Program PWSCF v.5.1.1 starts on 7Oct2015 at 23:34: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./MnGaNi2.save/ file Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 79 22 6 2656 394 62 Max 80 23 7 2659 413 66 Sum 3807 1087 317 127553 19313 3063 bravais-lattice index = 14 lattice parameter (alat) = 7.7377 a.u. unit-cell volume = 332.3160 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 803.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.737692 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.484977 celldm(5)= -0.484977 celldm(6)= -0.030045 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.030045 0.999549 0.000000 ) a(3) = ( -0.484977 -0.499774 0.717651 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.030059 0.696718 ) b(2) = ( 0.000000 1.000452 0.696718 ) b(3) = ( 0.000000 0.000000 1.393436 ) PseudoPot. # 1 for Mn read from file: /home/autes/Pseudo/Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5689fa97e257199ddb8f72ed56aebbb6 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1187 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Mn 15.00 54.93800 Mn( 1.00) Ni 10.00 58.69340 Ni( 1.00) Ga 13.00 69.72300 Ga( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [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 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 411 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 2) = ( 0.0000000 0.0000000 0.0129022), wk = 0.0024331 k( 3) = ( 0.0000000 0.0000000 0.0258044), wk = 0.0024331 k( 4) = ( 0.0000000 0.0000000 0.0387065), wk = 0.0024331 k( 5) = ( 0.0000000 0.0000000 0.0516087), wk = 0.0024331 k( 6) = ( 0.0000000 0.0000000 0.0645109), wk = 0.0024331 k( 7) = ( 0.0000000 0.0000000 0.0774131), wk = 0.0024331 k( 8) = ( 0.0000000 0.0000000 0.0903153), wk = 0.0024331 k( 9) = ( 0.0000000 0.0000000 0.1032174), wk = 0.0024331 k( 10) = ( 0.0000000 0.0000000 0.1161196), wk = 0.0024331 k( 11) = ( 0.0000000 0.0000000 0.1290218), wk = 0.0024331 k( 12) = ( 0.0000000 0.0000000 0.1419240), wk = 0.0024331 k( 13) = ( 0.0000000 0.0000000 0.1548262), wk = 0.0024331 k( 14) = ( 0.0000000 0.0000000 0.1677284), wk = 0.0024331 k( 15) = ( 0.0000000 0.0000000 0.1806305), wk = 0.0024331 k( 16) = ( 0.0000000 0.0000000 0.1935327), wk = 0.0024331 k( 17) = ( 0.0000000 0.0000000 0.2064349), wk = 0.0024331 k( 18) = ( 0.0000000 0.0000000 0.2193371), wk = 0.0024331 k( 19) = ( 0.0000000 0.0000000 0.2322393), wk = 0.0024331 k( 20) = ( 0.0000000 0.0000000 0.2451414), wk = 0.0024331 k( 21) = ( 0.0000000 0.0000000 0.2580436), wk = 0.0024331 k( 22) = ( 0.0000000 0.0000000 0.2709458), wk = 0.0024331 k( 23) = ( 0.0000000 0.0000000 0.2838480), wk = 0.0024331 k( 24) = ( 0.0000000 0.0000000 0.2967502), wk = 0.0024331 k( 25) = ( 0.0000000 0.0000000 0.3096523), wk = 0.0024331 k( 26) = ( 0.0000000 0.0000000 0.3225545), wk = 0.0024331 k( 27) = ( 0.0000000 0.0000000 0.3354567), wk = 0.0024331 k( 28) = ( 0.0000000 0.0000000 0.3483589), wk = 0.0024331 k( 29) = ( 0.0000000 0.0000000 0.3612611), wk = 0.0024331 k( 30) = ( 0.0000000 0.0000000 0.3741633), wk = 0.0024331 k( 31) = ( 0.0000000 0.0000000 0.3870654), wk = 0.0024331 k( 32) = ( 0.0000000 0.0000000 0.3999676), wk = 0.0024331 k( 33) = ( 0.0000000 0.0000000 0.4128698), wk = 0.0024331 k( 34) = ( 0.0000000 0.0000000 0.4257720), wk = 0.0024331 k( 35) = ( 0.0000000 0.0000000 0.4386742), wk = 0.0024331 k( 36) = ( 0.0000000 0.0000000 0.4515763), wk = 0.0024331 k( 37) = ( 0.0000000 0.0000000 0.4644785), wk = 0.0024331 k( 38) = ( 0.0000000 0.0000000 0.4773807), wk = 0.0024331 k( 39) = ( 0.0000000 0.0000000 0.4902829), wk = 0.0024331 k( 40) = ( 0.0000000 0.0000000 0.5031851), wk = 0.0024331 k( 41) = ( 0.0000000 0.0000000 0.5160872), wk = 0.0024331 k( 42) = ( 0.0000000 0.0000000 0.5289894), wk = 0.0024331 k( 43) = ( 0.0000000 0.0000000 0.5418916), wk = 0.0024331 k( 44) = ( 0.0000000 0.0000000 0.5547938), wk = 0.0024331 k( 45) = ( 0.0000000 0.0000000 0.5676960), wk = 0.0024331 k( 46) = ( 0.0000000 0.0000000 0.5805982), wk = 0.0024331 k( 47) = ( 0.0000000 0.0000000 0.5935003), wk = 0.0024331 k( 48) = ( 0.0000000 0.0000000 0.6064025), wk = 0.0024331 k( 49) = ( 0.0000000 0.0000000 0.6193047), wk = 0.0024331 k( 50) = ( 0.0000000 0.0000000 0.6322069), wk = 0.0024331 k( 51) = ( 0.0000000 0.0000000 0.6451091), wk = 0.0024331 k( 52) = ( 0.0000000 0.0000000 0.6580112), wk = 0.0024331 k( 53) = ( 0.0000000 0.0000000 0.6709134), wk = 0.0024331 k( 54) = ( 0.0000000 0.0000000 0.6838156), wk = 0.0024331 k( 55) = ( 0.0000000 0.0000000 0.6967178), wk = 0.0024331 k( 56) = ( 0.0000000 0.0000000 0.6967178), wk = 0.0024331 k( 57) = ( -0.0091547 0.0088837 0.6967178), wk = 0.0024331 k( 58) = ( -0.0183095 0.0177674 0.6967178), wk = 0.0024331 k( 59) = ( -0.0274643 0.0266511 0.6967178), wk = 0.0024331 k( 60) = ( -0.0366190 0.0355348 0.6967178), wk = 0.0024331 k( 61) = ( -0.0457738 0.0444185 0.6967178), wk = 0.0024331 k( 62) = ( -0.0549285 0.0533023 0.6967178), wk = 0.0024331 k( 63) = ( -0.0640833 0.0621860 0.6967178), wk = 0.0024331 k( 64) = ( -0.0732380 0.0710697 0.6967178), wk = 0.0024331 k( 65) = ( -0.0823928 0.0799534 0.6967178), wk = 0.0024331 k( 66) = ( -0.0915475 0.0888371 0.6967178), wk = 0.0024331 k( 67) = ( -0.1007023 0.0977208 0.6967178), wk = 0.0024331 k( 68) = ( -0.1098570 0.1066045 0.6967178), wk = 0.0024331 k( 69) = ( -0.1190118 0.1154882 0.6967178), wk = 0.0024331 k( 70) = ( -0.1281665 0.1243719 0.6967178), wk = 0.0024331 k( 71) = ( -0.1373213 0.1332556 0.6967178), wk = 0.0024331 k( 72) = ( -0.1464760 0.1421393 0.6967178), wk = 0.0024331 k( 73) = ( -0.1556308 0.1510231 0.6967178), wk = 0.0024331 k( 74) = ( -0.1647856 0.1599068 0.6967178), wk = 0.0024331 k( 75) = ( -0.1739403 0.1687905 0.6967178), wk = 0.0024331 k( 76) = ( -0.1830951 0.1776742 0.6967178), wk = 0.0024331 k( 77) = ( -0.1922498 0.1865579 0.6967178), wk = 0.0024331 k( 78) = ( -0.2014046 0.1954416 0.6967178), wk = 0.0024331 k( 79) = ( -0.2105593 0.2043253 0.6967178), wk = 0.0024331 k( 80) = ( -0.2197141 0.2132090 0.6967178), wk = 0.0024331 k( 81) = ( -0.2288688 0.2220927 0.6967178), wk = 0.0024331 k( 82) = ( -0.2380236 0.2309764 0.6967178), wk = 0.0024331 k( 83) = ( -0.2471783 0.2398601 0.6967178), wk = 0.0024331 k( 84) = ( -0.2563331 0.2487439 0.6967178), wk = 0.0024331 k( 85) = ( -0.2654879 0.2576276 0.6967178), wk = 0.0024331 k( 86) = ( -0.2654879 0.2576276 0.6967178), wk = 0.0024331 k( 87) = ( -0.2720021 0.2639489 0.6876406), wk = 0.0024331 k( 88) = ( -0.2785163 0.2702703 0.6785635), wk = 0.0024331 k( 89) = ( -0.2850305 0.2765916 0.6694863), wk = 0.0024331 k( 90) = ( -0.2915448 0.2829130 0.6604092), wk = 0.0024331 k( 91) = ( -0.2980590 0.2892344 0.6513320), wk = 0.0024331 k( 92) = ( -0.3045732 0.2955557 0.6422549), wk = 0.0024331 k( 93) = ( -0.3110874 0.3018771 0.6331777), wk = 0.0024331 k( 94) = ( -0.3176017 0.3081984 0.6241005), wk = 0.0024331 k( 95) = ( -0.3241159 0.3145198 0.6150234), wk = 0.0024331 k( 96) = ( -0.3306301 0.3208412 0.6059462), wk = 0.0024331 k( 97) = ( -0.3371443 0.3271625 0.5968691), wk = 0.0024331 k( 98) = ( -0.3436586 0.3334839 0.5877919), wk = 0.0024331 k( 99) = ( -0.3501728 0.3398052 0.5787148), wk = 0.0024331 k( 100) = ( -0.3566870 0.3461266 0.5696376), wk = 0.0024331 k( 101) = ( -0.3632012 0.3524480 0.5605605), wk = 0.0024331 k( 102) = ( -0.3697155 0.3587693 0.5514833), wk = 0.0024331 k( 103) = ( -0.3762297 0.3650907 0.5424062), wk = 0.0024331 k( 104) = ( -0.3827439 0.3714120 0.5333290), wk = 0.0024331 k( 105) = ( -0.3827439 0.3714120 0.5333290), wk = 0.0024331 k( 106) = ( -0.3761449 0.3650084 0.5241337), wk = 0.0024331 k( 107) = ( -0.3695459 0.3586047 0.5149383), wk = 0.0024331 k( 108) = ( -0.3629468 0.3522011 0.5057430), wk = 0.0024331 k( 109) = ( -0.3563478 0.3457974 0.4965477), wk = 0.0024331 k( 110) = ( -0.3497488 0.3393938 0.4873524), wk = 0.0024331 k( 111) = ( -0.3431497 0.3329901 0.4781570), wk = 0.0024331 k( 112) = ( -0.3365507 0.3265865 0.4689617), wk = 0.0024331 k( 113) = ( -0.3299517 0.3201828 0.4597664), wk = 0.0024331 k( 114) = ( -0.3233526 0.3137791 0.4505711), wk = 0.0024331 k( 115) = ( -0.3167536 0.3073755 0.4413757), wk = 0.0024331 k( 116) = ( -0.3101546 0.3009718 0.4321804), wk = 0.0024331 k( 117) = ( -0.3035555 0.2945682 0.4229851), wk = 0.0024331 k( 118) = ( -0.2969565 0.2881645 0.4137897), wk = 0.0024331 k( 119) = ( -0.2903575 0.2817609 0.4045944), wk = 0.0024331 k( 120) = ( -0.2837584 0.2753572 0.3953991), wk = 0.0024331 k( 121) = ( -0.2771594 0.2689535 0.3862038), wk = 0.0024331 k( 122) = ( -0.2705604 0.2625499 0.3770084), wk = 0.0024331 k( 123) = ( -0.2639613 0.2561462 0.3678131), wk = 0.0024331 k( 124) = ( -0.2573623 0.2497426 0.3586178), wk = 0.0024331 k( 125) = ( -0.2507633 0.2433389 0.3494224), wk = 0.0024331 k( 126) = ( -0.2441642 0.2369353 0.3402271), wk = 0.0024331 k( 127) = ( -0.2375652 0.2305316 0.3310318), wk = 0.0024331 k( 128) = ( -0.2309662 0.2241280 0.3218365), wk = 0.0024331 k( 129) = ( -0.2243671 0.2177243 0.3126411), wk = 0.0024331 k( 130) = ( -0.2177681 0.2113206 0.3034458), wk = 0.0024331 k( 131) = ( -0.2111691 0.2049170 0.2942505), wk = 0.0024331 k( 132) = ( -0.2045700 0.1985133 0.2850552), wk = 0.0024331 k( 133) = ( -0.1979710 0.1921097 0.2758598), wk = 0.0024331 k( 134) = ( -0.1913720 0.1857060 0.2666645), wk = 0.0024331 