.8275 2.8275 3.1053 3.1053 3.1574 3.1574 3.2628 3.2628 3.4676 3.4676 3.7381 3.7381 3.7554 3.7554 4.5938 4.5938 4.5998 4.5998 4.9236 4.9236 4.9734 4.9734 5.0096 5.0096 5.0330 5.0330 5.7246 5.7246 5.8114 5.8114 6.0506 6.0506 6.2313 6.2313 7.5508 7.5508 8.1965 8.1965 9.7368 9.7368 9.9223 9.9223 10.8746 10.8746 10.9014 10.9014 k = 0.2500 0.1839 0.8439 ( 6504 PWs) bands (ev): -7.6041 -7.6041 -6.8464 -6.8464 -6.8428 -6.8428 -6.8231 -6.8231 -2.4806 -2.4806 -2.4172 -2.4172 -2.0435 -2.0435 -1.7434 -1.7434 -1.7426 -1.7426 -1.5928 -1.5928 0.6583 0.6583 1.0796 1.0796 1.0842 1.0842 2.7327 2.7327 2.8140 2.8140 3.1097 3.1097 3.1591 3.1591 3.2623 3.2623 3.4620 3.4620 3.7417 3.7417 3.7517 3.7517 4.5945 4.5945 4.5990 4.5990 4.9254 4.9254 4.9758 4.9758 5.0072 5.0072 5.0303 5.0303 5.7541 5.7541 5.7798 5.7798 6.0506 6.0506 6.2312 6.2312 7.5581 7.5581 8.1896 8.1896 9.8116 9.8116 9.8482 9.8482 10.8827 10.8827 10.8914 10.8914 Writing output data file CdCu2GeSe4.save init_run : 2.50s CPU 2.03s WALL ( 1 calls) electrons : 466.50s CPU 344.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.16s CPU 0.28s WALL ( 1 calls) Called by electrons: c_bands : 466.49s CPU 344.03s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.04s WALL ( 1 calls) newd : 0.72s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.54s CPU 0.56s WALL ( 272 calls) cegterg : 392.28s CPU 302.38s WALL ( 368 calls) Called by sum_band: Called by *egterg: h_psi : 323.04s CPU 209.07s WALL ( 5814 calls) s_psi : 11.16s CPU 8.79s WALL ( 5814 calls) g_psi : 0.40s CPU 0.41s WALL ( 5174 calls) cdiaghg : 86.12s CPU 84.27s WALL ( 5446 calls) cegterg:over : 13.56s CPU 13.25s WALL ( 5174 calls) cegterg:upda : 11.52s CPU 11.12s WALL ( 5174 calls) cegterg:last : 5.16s CPU 5.22s WALL ( 912 calls) cdiaghg:chol : 4.88s CPU 4.91s WALL ( 5446 calls) cdiaghg:inve : 3.60s CPU 3.54s WALL ( 5446 calls) cdiaghg:para : 6.21s CPU 6.18s WALL ( 10892 calls) Called by h_psi: h_psi:vloc : 296.63s CPU 188.09s WALL ( 5814 calls) h_psi:vnl : 25.78s CPU 20.51s WALL ( 5814 calls) add_vuspsi : 13.58s CPU 10.58s WALL ( 5814 calls) General routines calbec : 12.16s CPU 9.91s WALL ( 5814 calls) fft : 0.16s CPU 0.15s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 268.58s CPU 165.49s WALL ( 906536 calls) interpolate : 0.04s CPU 0.03s WALL ( 4 calls) davcio : 0.45s CPU 1.63s WALL ( 544 calls) Parallel routines fft_scatter : 85.65s CPU 65.93s WALL ( 906559 calls) PWSCF : 8m14.04s CPU 6m27.81s WALL This run was terminated on: 15:52:12 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=