k( 135) = ( -0.1847729 0.1793024 0.2574692), wk = 0.0024331 k( 136) = ( -0.1781739 0.1728987 0.2482738), wk = 0.0024331 k( 137) = ( -0.1715749 0.1664951 0.2390785), wk = 0.0024331 k( 138) = ( -0.1649758 0.1600914 0.2298832), wk = 0.0024331 k( 139) = ( -0.1583768 0.1536877 0.2206879), wk = 0.0024331 k( 140) = ( -0.1517778 0.1472841 0.2114925), wk = 0.0024331 k( 141) = ( -0.1451787 0.1408804 0.2022972), wk = 0.0024331 k( 142) = ( -0.1385797 0.1344768 0.1931019), wk = 0.0024331 k( 143) = ( -0.1319807 0.1280731 0.1839065), wk = 0.0024331 k( 144) = ( -0.1253816 0.1216695 0.1747112), wk = 0.0024331 k( 145) = ( -0.1187826 0.1152658 0.1655159), wk = 0.0024331 k( 146) = ( -0.1121836 0.1088621 0.1563206), wk = 0.0024331 k( 147) = ( -0.1055845 0.1024585 0.1471252), wk = 0.0024331 k( 148) = ( -0.0989855 0.0960548 0.1379299), wk = 0.0024331 k( 149) = ( -0.0923865 0.0896512 0.1287346), wk = 0.0024331 k( 150) = ( -0.0857874 0.0832475 0.1195393), wk = 0.0024331 k( 151) = ( -0.0791884 0.0768439 0.1103439), wk = 0.0024331 k( 152) = ( -0.0725894 0.0704402 0.1011486), wk = 0.0024331 k( 153) = ( -0.0659903 0.0640366 0.0919533), wk = 0.0024331 k( 154) = ( -0.0593913 0.0576329 0.0827579), wk = 0.0024331 k( 155) = ( -0.0527923 0.0512293 0.0735626), wk = 0.0024331 k( 156) = ( -0.0461932 0.0448256 0.0643673), wk = 0.0024331 k( 157) = ( -0.0395942 0.0384219 0.0551720), wk = 0.0024331 k( 158) = ( -0.0329952 0.0320183 0.0459766), wk = 0.0024331 k( 159) = ( -0.0263961 0.0256146 0.0367813), wk = 0.0024331 k( 160) = ( -0.0197971 0.0192110 0.0275860), wk = 0.0024331 k( 161) = ( -0.0131981 0.0128073 0.0183907), wk = 0.0024331 k( 162) = ( -0.0065990 0.0064037 0.0091953), wk = 0.0024331 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 165) = ( 0.0089286 0.0092010 -0.0000000), wk = 0.0024331 k( 166) = ( 0.0178571 0.0184020 -0.0000000), wk = 0.0024331 k( 167) = ( 0.0267857 0.0276029 -0.0000000), wk = 0.0024331 k( 168) = ( 0.0357143 0.0368039 -0.0000000), wk = 0.0024331 k( 169) = ( 0.0446429 0.0460049 -0.0000000), wk = 0.0024331 k( 170) = ( 0.0535714 0.0552059 -0.0000000), wk = 0.0024331 k( 171) = ( 0.0625000 0.0644069 -0.0000000), wk = 0.0024331 k( 172) = ( 0.0714286 0.0736079 -0.0000000), wk = 0.0024331 k( 173) = ( 0.0803571 0.0828089 -0.0000000), wk = 0.0024331 k( 174) = ( 0.0892857 0.0920098 -0.0000000), wk = 0.0024331 k( 175) = ( 0.0982143 0.1012108 -0.0000000), wk = 0.0024331 k( 176) = ( 0.1071429 0.1104118 -0.0000000), wk = 0.0024331 k( 177) = ( 0.1160714 0.1196128 -0.0000000), wk = 0.0024331 k( 178) = ( 0.1250000 0.1288138 -0.0000000), wk = 0.0024331 k( 179) = ( 0.1339286 0.1380148 -0.0000000), wk = 0.0024331 k( 180) = ( 0.1428571 0.1472157 -0.0000000), wk = 0.0024331 k( 181) = ( 0.1517857 0.1564167 -0.0000000), wk = 0.0024331 k( 182) = ( 0.1607143 0.1656177 -0.0000000), wk = 0.0024331 k( 183) = ( 0.1696429 0.1748187 -0.0000000), wk = 0.0024331 k( 184) = ( 0.1785714 0.1840197 -0.0000000), wk = 0.0024331 k( 185) = ( 0.1875000 0.1932207 -0.0000000), wk = 0.0024331 k( 186) = ( 0.1964286 0.2024217 -0.0000000), wk = 0.0024331 k( 187) = ( 0.2053571 0.2116226 -0.0000000), wk = 0.0024331 k( 188) = ( 0.2142857 0.2208236 -0.0000000), wk = 0.0024331 k( 189) = ( 0.2232143 0.2300246 -0.0000000), wk = 0.0024331 k( 190) = ( 0.2321429 0.2392256 -0.0000000), wk = 0.0024331 k( 191) = ( 0.2410714 0.2484266 -0.0000000), wk = 0.0024331 k( 192) = ( 0.2500000 0.2576276 -0.0000000), wk = 0.0024331 k( 193) = ( 0.2589286 0.2668285 -0.0000000), wk = 0.0024331 k( 194) = ( 0.2678571 0.2760295 -0.0000000), wk = 0.0024331 k( 195) = ( 0.2767857 0.2852305 -0.0000000), wk = 0.0024331 k( 196) = ( 0.2857143 0.2944315 -0.0000000), wk = 0.0024331 k( 197) = ( 0.2946429 0.3036325 -0.0000000), wk = 0.0024331 k( 198) = ( 0.3035714 0.3128335 -0.0000000), wk = 0.0024331 k( 199) = ( 0.3125000 0.3220345 -0.0000000), wk = 0.0024331 k( 200) = ( 0.3214286 0.3312354 -0.0000000), wk = 0.0024331 k( 201) = ( 0.3303571 0.3404364 -0.0000000), wk = 0.0024331 k( 202) = ( 0.3392857 0.3496374 -0.0000000), wk = 0.0024331 k( 203) = ( 0.3482143 0.3588384 -0.0000000), wk = 0.0024331 k( 204) = ( 0.3571429 0.3680394 -0.0000000), wk = 0.0024331 k( 205) = ( 0.3660714 0.3772404 -0.0000000), wk = 0.0024331 k( 206) = ( 0.3750000 0.3864413 -0.0000000), wk = 0.0024331 k( 207) = ( 0.3839286 0.3956423 -0.0000000), wk = 0.0024331 k( 208) = ( 0.3928571 0.4048433 -0.0000000), wk = 0.0024331 k( 209) = ( 0.4017857 0.4140443 -0.0000000), wk = 0.0024331 k( 210) = ( 0.4107143 0.4232453 -0.0000000), wk = 0.0024331 k( 211) = ( 0.4196429 0.4324463 -0.0000000), wk = 0.0024331 k( 212) = ( 0.4285714 0.4416473 -0.0000000), wk = 0.0024331 k( 213) = ( 0.4375000 0.4508482 -0.0000000), wk = 0.0024331 k( 214) = ( 0.4464286 0.4600492 -0.0000000), wk = 0.0024331 k( 215) = ( 0.4553571 0.4692502 -0.0000000), wk = 0.0024331 k( 216) = ( 0.4642857 0.4784512 -0.0000000), wk = 0.0024331 k( 217) = ( 0.4732143 0.4876522 -0.0000000), wk = 0.0024331 k( 218) = ( 0.4821429 0.4968532 -0.0000000), wk = 0.0024331 k( 219) = ( 0.4910714 0.5060541 -0.0000000), wk = 0.0024331 k( 220) = ( 0.5000000 0.5152551 -0.0000000), wk = 0.0024331 k( 221) = ( 0.5000000 0.5152551 -0.0000000), wk = 0.0024331 k( 222) = ( 0.4934858 0.5215765 0.0090772), wk = 0.0024331 k( 223) = ( 0.4869715 0.5278978 0.0181543), wk = 0.0024331 k( 224) = ( 0.4804573 0.5342192 0.0272315), wk = 0.0024331 k( 225) = ( 0.4739431 0.5405406 0.0363086), wk = 0.0024331 k( 226) = ( 0.4674289 0.5468619 0.0453858), wk = 0.0024331 k( 227) = ( 0.4609146 0.5531833 0.0544629), wk = 0.0024331 k( 228) = ( 0.4544004 0.5595047 0.0635401), wk = 0.0024331 k( 229) = ( 0.4478862 0.5658260 0.0726172), wk = 0.0024331 k( 230) = ( 0.4413720 0.5721474 0.0816944), wk = 0.0024331 k( 231) = ( 0.4348577 0.5784687 0.0907715), wk = 0.0024331 k( 232) = ( 0.4283435 0.5847901 0.0998487), wk = 0.0024331 k( 233) = ( 0.4218293 0.5911115 0.1089259), wk = 0.0024331 k( 234) = ( 0.4153151 0.5974328 0.1180030), wk = 0.0024331 k( 235) = ( 0.4088008 0.6037542 0.1270802), wk = 0.0024331 k( 236) = ( 0.4022866 0.6100755 0.1361573), wk = 0.0024331 k( 237) = ( 0.3957724 0.6163969 0.1452345), wk = 0.0024331 k( 238) = ( 0.3892582 0.6227183 0.1543116), wk = 0.0024331 k( 239) = ( 0.3827439 0.6290396 0.1633888), wk = 0.0024331 k( 240) = ( 0.3827439 0.6290396 0.1633888), wk = 0.0024331 k( 241) = ( 0.3718084 0.6253592 0.1686736), wk = 0.0024331 k( 242) = ( 0.3608728 0.6216788 0.1739585), wk = 0.0024331 k( 243) = ( 0.3499373 0.6179984 0.1792434), wk = 0.0024331 k( 244) = ( 0.3390018 0.6143180 0.1845282), wk = 0.0024331 k( 245) = ( 0.3280662 0.6106376 0.1898131), wk = 0.0024331 k( 246) = ( 0.3171307 0.6069572 0.1950979), wk = 0.0024331 k( 247) = ( 0.3061951 0.6032769 0.2003828), wk = 0.0024331 k( 248) = ( 0.2952596 0.5995965 0.2056677), wk = 0.0024331 k( 249) = ( 0.2843241 0.5959161 0.2109525), wk = 0.0024331 k( 250) = ( 0.2733885 0.5922357 0.2162374), wk = 0.0024331 k( 251) = ( 0.2624530 0.5885553 0.2215222), wk = 0.0024331 k( 252) = ( 0.2515174 0.5848749 0.2268071), wk = 0.0024331 k( 253) = ( 0.2405819 0.5811945 0.2320920), wk = 0.0024331 k( 254) = ( 0.2296463 0.5775141 0.2373768), wk = 0.0024331 k( 255) = ( 0.2187108 0.5738337 0.2426617), wk = 0.0024331 k( 256) = ( 0.2077753 0.5701533 0.2479466), wk = 0.0024331 k( 257) = ( 0.1968397 0.5664729 0.2532314), wk = 0.0024331 k( 258) = ( 0.1859042 0.5627925 0.2585163), wk = 0.0024331 k( 259) = ( 0.1749687 0.5591121 0.2638011), wk = 0.0024331 k( 260) = ( 0.1640331 0.5554317 0.2690860), wk = 0.0024331 k( 261) = ( 0.1530976 0.5517513 0.2743708), wk = 0.0024331 k( 262) = ( 0.1421620 0.5480710 0.2796557), wk = 0.0024331 k( 263) = ( 0.1312265 0.5443906 0.2849406), wk = 0.0024331 k( 264) = ( 0.1202909 0.5407102 0.2902254), wk = 0.0024331 k( 265) = ( 0.1093554 0.5370298 0.2955103), wk = 0.0024331 k( 266) = ( 0.0984199 0.5333494 0.3007951), wk = 0.0024331 k( 267) = ( 0.0874843 0.5296690 0.3060800), wk = 0.0024331 k( 268) = ( 0.0765488 0.5259886 0.3113649), wk = 0.0024331 k( 269) = ( 0.0656132 0.5223082 0.3166497), wk = 0.0024331 k( 270) = ( 0.0546777 0.5186278 0.3219346), wk = 0.0024331 k( 271) = ( 0.0437422 0.5149474 0.3272195), wk = 0.0024331 k( 272) = ( 0.0328066 0.5112670 0.3325043), wk = 0.0024331 k( 273) = ( 0.0218711 0.5075866 0.3377892), wk = 0.0024331 k( 274) = ( 0.0109355 0.5039062 0.3430740), wk = 0.0024331 k( 275) = ( 0.0000000 0.5002258 0.3483589), wk = 0.0024331 k( 276) = ( 0.0000000 0.5002258 0.3483589), wk = 0.0024331 k( 277) = ( 0.0065790 0.4938417 0.3575262), wk = 0.0024331 k( 278) = ( 0.0131579 0.4874575 0.3666936), wk = 0.0024331 k( 279) = ( 0.0197368 0.4810733 0.3758609), wk = 0.0024331 k( 280) = ( 0.0263158 0.4746892 0.3850283), wk = 0.0024331 k( 281) = ( 0.0328947 0.4683050 0.3941956), wk = 0.0024331 k( 282) = ( 0.0394737 0.4619208 0.4033629), wk = 0.0024331 k( 283) = ( 0.0460526 0.4555367 0.4125303), wk = 0.0024331 k( 284) = ( 0.0526316 0.4491525 0.4216976), wk = 0.0024331 k( 285) = ( 0.0592105 0.4427683 0.4308650), wk = 0.0024331 k( 286) = ( 0.0657895 0.4363842 0.4400323), wk = 0.0024331 k( 287) = ( 0.0723684 0.4300000 0.4491996), wk = 0.0024331 k( 288) = ( 0.0789474 0.4236158 0.4583670), wk = 0.0024331 k( 289) = ( 0.0855263 0.4172317 0.4675343), wk = 0.0024331 k( 290) = ( 0.0921053 0.4108475 0.4767016), wk = 0.0024331 k( 291) = ( 0.0986842 0.4044634 0.4858690), wk = 0.0024331 k( 292) = ( 0.1052632 0.3980792 0.4950363), wk = 0.0024331 k( 293) = ( 0.1118421 0.3916950 0.5042037), wk = 0.0024331 k( 294) = ( 0.1184210 0.3853109 0.5133710), wk = 0.0024331 k( 295) = ( 0.1250000 0.3789267 0.5225383), wk = 0.0024331 k( 296) = ( 0.1315790 0.3725425 0.5317057), wk = 0.0024331 k( 297) = ( 0.1381579 0.3661584 0.5408730), wk = 0.0024331 k( 298) = ( 0.1447368 0.3597742 0.5500404), wk = 0.0024331 k( 299) = ( 0.1513158 0.3533900 0.5592077), wk = 0.0024331 k( 300) = ( 0.1578947 0.3470059 0.5683750), wk = 0.0024331 k( 301) = ( 0.1644737 0.3406217 0.5775424), wk = 0.0024331 k( 302) = ( 0.1710526 0.3342375 0.5867097), wk = 0.0024331 k( 303) = ( 0.1776316 0.3278534 0.5958771), wk = 0.0024331 k( 304) = ( 0.1842105 0.3214692 0.6050444), wk = 0.0024331 k( 305) = ( 0.1907895 0.3150851 0.6142117), wk = 0.0024331 k( 306) = ( 0.1973684 0.3087009 0.6233791), wk = 0.0024331 k( 307) = ( 0.2039474 0.3023167 0.6325464), wk = 0.0024331 k( 308) = ( 0.2105263 0.2959325 0.6417138), wk = 0.0024331 k( 309) = ( 0.2171053 0.2895484 0.6508811), wk = 0.0024331 k( 310) = ( 0.2236842 0.2831642 0.6600484), wk = 0.0024331 k( 311) = ( 0.2302632 0.2767801 0.6692158), wk = 0.0024331 k( 312) = ( 0.2368421 0.2703959 0.6783831), wk = 0.0024331 k( 313) = ( 0.2434210 0.2640117 0.6875504), wk = 0.0024331 k( 314) = ( 0.2500000 0.2576276 0.6967178), wk = 0.0024331 k( 315) = ( 0.2500000 0.2576276 0.6967178), wk = 0.0024331 k( 316) = ( 0.2562500 0.2640683 0.6874693), wk = 0.0024331 k( 317) = ( 0.2625000 0.2705089 0.6782208), wk = 0.0024331 k( 318) = ( 0.2687500 0.2769496 0.6689723), wk = 0.0024331 k( 319) = ( 0.2750000 0.2833903 0.6597238), wk = 0.0024331 k( 320) = ( 0.2812500 0.2898310 0.6504753), wk = 0.0024331 k( 321) = ( 0.2875000 0.2962717 0.6412267), wk = 0.0024331 k( 322) = ( 0.2937500 0.3027124 0.6319783), wk = 0.0024331 k( 323) = ( 0.3000000 0.3091531 0.6227297), wk = 0.0024331 k( 324) = ( 0.3062500 0.3155938 0.6134812), wk = 0.0024331 k( 325) = ( 0.3125000 0.3220345 0.6042327), wk = 0.0024331 k( 326) = ( 0.3187500 0.3284751 0.5949842), wk = 0.0024331 k( 327) = ( 0.3250000 0.3349158 0.5857357), wk = 0.0024331 k( 328) = ( 0.3312500 0.3413565 0.5764872), wk = 0.0024331 k( 329) = ( 0.3375000 0.3477972 0.5672387), wk = 0.0024331 k( 330) = ( 0.3437500 0.3542379 0.5579902), wk = 0.0024331 k( 331) = ( 0.3500000 0.3606786 0.5487417), wk = 0.0024331 k( 332) = ( 0.3562500 0.3671193 0.5394932), wk = 0.0024331 k( 333) = ( 0.3625000 0.3735600 0.5302447), wk = 0.0024331 k( 334) = ( 0.3687500 0.3800007 0.5209962), wk = 0.0024331 k( 335) = ( 0.3750000 0.3864413 0.5117477), wk = 0.0024331 k( 336) = ( 0.3812500 0.3928820 0.5024992), wk = 0.0024331 k( 337) = ( 0.3875000 0.3993227 0.4932507), wk = 0.0024331 k( 338) = ( 0.3937500 0.4057634 0.4840022), wk = 0.0024331 k( 339) = ( 0.4000000 0.4122041 0.4747537), wk = 0.0024331 k( 340) = ( 0.4062500 0.4186448 0.4655052), wk = 0.0024331 k( 341) = ( 0.4125000 0.4250855 0.4562566), wk = 0.0024331 k( 342) = ( 0.4187500 0.4315262 0.4470081), wk = 0.0024331 k( 343) = ( 0.4250000 0.4379669 0.4377596), wk = 0.0024331 k( 344) = ( 0.4312500 0.4444075 0.4285111), wk = 0.0024331 k( 345) = ( 0.4375000 0.4508482 0.4192626), wk = 0.0024331 k( 346) = ( 0.4437500 0.4572889 0.4100141), wk = 0.0024331 k( 347) = ( 0.4500000 0.4637296 0.4007656), wk = 0.0024331 k( 348) = ( 0.4562500 0.4701703 0.3915171), wk = 0.0024331 k( 349) = ( 0.4625000 0.4766110 0.3822686), wk = 0.0024331 k( 350) = ( 0.4687500 0.4830517 0.3730201), wk = 0.0024331 k( 351) = ( 0.4750000 0.4894924 0.3637716), wk = 0.0024331 k( 352) = ( 0.4812500 0.4959331 0.3545231), wk = 0.0024331 k( 353) = ( 0.4875000 0.5023738 0.3452746), wk = 0.0024331 k( 354) = ( 0.4937500 0.5088144 0.3360261), wk = 0.0024331 k( 355) = ( 0.5000000 0.5152551 0.3267776), wk = 0.0024331 k( 356) = ( 0.5000000 0.5152551 0.3267776), wk = 0.0024331 k( 357) = ( 0.5000000 0.5152551 0.3142092), wk = 0.0024331 k( 358) = ( 0.5000000 0.5152551 0.3016408), wk = 0.0024331 k( 359) = ( 0.5000000 0.5152551 0.2890725), wk = 0.0024331 k( 360) = ( 0.5000000 0.5152551 0.2765041), wk = 0.0024331 k( 361) = ( 0.5000000 0.5152551 0.2639357), wk = 0.0024331 k( 362) = ( 0.5000000 0.5152551 0.2513674), wk = 0.0024331 k( 363) = ( 0.5000000 0.5152551 0.2387990), wk = 0.0024331 k( 364) = ( 0.5000000 0.5152551 0.2262306), wk = 0.0024331 k( 365) = ( 0.5000000 0.5152551 0.2136623), wk = 0.0024331 k( 366) = ( 0.5000000 0.5152551 0.2010939), wk = 0.0024331 k( 367) = ( 0.5000000 0.5152551 0.1885255), wk = 0.0024331 k( 368) = ( 0.5000000 0.5152551 0.1759571), wk = 0.0024331 k( 369) = ( 0.5000000 0.5152551 0.1633888), wk = 0.0024331 k( 370) = ( 0.5000000 0.5152551 0.1508204), wk = 0.0024331 k( 371) = ( 0.5000000 0.5152551 0.1382521), wk = 0.0024331 k( 372) = ( 0.5000000 0.5152551 0.1256837), wk = 0.0024331 k( 373) = ( 0.5000000 0.5152551 0.1131153), wk = 0.0024331 k( 374) = ( 0.5000000 0.5152551 0.1005470), wk = 0.0024331 k( 375) = ( 0.5000000 0.5152551 0.0879786), wk = 0.0024331 k( 376) = ( 0.5000000 0.5152551 0.0754102), wk = 0.0024331 k( 377) = ( 0.5000000 0.5152551 0.0628418), wk = 0.0024331 k( 378) = ( 0.5000000 0.5152551 0.0502735), wk = 0.0024331 k( 379) = ( 0.5000000 0.5152551 0.0377051), wk = 0.0024331 k( 380) = ( 0.5000000 0.5152551 0.0251367), wk = 0.0024331 k( 381) = ( 0.5000000 0.5152551 0.0125684), wk = 0.0024331 k( 382) = ( 0.5000000 0.5152551 -0.0000000), wk = 0.0024331 k( 383) = ( 0.0000000 0.0000000 0.6967178), wk = 0.0024331 k( 384) = ( 0.0089286 0.0092010 0.6967178), wk = 0.0024331 k( 385) = ( 0.0178571 0.0184020 0.6967178), wk = 0.0024331 k( 386) = ( 0.0267857 0.0276029 0.6967178), wk = 0.0024331 k( 387) = ( 0.0357143 0.0368039 0.6967178), wk = 0.0024331 k( 388) = ( 0.0446429 0.0460049 0.6967178), wk = 0.0024331 k( 389) = ( 0.0535714 0.0552059 0.6967178), wk = 0.0024331 k( 390) = ( 0.0625000 0.0644069 0.6967178), wk = 0.0024331 k( 391) = ( 0.0714286 0.0736079 0.6967178), wk = 0.0024331 k( 392) = ( 0.0803571 0.0828089 0.6967178), wk = 0.0024331 k( 393) = ( 0.0892857 0.0920098 0.6967178), wk = 0.0024331 k( 394) = ( 0.0982143 0.1012108 0.6967178), wk = 0.0024331 k( 395) = ( 0.1071429 0.1104118 0.6967178), wk = 0.0024331 k( 396) = ( 0.1160714 0.1196128 0.6967178), wk = 0.0024331 k( 397) = ( 0.1250000 0.1288138 0.6967178), wk = 0.0024331 k( 398) = ( 0.1339286 0.1380148 0.6967178), wk = 0.0024331 k( 399) = ( 0.1428571 0.1472157 0.6967178), wk = 0.0024331 k( 400) = ( 0.1517857 0.1564167 0.6967178), wk = 0.0024331 k( 401) = ( 0.1607143 0.1656177 0.6967178), wk = 0.0024331 k( 402) = ( 0.1696429 0.1748187 0.6967178), wk = 0.0024331 k( 403) = ( 0.1785714 0.1840197 0.6967178), wk = 0.0024331 k( 404) = ( 0.1875000 0.1932207 0.6967178), wk = 0.0024331 k( 405) = ( 0.1964286 0.2024217 0.6967178), wk = 0.0024331 k( 406) = ( 0.2053571 0.2116226 0.6967178), wk = 0.0024331 k( 407) = ( 0.2142857 0.2208236 0.6967178), wk = 0.0024331 k( 408) = ( 0.2232143 0.2300246 0.6967178), wk = 0.0024331 k( 409) = ( 0.2321429 0.2392256 0.6967178), wk = 0.0024331 k( 410) = ( 0.2410714 0.2484266 0.6967178), wk = 0.0024331 k( 411) = ( 0.2500000 0.2576276 0.6967178), wk = 0.0024331 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0024331 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0024331 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0024331 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0024331 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0024331 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024331 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0024331 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0024331 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024331 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0024331 k( 12) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0024331 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024331 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0024331 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0024331 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0024331 k( 17) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0024331 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0024331 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024331 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0024331 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0024331 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0024331 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0024331 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0024331 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024331 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0024331 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0024331 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024331 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0024331 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0024331 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024331 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0024331 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0024331 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0024331 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0024331 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0024331 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024331 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0024331 k( 39) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0024331 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0024331 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0024331 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0024331 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024331 k( 44) = ( 0.0000000 0.0000000 0.3981481), wk = 0.0024331 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0024331 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024331 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0024331 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0024331 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024331 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0024331 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0024331 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0024331 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0024331 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0024331 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 57) = ( -0.0091547 0.0091547 0.5000000), wk = 0.0024331 k( 58) = ( -0.0183095 0.0183095 0.5000000), wk = 0.0024331 k( 59) = ( -0.0274643 0.0274643 0.5000000), wk = 0.0024331 k( 60) = ( -0.0366190 0.0366190 0.5000000), wk = 0.0024331 k( 61) = ( -0.0457738 0.0457738 0.5000000), wk = 0.0024331 k( 62) = ( -0.0549285 0.0549285 0.5000000), wk = 0.0024331 k( 63) = ( -0.0640833 0.0640833 0.5000000), wk = 0.0024331 k( 64) = ( -0.0732380 0.0732380 0.5000000), wk = 0.0024331 k( 65) = ( -0.0823928 0.0823928 0.5000000), wk = 0.0024331 k( 66) = ( -0.0915475 0.0915475 0.5000000), wk = 0.0024331 k( 67) = ( -0.1007023 0.1007023 0.5000000), wk = 0.0024331 k( 68) = ( -0.1098570 0.1098570 0.5000000), wk = 0.0024331 k( 69) = ( -0.1190118 0.1190118 0.5000000), wk = 0.0024331 k( 70) = ( -0.1281665 0.1281666 0.5000000), wk = 0.0024331 k( 71) = ( -0.1373213 0.1373213 0.5000000), wk = 0.0024331 k( 72) = ( -0.1464760 0.1464761 0.5000000), wk = 0.0024331 k( 73) = ( -0.1556308 0.1556308 0.5000000), wk = 0.0024331 k( 74) = ( -0.1647856 0.1647856 0.5000000), wk = 0.0024331 k( 75) = ( -0.1739403 0.1739403 0.5000000), wk = 0.0024331 k( 76) = ( -0.1830951 0.1830951 0.5000000), wk = 0.0024331 k( 77) = ( -0.1922498 0.1922498 0.5000000), wk = 0.0024331 k( 78) = ( -0.2014046 0.2014046 0.5000000), wk = 0.0024331 k( 79) = ( -0.2105593 0.2105593 0.5000000), wk = 0.0024331 k( 80) = ( -0.2197141 0.2197141 0.5000000), wk = 0.0024331 k( 81) = ( -0.2288688 0.2288688 0.5000000), wk = 0.0024331 k( 82) = ( -0.2380236 0.2380236 0.5000000), wk = 0.0024331 k( 83) = ( -0.2471783 0.2471783 0.5000000), wk = 0.0024331 k( 84) = ( -0.2563331 0.2563331 0.5000000), wk = 0.0024331 k( 85) = ( -0.2654879 0.2654879 0.5000000), wk = 0.0024331 k( 86) = ( -0.2654879 0.2654879 0.5000000), wk = 0.0024331 k( 87) = ( -0.2720021 0.2720021 0.4934858), wk = 0.0024331 k( 88) = ( -0.2785163 0.2785163 0.4869715), wk = 0.0024331 k( 89) = ( -0.2850305 0.2850305 0.4804573), wk = 0.0024331 k( 90) = ( -0.2915448 0.2915448 0.4739431), wk = 0.0024331 k( 91) = ( -0.2980590 0.2980590 0.4674289), wk = 0.0024331 k( 92) = ( -0.3045732 0.3045732 0.4609146), wk = 0.0024331 k( 93) = ( -0.3110874 0.3110874 0.4544004), wk = 0.0024331 k( 94) = ( -0.3176017 0.3176017 0.4478862), wk = 0.0024331 k( 95) = ( -0.3241159 0.3241159 0.4413720), wk = 0.0024331 k( 96) = ( -0.3306301 0.3306301 0.4348577), wk = 0.0024331 k( 97) = ( -0.3371443 0.3371443 0.4283435), wk = 0.0024331 k( 98) = ( -0.3436586 0.3436586 0.4218293), wk = 0.0024331 k( 99) = ( -0.3501728 0.3501728 0.4153151), wk = 0.0024331 k( 100) = ( -0.3566870 0.3566870 0.4088008), wk = 0.0024331 k( 101) = ( -0.3632012 0.3632012 0.4022866), wk = 0.0024331 k( 102) = ( -0.3697155 0.3697155 0.3957724), wk = 0.0024331 k( 103) = ( -0.3762297 0.3762297 0.3892582), wk = 0.0024331 k( 104) = ( -0.3827439 0.3827439 0.3827439), wk = 0.0024331 k( 105) = ( -0.3827439 0.3827439 0.3827439), wk = 0.0024331 k( 106) = ( -0.3761449 0.3761449 0.3761449), wk = 0.0024331 k( 107) = ( -0.3695459 0.3695459 0.3695459), wk = 0.0024331 k( 108) = ( -0.3629468 0.3629468 0.3629468), wk = 0.0024331 k( 109) = ( -0.3563478 0.3563478 0.3563478), wk = 0.0024331 k( 110) = ( -0.3497488 0.3497488 0.3497488), wk = 0.0024331 k( 111) = ( -0.3431497 0.3431497 0.3431497), wk = 0.0024331 k( 112) = ( -0.3365507 0.3365507 0.3365507), wk = 0.0024331 k( 113) = ( -0.3299517 0.3299517 0.3299517), wk = 0.0024331 k( 114) = ( -0.3233526 0.3233526 0.3233526), wk = 0.0024331 k( 115) = ( -0.3167536 0.3167536 0.3167536), wk = 0.0024331 k( 116) = ( -0.3101546 0.3101546 0.3101546), wk = 0.0024331 k( 117) = ( -0.3035555 0.3035555 0.3035555), wk = 0.0024331 k( 118) = ( -0.2969565 0.2969565 0.2969565), wk = 0.0024331 k( 119) = ( -0.2903575 0.2903575 0.2903575), wk = 0.0024331 k( 120) = ( -0.2837584 0.2837584 0.2837584), wk = 0.0024331 k( 121) = ( -0.2771594 0.2771594 0.2771594), wk = 0.0024331 k( 122) = ( -0.2705604 0.2705604 0.2705604), wk = 0.0024331 k( 123) = ( -0.2639613 0.2639613 0.2639613), wk = 0.0024331 k( 124) = ( -0.2573623 0.2573623 0.2573623), wk = 0.0024331 k( 125) = ( -0.2507633 0.2507633 0.2507633), wk = 0.0024331 k( 126) = ( -0.2441642 0.2441642 0.2441642), wk = 0.0024331 k( 127) = ( -0.2375652 0.2375652 0.2375652), wk = 0.0024331 k( 128) = ( -0.2309662 0.2309662 0.2309662), wk = 0.0024331 k( 129) = ( -0.2243671 0.2243671 0.2243671), wk = 0.0024331 k( 130) = ( -0.2177681 0.2177681 0.2177681), wk = 0.0024331 k( 131) = ( -0.2111691 0.2111691 0.2111691), wk = 0.0024331 k( 132) = ( -0.2045700 0.2045700 0.2045700), wk = 0.0024331 k( 133) = ( -0.1979710 0.1979710 0.1979710), wk = 0.0024331 k( 134) = ( -0.1913720 0.1913720 0.1913720), wk = 0.0024331 k( 135) = ( -0.1847729 0.1847729 0.1847729), wk = 0.0024331 k( 136) = ( -0.1781739 0.1781739 0.1781739), wk = 0.0024331 k( 137) = ( -0.1715749 0.1715749 0.1715749), wk = 0.0024331 k( 138) = ( -0.1649758 0.1649758 0.1649758), wk = 0.0024331 k( 139) = ( -0.1583768 0.1583768 0.1583768), wk = 0.0024331 k( 140) = ( -0.1517778 0.1517778 0.1517778), wk = 0.0024331 k( 141) = ( -0.1451787 0.1451787 0.1451787), wk = 0.0024331 k( 142) = ( -0.1385797 0.1385797 0.1385797), wk = 0.0024331 k( 143) = ( -0.1319807 0.1319807 0.1319807), wk = 0.0024331 k( 144) = ( -0.1253816 0.1253816 0.1253816), wk = 0.0024331 k( 145) = ( -0.1187826 0.1187826 0.1187826), wk = 0.0024331 k( 146) = ( -0.1121836 0.1121836 0.1121836), wk = 0.0024331 k( 147) = ( -0.1055845 0.1055845 0.1055845), wk = 0.0024331 k( 148) = ( -0.0989855 0.0989855 0.0989855), wk = 0.0024331 k( 149) = ( -0.0923865 0.0923865 0.0923865), wk = 0.0024331 k( 150) = ( -0.0857874 0.0857874 0.0857874), wk = 0.0024331 k( 151) = ( -0.0791884 0.0791884 0.0791884), wk = 0.0024331 k( 152) = ( -0.0725894 0.0725894 0.0725894), wk = 0.0024331 k( 153) = ( -0.0659903 0.0659903 0.0659903), wk = 0.0024331 k( 154) = ( -0.0593913 0.0593913 0.0593913), wk = 0.0024331 k( 155) = ( -0.0527923 0.0527923 0.0527923), wk = 0.0024331 k( 156) = ( -0.0461932 0.0461932 0.0461932), wk = 0.0024331 k( 157) = ( -0.0395942 0.0395942 0.0395942), wk = 0.0024331 k( 158) = ( -0.0329952 0.0329952 0.0329952), wk = 0.0024331 k( 159) = ( -0.0263961 0.0263961 0.0263961), wk = 0.0024331 k( 160) = ( -0.0197971 0.0197971 0.0197971), wk = 0.0024331 k( 161) = ( -0.0131981 0.0131981 0.0131981), wk = 0.0024331 k( 162) = ( -0.0065990 0.0065990 0.0065990), wk = 0.0024331 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 165) = ( 0.0089286 0.0089286 -0.0089286), wk = 0.0024331 k( 166) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0024331 k( 167) = ( 0.0267857 0.0267857 -0.0267857), wk = 0.0024331 k( 168) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0024331 k( 169) = ( 0.0446429 0.0446429 -0.0446429), wk = 0.0024331 k( 170) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0024331 k( 171) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0024331 k( 172) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0024331 k( 173) = ( 0.0803571 0.0803571 -0.0803571), wk = 0.0024331 k( 174) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0024331 k( 175) = ( 0.0982143 0.0982143 -0.0982143), wk = 0.0024331 k( 176) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0024331 k( 177) = ( 0.1160714 0.1160714 -0.1160714), wk = 0.0024331 k( 178) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0024331 k( 179) = ( 0.1339286 0.1339286 -0.1339286), wk = 0.0024331 k( 180) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0024331 k( 181) = ( 0.1517857 0.1517857 -0.1517857), wk = 0.0024331 k( 182) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0024331 k( 183) = ( 0.1696429 0.1696429 -0.1696429), wk = 0.0024331 k( 184) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0024331 k( 185) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0024331 k( 186) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0024331 k( 187) = ( 0.2053571 0.2053571 -0.2053571), wk = 0.0024331 k( 188) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0024331 k( 189) = ( 0.2232143 0.2232143 -0.2232143), wk = 0.0024331 k( 190) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0024331 k( 191) = ( 0.2410714 0.2410714 -0.2410714), wk = 0.0024331 k( 192) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024331 k( 193) = ( 0.2589286 0.2589286 -0.2589286), wk = 0.0024331 k( 194) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0024331 k( 195) = ( 0.2767857 0.2767857 -0.2767857), wk = 0.0024331 k( 196) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0024331 k( 197) = ( 0.2946429 0.2946429 -0.2946429), wk = 0.0024331 k( 198) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0024331 k( 199) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0024331 k( 200) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0024331 k( 201) = ( 0.3303571 0.3303571 -0.3303571), wk = 0.0024331 k( 202) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0024331 k( 203) = ( 0.3482143 0.3482143 -0.3482143), wk = 0.0024331 k( 204) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0024331 k( 205) = ( 0.3660714 0.3660714 -0.3660714), wk = 0.0024331 k( 206) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0024331 k( 207) = ( 0.3839286 0.3839286 -0.3839286), wk = 0.0024331 k( 208) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0024331 k( 209) = ( 0.4017857 0.4017857 -0.4017857), wk = 0.0024331 k( 210) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0024331 k( 211) = ( 0.4196429 0.4196429 -0.4196429), wk = 0.0024331 k( 212) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0024331 k( 213) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0024331 k( 214) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0024331 k( 215) = ( 0.4553571 0.4553571 -0.4553571), wk = 0.0024331 k( 216) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0024331 k( 217) = ( 0.4732143 0.4732143 -0.4732143), wk = 0.0024331 k( 218) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0024331 k( 219) = ( 0.4910714 0.4910714 -0.4910714), wk = 0.0024331 k( 220) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024331 k( 221) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024331 k( 222) = ( 0.4934858 0.5065142 -0.4934858), wk = 0.0024331 k( 223) = ( 0.4869715 0.5130285 -0.4869716), wk = 0.0024331 k( 224) = ( 0.4804573 0.5195427 -0.4804573), wk = 0.0024331 k( 225) = ( 0.4739431 0.5260569 -0.4739431), wk = 0.0024331 k( 226) = ( 0.4674289 0.5325711 -0.4674289), wk = 0.0024331 k( 227) = ( 0.4609146 0.5390854 -0.4609146), wk = 0.0024331 k( 228) = ( 0.4544004 0.5455996 -0.4544004), wk = 0.0024331 k( 229) = ( 0.4478862 0.5521138 -0.4478862), wk = 0.0024331 k( 230) = ( 0.4413720 0.5586280 -0.4413720), wk = 0.0024331 k( 231) = ( 0.4348577 0.5651423 -0.4348577), wk = 0.0024331 k( 232) = ( 0.4283435 0.5716565 -0.4283435), wk = 0.0024331 k( 233) = ( 0.4218293 0.5781707 -0.4218293), wk = 0.0024331 k( 234) = ( 0.4153151 0.5846849 -0.4153151), wk = 0.0024331 k( 235) = ( 0.4088008 0.5911992 -0.4088008), wk = 0.0024331 k( 236) = ( 0.4022866 0.5977134 -0.4022866), wk = 0.0024331 k( 237) = ( 0.3957724 0.6042276 -0.3957724), wk = 0.0024331 k( 238) = ( 0.3892582 0.6107419 -0.3892582), wk = 0.0024331 k( 239) = ( 0.3827439 0.6172561 -0.3827439), wk = 0.0024331 k( 240) = ( 0.3827439 0.6172561 -0.3827439), wk = 0.0024331 k( 241) = ( 0.3718084 0.6139059 -0.3718084), wk = 0.0024331 k( 242) = ( 0.3608728 0.6105557 -0.3608728), wk = 0.0024331 k( 243) = ( 0.3499373 0.6072056 -0.3499373), wk = 0.0024331 k( 244) = ( 0.3390018 0.6038554 -0.3390018), wk = 0.0024331 k( 245) = ( 0.3280662 0.6005052 -0.3280662), wk = 0.0024331 k( 246) = ( 0.3171307 0.5971550 -0.3171307), wk = 0.0024331 k( 247) = ( 0.3061951 0.5938049 -0.3061951), wk = 0.0024331 k( 248) = ( 0.2952596 0.5904547 -0.2952596), wk = 0.0024331 k( 249) = ( 0.2843241 0.5871045 -0.2843241), wk = 0.0024331 k( 250) = ( 0.2733885 0.5837543 -0.2733885), wk = 0.0024331 k( 251) = ( 0.2624530 0.5804042 -0.2624530), wk = 0.0024331 k( 252) = ( 0.2515174 0.5770540 -0.2515174), wk = 0.0024331 k( 253) = ( 0.2405819 0.5737038 -0.2405819), wk = 0.0024331 k( 254) = ( 0.2296463 0.5703537 -0.2296463), wk = 0.0024331 k( 255) = ( 0.2187108 0.5670035 -0.2187108), wk = 0.0024331 k( 256) = ( 0.2077753 0.5636533 -0.2077753), wk = 0.0024331 k( 257) = ( 0.1968397 0.5603031 -0.1968397), wk = 0.0024331 k( 258) = ( 0.1859042 0.5569530 -0.1859042), wk = 0.0024331 k( 259) = ( 0.1749687 0.5536028 -0.1749687), wk = 0.0024331 k( 260) = ( 0.1640331 0.5502526 -0.1640331), wk = 0.0024331 k( 261) = ( 0.1530976 0.5469024 -0.1530976), wk = 0.0024331 k( 262) = ( 0.1421620 0.5435523 -0.1421620), wk = 0.0024331 k( 263) = ( 0.1312265 0.5402021 -0.1312265), wk = 0.0024331 k( 264) = ( 0.1202909 0.5368519 -0.1202909), wk = 0.0024331 k( 265) = ( 0.1093554 0.5335017 -0.1093554), wk = 0.0024331 k( 266) = ( 0.0984199 0.5301516 -0.0984199), wk = 0.0024331 k( 267) = ( 0.0874843 0.5268014 -0.0874843), wk = 0.0024331 k( 268) = ( 0.0765488 0.5234512 -0.0765488), wk = 0.0024331 k( 269) = ( 0.0656132 0.5201010 -0.0656132), wk = 0.0024331 k( 270) = ( 0.0546777 0.5167509 -0.0546777), wk = 0.0024331 k( 271) = ( 0.0437422 0.5134007 -0.0437422), wk = 0.0024331 k( 272) = ( 0.0328066 0.5100505 -0.0328066), wk = 0.0024331 k( 273) = ( 0.0218711 0.5067004 -0.0218711), wk = 0.0024331 k( 274) = ( 0.0109355 0.5033502 -0.0109355), wk = 0.0024331 k( 275) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024331 k( 276) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024331 k( 277) = ( 0.0065790 0.4934211 0.0065790), wk = 0.0024331 k( 278) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0024331 k( 279) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0024331 k( 280) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0024331 k( 281) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0024331 k( 282) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0024331 k( 283) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0024331 k( 284) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0024331 k( 285) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0024331 k( 286) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0024331 k( 287) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0024331 k( 288) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0024331 k( 289) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0024331 k( 290) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0024331 k( 291) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0024331 k( 292) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0024331 k( 293) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0024331 k( 294) = ( 0.1184210 0.3815789 0.1184211), wk = 0.0024331 k( 295) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024331 k( 296) = ( 0.1315790 0.3684211 0.1315790), wk = 0.0024331 k( 297) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0024331 k( 298) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0024331 k( 299) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0024331 k( 300) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0024331 k( 301) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0024331 k( 302) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0024331 k( 303) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0024331 k( 304) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0024331 k( 305) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0024331 k( 306) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0024331 k( 307) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0024331 k( 308) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0024331 k( 309) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0024331 k( 310) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0024331 k( 311) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0024331 k( 312) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0024331 k( 313) = ( 0.2434210 0.2565790 0.2434210), wk = 0.0024331 k( 314) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024331 k( 315) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024331 k( 316) = ( 0.2562500 0.2562500 0.2371128), wk = 0.0024331 k( 317) = ( 0.2625000 0.2625000 0.2242256), wk = 0.0024331 k( 318) = ( 0.2687500 0.2687500 0.2113384), wk = 0.0024331 k( 319) = ( 0.2750000 0.2750000 0.1984512), wk = 0.0024331 k( 320) = ( 0.2812500 0.2812500 0.1855640), wk = 0.0024331 k( 321) = ( 0.2875000 0.2875000 0.1726768), wk = 0.0024331 k( 322) = ( 0.2937500 0.2937500 0.1597896), wk = 0.0024331 k( 323) = ( 0.3000000 0.3000000 0.1469024), wk = 0.0024331 k( 324) = ( 0.3062500 0.3062500 0.1340152), wk = 0.0024331 k( 325) = ( 0.3125000 0.3125000 0.1211280), wk = 0.0024331 k( 326) = ( 0.3187500 0.3187500 0.1082408), wk = 0.0024331 k( 327) = ( 0.3250000 0.3250000 0.0953537), wk = 0.0024331 k( 328) = ( 0.3312500 0.3312500 0.0824664), wk = 0.0024331 k( 329) = ( 0.3375000 0.3375000 0.0695792), wk = 0.0024331 k( 330) = ( 0.3437500 0.3437500 0.0566921), wk = 0.0024331 k( 331) = ( 0.3500000 0.3500000 0.0438049), wk = 0.0024331 k( 332) = ( 0.3562500 0.3562500 0.0309177), wk = 0.0024331 k( 333) = ( 0.3625000 0.3625000 0.0180305), wk = 0.0024331 k( 334) = ( 0.3687500 0.3687500 0.0051433), wk = 0.0024331 k( 335) = ( 0.3750000 0.3750000 -0.0077439), wk = 0.0024331 k( 336) = ( 0.3812500 0.3812500 -0.0206311), wk = 0.0024331 k( 337) = ( 0.3875000 0.3875000 -0.0335183), wk = 0.0024331 k( 338) = ( 0.3937500 0.3937500 -0.0464055), wk = 0.0024331 k( 339) = ( 0.4000000 0.4000000 -0.0592927), wk = 0.0024331 k( 340) = ( 0.4062500 0.4062500 -0.0721799), wk = 0.0024331 k( 341) = ( 0.4125000 0.4125000 -0.0850671), wk = 0.0024331 k( 342) = ( 0.4187500 0.4187500 -0.0979543), wk = 0.0024331 k( 343) = ( 0.4250000 0.4250000 -0.1108415), wk = 0.0024331 k( 344) = ( 0.4312500 0.4312500 -0.1237287), wk = 0.0024331 k( 345) = ( 0.4375000 0.4375000 -0.1366159), wk = 0.0024331 k( 346) = ( 0.4437500 0.4437500 -0.1495031), wk = 0.0024331 k( 347) = ( 0.4500000 0.4500000 -0.1623903), wk = 0.0024331 k( 348) = ( 0.4562500 0.4562500 -0.1752775), wk = 0.0024331 k( 349) = ( 0.4625000 0.4625000 -0.1881647), wk = 0.0024331 k( 350) = ( 0.4687500 0.4687500 -0.2010519), wk = 0.0024331 k( 351) = ( 0.4750000 0.4750000 -0.2139391), wk = 0.0024331 k( 352) = ( 0.4812500 0.4812500 -0.2268263), wk = 0.0024331 k( 353) = ( 0.4875000 0.4875000 -0.2397135), wk = 0.0024331 k( 354) = ( 0.4937500 0.4937500 -0.2526007), wk = 0.0024331 k( 355) = ( 0.5000000 0.5000000 -0.2654879), wk = 0.0024331 k( 356) = ( 0.5000000 0.5000000 -0.2654879), wk = 0.0024331 k( 357) = ( 0.5000000 0.5000000 -0.2745076), wk = 0.0024331 k( 358) = ( 0.5000000 0.5000000 -0.2835272), wk = 0.0024331 k( 359) = ( 0.5000000 0.5000000 -0.2925469), wk = 0.0024331 k( 360) = ( 0.5000000 0.5000000 -0.3015666), wk = 0.0024331 k( 361) = ( 0.5000000 0.5000000 -0.3105863), wk = 0.0024331 k( 362) = ( 0.5000000 0.5000000 -0.3196060), wk = 0.0024331 k( 363) = ( 0.5000000 0.5000000 -0.3286257), wk = 0.0024331 k( 364) = ( 0.5000000 0.5000000 -0.3376454), wk = 0.0024331 k( 365) = ( 0.5000000 0.5000000 -0.3466651), wk = 0.0024331 k( 366) = ( 0.5000000 0.5000000 -0.3556848), wk = 0.0024331 k( 367) = ( 0.5000000 0.5000000 -0.3647045), wk = 0.0024331 k( 368) = ( 0.5000000 0.5000000 -0.3737242), wk = 0.0024331 k( 369) = ( 0.5000000 0.5000000 -0.3827439), wk = 0.0024331 k( 370) = ( 0.5000000 0.5000000 -0.3917636), wk = 0.0024331 k( 371) = ( 0.5000000 0.5000000 -0.4007833), wk = 0.0024331 k( 372) = ( 0.5000000 0.5000000 -0.4098030), wk = 0.0024331 k( 373) = ( 0.5000000 0.5000000 -0.4188227), wk = 0.0024331 k( 374) = ( 0.5000000 0.5000000 -0.4278424), wk = 0.0024331 k( 375) = ( 0.5000000 0.5000000 -0.4368621), wk = 0.0024331 k( 376) = ( 0.5000000 0.5000000 -0.4458818), wk = 0.0024331 k( 377) = ( 0.5000000 0.5000000 -0.4549015), wk = 0.0024331 k( 378) = ( 0.5000000 0.5000000 -0.4639212), wk = 0.0024331 k( 379) = ( 0.5000000 0.5000000 -0.4729409), wk = 0.0024331 k( 380) = ( 0.5000000 0.5000000 -0.4819606), wk = 0.0024331 k( 381) = ( 0.5000000 0.5000000 -0.4909803), wk = 0.0024331 k( 382) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024331 k( 383) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 384) = ( 0.0089286 0.0089286 0.4910714), wk = 0.0024331 k( 385) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0024331 k( 386) = ( 0.0267857 0.0267857 0.4732143), wk = 0.0024331 k( 387) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0024331 k( 388) = ( 0.0446429 0.0446429 0.4553571), wk = 0.0024331 k( 389) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0024331 k( 390) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0024331 k( 391) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0024331 k( 392) = ( 0.0803571 0.0803571 0.4196429), wk = 0.0024331 k( 393) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0024331 k( 394) = ( 0.0982143 0.0982143 0.4017857), wk = 0.0024331 k( 395) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0024331 k( 396) = ( 0.1160714 0.1160714 0.3839286), wk = 0.0024331 k( 397) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024331 k( 398) = ( 0.1339286 0.1339286 0.3660714), wk = 0.0024331 k( 399) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0024331 k( 400) = ( 0.1517857 0.1517857 0.3482143), wk = 0.0024331 k( 401) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0024331 k( 402) = ( 0.1696429 0.1696429 0.3303571), wk = 0.0024331 k( 403) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0024331 k( 404) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0024331 k( 405) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0024331 k( 406) = ( 0.2053571 0.2053571 0.2946429), wk = 0.0024331 k( 407) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0024331 k( 408) = ( 0.2232143 0.2232143 0.2767857), wk = 0.0024331 k( 409) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0024331 k( 410) = ( 0.2410714 0.2410714 0.2589286), wk = 0.0024331 k( 411) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024331 Dense grid: 127553 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 19313 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 110, 58) NL pseudopotentials 0.11 Mb ( 55, 136) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2657) G-vector shells 0.01 Mb ( 1232) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 110, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./MnGaNi2.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.1 secs Computing kpt #: 2 total cpu time spent up to now is 47.7 secs Computing kpt #: 3 total cpu time spent up to now is 49.1 secs Computing kpt #: 4 total cpu time spent up to now is 50.7 secs Computing kpt #: 5 total cpu time spent up to now is 52.3 secs Computing kpt #: 6 total cpu time spent up to now is 53.9 secs Computing kpt #: 7 total cpu time spent up to now is 55.5 secs Computing kpt #: 8 total cpu time spent up to now is 57.1 secs Computing kpt #: 9 total cpu time spent up to now is 58.8 secs Computing kpt #: 10 total cpu time spent up to now is 60.4 secs Computing kpt #: 11 total cpu time spent up to now is 62.2 secs Computing kpt #: 12 total cpu time spent up to now is 64.2 secs Computing kpt #: 13 total cpu time spent up to now is 66.1 secs Computing kpt #: 14 total cpu time spent up to now is 68.1 secs Computing kpt #: 15 total cpu time spent up to now is 70.0 secs Computing kpt #: 16 total cpu time spent up to now is 71.8 secs Computing kpt #: 17 total cpu time spent up to now is 73.7 secs Computing kpt #: 18 total cpu time spent up to now is 75.4 secs Computing kpt #: 19 total cpu time spent up to now is 77.4 secs Computing kpt #: 20 total cpu time spent up to now is 79.1 secs Computing kpt #: 21 total cpu time spent up to now is 80.9 secs Computing kpt #: 22 total cpu time spent up to now is 82.4 secs Computing kpt #: 23 total cpu time spent up to now is 84.0 secs Computing kpt #: 24 total cpu time spent up to now is 85.5 secs Computing kpt #: 25 total cpu time spent up to now is 87.1 secs Computing kpt #: 26 total cpu time spent up to now is 88.7 secs Computing kpt #: 27 total cpu time spent up to now is 90.3 secs Computing kpt #: 28 total cpu time spent up to now is 91.8 secs Computing kpt #: 29 total cpu time spent up to now is 93.3 secs Computing kpt #: 30 total cpu time spent up to now is 94.9 secs Computing kpt #: 31 total cpu time spent up to now is 96.5 secs Computing kpt #: 32 total cpu time spent up to now is 98.0 secs Computing kpt #: 33 total cpu time spent up to now is 99.6 secs Computing kpt #: 34 total cpu time spent up to now is 101.1 secs Computing kpt #: 35 total cpu time spent up to now is 102.5 secs Computing kpt #: 36 total cpu time spent up to now is 104.0 secs Computing kpt #: 37 total cpu time spent up to now is 105.5 secs Computing kpt #: 38 total cpu time spent up to now is 107.1 secs Computing kpt #: 39 total cpu time spent up to now is 108.7 secs Computing kpt #: 40 total cpu time spent up to now is 110.2 secs Computing kpt #: 41 total cpu time spent up to now is 111.8 secs Computing kpt #: 42 total cpu time spent up to now is 113.4 secs Computing kpt #: 43 total cpu time spent up to now is 115.0 secs Computing kpt #: 44 total cpu time spent up to now is 116.6 secs Computing kpt #: 45 total cpu time spent up to now is 118.1 secs Computing kpt #: 46 total cpu time spent up to now is 119.7 secs Computing kpt #: 47 total cpu time spent up to now is 121.2 secs Computing kpt #: 48 total cpu time spent up to now is 123.0 secs Computing kpt #: 49 total cpu time spent up to now is 124.4 secs Computing kpt #: 50 total cpu time spent up to now is 125.8 secs Computing kpt #: 51 total cpu time spent up to now is 127.2 secs Computing kpt #: 52 total cpu time spent up to now is 128.7 secs Computing kpt #: 53 total cpu time spent up to now is 130.2 secs Computing kpt #: 54 total cpu time spent up to now is 131.6 secs Computing kpt #: 55 total cpu time spent up to now is 133.1 secs Computing kpt #: 56 total cpu time spent up to now is 134.6 secs Computing kpt #: 57 total cpu time spent up to now is 136.1 secs Computing kpt #: 58 total cpu time spent up to now is 137.5 secs Computing kpt #: 59 total cpu time spent up to now is 139.0 secs Computing kpt #: 60 total cpu time spent up to now is 140.4 secs Computing kpt #: 61 total cpu time spent up to now is 142.0 secs Computing kpt #: 62 total cpu time spent up to now is 143.5 secs Computing kpt #: 63 total cpu time spent up to now is 145.0 secs Computing kpt #: 64 total cpu time spent up to now is 146.5 secs Computing kpt #: 65 total cpu time spent up to now is 148.1 secs Computing kpt #: 66 total cpu time spent up to now is 149.6 secs Computing kpt #: 67 total cpu time spent up to now is 151.1 secs Computing kpt #: 68 total cpu time spent up to now is 152.6 secs Computing kpt #: 69 total cpu time spent up to now is 154.2 secs Computing kpt #: 70 total cpu time spent up to now is 155.7 secs Computing kpt #: 71 total cpu time spent up to now is 157.3 secs Computing kpt #: 72 total cpu time spent up to now is 158.8 secs Computing kpt #: 73 total cpu time spent up to now is 160.4 secs Computing kpt #: 74 total cpu time spent up to now is 162.0 secs Computing kpt #: 75 total cpu time spent up to now is 163.5 secs Computing kpt #: 76 total cpu time spent up to now is 165.2 secs Computing kpt #: 77 total cpu time spent up to now is 166.9 secs Computing kpt #: 78 total cpu time spent up to now is 168.4 secs Computing kpt #: 79 total cpu time spent up to now is 170.1 secs Computing kpt #: 80 total cpu time spent up to now is 171.9 secs Computing kpt #: 81 total cpu time spent up to now is 173.8 secs Computing kpt #: 82 total cpu time spent up to now is 175.6 secs Computing kpt #: 83 total cpu time spent up to now is 177.7 secs Computing kpt #: 84 total cpu time spent up to now is 179.5 secs Computing kpt #: 85 total cpu time spent up to now is 181.2 secs Computing kpt #: 86 total cpu time spent up to now is 183.0 secs Computing kpt #: 87 total cpu time spent up to now is 185.7 secs Computing kpt #: 88 total cpu time spent up to now is 187.4 secs Computing kpt #: 89 total cpu time spent up to now is 189.0 secs Computing kpt #: 90 total cpu time spent up to now is 190.6 secs Computing kpt #: 91 total cpu time spent up to now is 192.2 secs Computing kpt #: 92 total cpu time spent up to now is 193.8 secs Computing kpt #: 93 total cpu time spent up to now is 195.6 secs Computing kpt #: 94 total cpu time spent up to now is 197.2 secs Computing kpt #: 95 total cpu time spent up to now is 198.7 secs Computing kpt #: 96 total cpu time spent up to now is 200.3 secs Computing kpt #: 97 total cpu time spent up to now is 201.7 secs Computing kpt #: 98 total cpu time spent up to now is 203.3 secs Computing kpt #: 99 total cpu time spent up to now is 204.8 secs Computing kpt #: 100 total cpu time spent up to now is 206.3 secs Computing kpt #: 101 total cpu time spent up to now is 207.7 secs Computing kpt #: 102 total cpu time spent up to now is 209.1 secs Computing kpt #: 103 total cpu time spent up to now is 210.5 secs Computing kpt #: 104 total cpu time spent up to now is 211.8 secs Computing kpt #: 105 total cpu time spent up to now is 213.2 secs Computing kpt #: 106 total cpu time spent up to now is 214.8 secs Computing kpt #: 107 total cpu time spent up to now is 216.2 secs Computing kpt #: 108 total cpu time spent up to now is 217.7 secs Computing kpt #: 109 total cpu time spent up to now is 219.1 secs Computing kpt #: 110 total cpu time spent up to now is 220.5 secs Computing kpt #: 111 total cpu time spent up to now is 221.9 secs Computing kpt #: 112 total cpu time spent up to now is 223.3 secs Computing kpt #: 113 total cpu time spent up to now is 225.1 secs Computing kpt #: 114 total cpu time spent up to now is 226.6 secs Computing kpt #: 115 total cpu time spent up to now is 228.0 secs Computing kpt #: 116 total cpu time spent up to now is 229.5 secs Computing kpt #: 117 total cpu time spent up to now is 231.1 secs Computing kpt #: 118 total cpu time spent up to now is 232.5 secs Computing kpt #: 119 total cpu time spent up to now is 233.9 secs Computing kpt #: 120 total cpu time spent up to now is 235.3 secs Computing kpt #: 121 total cpu time spent up to now is 236.6 secs Computing kpt #: 122 total cpu time spent up to now is 238.1 secs Computing kpt #: 123 total cpu time spent up to now is 239.5 secs Computing kpt #: 124 total cpu time spent up to now is 240.8 secs Computing kpt #: 125 total cpu time spent up to now is 242.2 secs Computing kpt #: 126 total cpu time spent up to now is 243.5 secs Computing kpt #: 127 total cpu time spent up to now is 245.4 secs Computing kpt #: 128 total cpu time spent up to now is 247.5 secs Computing kpt #: 129 total cpu time spent up to now is 249.4 secs Computing kpt #: 130 total cpu time spent up to now is 251.3 secs Computing kpt #: 131 total cpu time spent up to now is 252.9 secs Computing kpt #: 132 total cpu time spent up to now is 254.2 secs Computing kpt #: 133 total cpu time spent up to now is 255.7 secs Computing kpt #: 134 total cpu time spent up to now is 257.2 secs Computing kpt #: 135 total cpu time spent up to now is 258.6 secs Computing kpt #: 136 total cpu time spent up to now is 260.1 secs Computing kpt #: 137 total cpu time spent up to now is 261.5 secs Computing kpt #: 138 total cpu time spent up to now is 263.0 secs Computing kpt #: 139 total cpu time spent up to now is 264.5 secs Computing kpt #: 140 total cpu time spent up to now is 266.0 secs Computing kpt #: 141 total cpu time spent up to now is 267.5 secs Computing kpt #: 142 total cpu time spent up to now is 269.0 secs Computing kpt #: 143 total cpu time spent up to now is 270.6 secs Computing kpt #: 144 total cpu time spent up to now is 272.1 secs Computing kpt #: 145 total cpu time spent up to now is 273.7 secs Computing kpt #: 146 total cpu time spent up to now is 275.3 secs Computing kpt #: 147 total cpu time spent up to now is 277.0 secs Computing kpt #: 148 total cpu time spent up to now is 278.7 secs Computing kpt #: 149 total cpu time spent up to now is 280.4 secs Computing kpt #: 150 total cpu time spent up to now is 282.1 secs Computing kpt #: 151 total cpu time spent up to now is 283.7 secs Computing kpt #: 152 total cpu time spent up to now is 285.5 secs Computing kpt #: 153 total cpu time spent up to now is 287.2 secs Computing kpt #: 154 total cpu time spent up to now is 288.8 secs Computing kpt #: 155 total cpu time spent up to now is 290.5 secs Computing kpt #: 156 total cpu time spent up to now is 292.3 secs Computing kpt #: 157 total cpu time spent up to now is 294.0 secs Computing kpt #: 158 total cpu time spent up to now is 295.4 secs Computing kpt #: 159 total cpu time spent up to now is 296.9 secs Computing kpt #: 160 total cpu time spent up to now is 298.4 secs Computing kpt #: 161 total cpu time spent up to now is 299.9 secs Computing kpt #: 162 total cpu time spent up to now is 301.2 secs Computing kpt #: 163 total cpu time spent up to now is 302.6 secs Computing kpt #: 164 total cpu time spent up to now is 304.1 secs Computing kpt #: 165 total cpu time spent up to now is 305.5 secs Computing kpt #: 166 total cpu time spent up to now is 306.9 secs Computing kpt #: 167 total cpu time spent up to now is 308.4 secs Computing kpt #: 168 total cpu time spent up to now is 310.0 secs Computing kpt #: 169 total cpu time spent up to now is 311.5 secs Computing kpt #: 170 total cpu time spent up to now is 313.1 secs Computing kpt #: 171 total cpu time spent up to now is 314.7 secs Computing kpt #: 172 total cpu time spent up to now is 316.4 secs Computing kpt #: 173 total cpu time spent up to now is 318.2 secs Computing kpt #: 174 total cpu time spent up to now is 320.0 secs Computing kpt #: 175 total cpu time spent up to now is 322.0 secs Computing kpt #: 176 total cpu time spent up to now is 323.8 secs Computing kpt #: 177 total cpu time spent up to now is 325.6 secs Computing kpt #: 178 total cpu time spent up to now is 327.3 secs Computing kpt #: 179 total cpu time spent up to now is 329.1 secs Computing kpt #: 180 total cpu time spent up to now is 330.8 secs Computing kpt #: 181 total cpu time spent up to now is 332.6 secs Computing kpt #: 182 total cpu time spent up to now is 334.5 secs Computing kpt #: 183 total cpu time spent up to now is 336.4 secs Computing kpt #: 184 total cpu time spent up to now is 338.2 secs Computing kpt #: 185 total cpu time spent up to now is 340.0 secs Computing kpt #: 186 total cpu time spent up to now is 341.9 secs Computing kpt #: 187 total cpu time spent up to now is 344.1 secs Computing kpt #: 188 total cpu time spent up to now is 345.7 secs Computing kpt #: 189 total cpu time spent up to now is 347.5 secs Computing kpt #: 190 total cpu time spent up to now is 349.3 secs Computing kpt #: 191 total cpu time spent up to now is 351.0 secs Computing kpt #: 192 total cpu time spent up to now is 352.6 secs Computing kpt #: 193 total cpu time spent up to now is 354.2 secs Computing kpt #: 194 total cpu time spent up to now is 355.8 secs Computing kpt #: 195 total cpu time spent up to now is 357.4 secs Computing kpt #: 196 total cpu time spent up to now is 359.0 secs Computing kpt #: 197 total cpu time spent up to now is 360.5 secs Computing kpt #: 198 total cpu time spent up to now is 361.9 secs Computing kpt #: 199 total cpu time spent up to now is 363.5 secs Computing kpt #: 200 total cpu time spent up to now is 365.0 secs Computing kpt #: 201 total cpu time spent up to now is 366.5 secs Computing kpt #: 202 total cpu time spent up to now is 368.1 secs Computing kpt #: 203 total cpu time spent up to now is 369.5 secs Computing kpt #: 204 total cpu time spent up to now is 370.9 secs Computing kpt #: 205 total cpu time spent up to now is 372.4 secs Computing kpt #: 206 total cpu time spent up to now is 373.8 secs Computing kpt #: 207 total cpu time spent up to now is 375.4 secs Computing kpt #: 208 total cpu time spent up to now is 377.1 secs Computing kpt #: 209 total cpu time spent up to now is 378.6 secs Computing kpt #: 210 total cpu time spent up to now is 380.0 secs Computing kpt #: 211 total cpu time spent up to now is 381.5 secs Computing kpt #: 212 total cpu time spent up to now is 383.0 secs Computing kpt #: 213 total cpu time spent up to now is 384.4 secs Computing kpt #: 214 total cpu time spent up to now is 385.9 secs Computing kpt #: 215 total cpu time spent up to now is 387.4 secs Computing kpt #: 216 total cpu time spent up to now is 388.8 secs Computing kpt #: 217 total cpu time spent up to now is 390.3 secs Computing kpt #: 218 total cpu time spent up to now is 391.7 secs Computing kpt #: 219 total cpu time spent up to now is 393.1 secs Computing kpt #: 220 total cpu time spent up to now is 394.6 secs Computing kpt #: 221 total cpu time spent up to now is 396.0 secs Computing kpt #: 222 total cpu time spent up to now is 397.4 secs Computing kpt #: 223 total cpu time spent up to now is 399.0 secs Computing kpt #: 224 total cpu time spent up to now is 400.5 secs Computing kpt #: 225 total cpu time spent up to now is 402.0 secs Computing kpt #: 226 total cpu time spent up to now is 403.4 secs Computing kpt #: 227 total cpu time spent up to now is 404.9 secs Computing kpt #: 228 total cpu time spent up to now is 406.5 secs Computing kpt #: 229 total cpu time spent up to now is 408.1 secs Computing kpt #: 230 total cpu time spent up to now is 409.5 secs Computing kpt #: 231 total cpu time spent up to now is 410.9 secs Computing kpt #: 232 total cpu time spent up to now is 412.4 secs Computing kpt #: 233 total cpu time spent up to now is 413.9 secs Computing kpt #: 234 total cpu time spent up to now is 415.4 secs Computing kpt #: 235 total cpu time spent up to now is 416.9 secs Computing kpt #: 236 total cpu time spent up to now is 418.4 secs Computing kpt #: 237 total cpu time spent up to now is 419.8 secs Computing kpt #: 238 total cpu time spent up to now is 421.3 secs Computing kpt #: 239 total cpu time spent up to now is 422.7 secs Computing kpt #: 240 total cpu time spent up to now is 424.2 secs Computing kpt #: 241 total cpu time spent up to now is 425.7 secs Computing kpt #: 242 total cpu time spent up to now is 427.1 secs Computing kpt #: 243 total cpu time spent up to now is 428.5 secs Computing kpt #: 244 total cpu time spent up to now is 430.1 secs Computing kpt #: 245 total cpu time spent up to now is 431.5 secs Computing kpt #: 246 total cpu time spent up to now is 432.9 secs Computing kpt #: 247 total cpu time spent up to now is 434.5 secs Computing kpt #: 248 total cpu time spent up to now is 435.9 secs Computing kpt #: 249 total cpu time spent up to now is 437.3 secs Computing kpt #: 250 total cpu time spent up to now is 438.6 secs Computing kpt #: 251 total cpu time spent up to now is 440.0 secs Computing kpt #: 252 total cpu time spent up to now is 441.8 secs Computing kpt #: 253 total cpu time spent up to now is 443.3 secs Computing kpt #: 254 total cpu time spent up to now is 444.8 secs Computing kpt #: 255 total cpu time spent up to now is 446.2 secs Computing kpt #: 256 total cpu time spent up to now is 447.8 secs Computing kpt #: 257 total cpu time spent up to now is 449.2 secs Computing kpt #: 258 total cpu time spent up to now is 450.6 secs Computing kpt #: 259 total cpu time spent up to now is 451.9 secs Computing kpt #: 260 total cpu time spent up to now is 453.3 secs Computing kpt #: 261 total cpu time spent up to now is 455.1 secs Computing kpt #: 262 total cpu time spent up to now is 456.5 secs Computing kpt #: 263 total cpu time spent up to now is 457.8 secs Computing kpt #: 264 total cpu time spent up to now is 459.2 secs Computing kpt #: 265 total cpu time spent up to now is 460.8 secs Computing kpt #: 266 total cpu time spent up to now is 462.3 secs Computing kpt #: 267 total cpu time spent up to now is 463.9 secs Computing kpt #: 268 total cpu time spent up to now is 465.4 secs Computing kpt #: 269 total cpu time spent up to now is 467.0 secs Computing kpt #: 270 total cpu time spent up to now is 468.5 secs Computing kpt #: 271 total cpu time spent up to now is 470.1 secs Computing kpt #: 272 total cpu time spent up to now is 472.0 secs Computing kpt #: 273 total cpu time spent up to now is 473.9 secs Computing kpt #: 274 total cpu time spent up to now is 475.8 secs Computing kpt #: 275 total cpu time spent up to now is 477.8 secs Computing kpt #: 276 total cpu time spent up to now is 479.5 secs Computing kpt #: 277 total cpu time spent up to now is 481.2 secs Computing kpt #: 278 total cpu time spent up to now is 483.1 secs Computing kpt #: 279 total cpu time spent up to now is 484.8 secs Computing kpt #: 280 total cpu time spent up to now is 486.6 secs Computing kpt #: 281 total cpu time spent up to now is 488.5 secs Computing kpt #: 282 total cpu time spent up to now is 490.0 secs Computing kpt #: 283 total cpu time spent up to now is 491.5 secs Computing kpt #: 284 total cpu time spent up to now is 493.1 secs Computing kpt #: 285 total cpu time spent up to now is 494.9 secs Computing kpt #: 286 total cpu time spent up to now is 496.5 secs Computing kpt #: 287 total cpu time spent up to now is 498.0 secs Computing kpt #: 288 total cpu time spent up to now is 499.5 secs Computing kpt #: 289 total cpu time spent up to now is 501.0 secs Computing kpt #: 290 total cpu time spent up to now is 502.6 secs Computing kpt #: 291 total cpu time spent up to now is 504.3 secs Computing kpt #: 292 total cpu time spent up to now is 505.9 secs Computing kpt #: 293 total cpu time spent up to now is 507.6 secs Computing kpt #: 294 total cpu time spent up to now is 509.2 secs Computing kpt #: 295 total cpu time spent up to now is 510.9 secs Computing kpt #: 296 total cpu time spent up to now is 512.5 secs Computing kpt #: 297 total cpu time spent up to now is 514.2 secs Computing kpt #: 298 total cpu time spent up to now is 516.0 secs Computing kpt #: 299 total cpu time spent up to now is 517.6 secs Computing kpt #: 300 total cpu time spent up to now is 519.4 secs Computing kpt #: 301 total cpu time spent up to now is 521.2 secs Computing kpt #: 302 total cpu time spent up to now is 523.0 secs Computing kpt #: 303 total cpu time spent up to now is 524.7 secs Computing kpt #: 304 total cpu time spent up to now is 526.4 secs Computing kpt #: 305 total cpu time spent up to now is 528.3 secs Computing kpt #: 306 total cpu time spent up to now is 530.2 secs Computing kpt #: 307 total cpu time spent up to now is 532.1 secs Computing kpt #: 308 total cpu time spent up to now is 533.9 secs Computing kpt #: 309 total cpu time spent up to now is 535.6 secs Computing kpt #: 310 total cpu time spent up to now is 537.6 secs Computing kpt #: 311 total cpu time spent up to now is 539.4 secs Computing kpt #: 312 total cpu time spent up to now is 541.3 secs Computing kpt #: 313 total cpu time spent up to now is 543.1 secs Computing kpt #: 314 total cpu time spent up to now is 545.8 secs Computing kpt #: 315 total cpu time spent up to now is 548.5 secs Computing kpt #: 316 total cpu time spent up to now is 550.9 secs Computing kpt #: 317 total cpu time spent up to now is 552.7 secs Computing kpt #: 318 total cpu time spent up to now is 554.6 secs Computing kpt #: 319 total cpu time spent up to now is 556.3 secs Computing kpt #: 320 total cpu time spent up to now is 557.9 secs Computing kpt #: 321 total cpu time spent up to now is 559.4 secs Computing kpt #: 322 total cpu time spent up to now is 561.0 secs Computing kpt #: 323 total cpu time spent up to now is 562.6 secs Computing kpt #: 324 total cpu time spent up to now is 564.2 secs Computing kpt #: 325 total cpu time spent up to now is 565.7 secs Computing kpt #: 326 total cpu time spent up to now is 567.3 secs Computing kpt #: 327 total cpu time spent up to now is 568.8 secs Computing kpt #: 328 total cpu time spent up to now is 570.2 secs Computing kpt #: 329 total cpu time spent up to now is 571.6 secs Computing kpt #: 330 total cpu time spent up to now is 573.0 secs Computing kpt #: 331 total cpu time spent up to now is 574.6 secs Computing kpt #: 332 total cpu time spent up to now is 575.9 secs Computing kpt #: 333 total cpu time spent up to now is 577.4 secs Computing kpt #: 334 total cpu time spent up to now is 578.9 secs Computing kpt #: 335 total cpu time spent up to now is 580.5 secs Computing kpt #: 336 total cpu time spent up to now is 582.0 secs Computing kpt #: 337 total cpu time spent up to now is 583.4 secs Computing kpt #: 338 total cpu time spent up to now is 584.8 secs Computing kpt #: 339 total cpu time spent up to now is 586.2 secs Computing kpt #: 340 total cpu time spent up to now is 587.7 secs Computing kpt #: 341 total cpu time spent up to now is 589.2 secs Computing kpt #: 342 total cpu time spent up to now is 590.7 secs Computing kpt #: 343 total cpu time spent up to now is 592.1 secs Computing kpt #: 344 total cpu time spent up to now is 593.7 secs Computing kpt #: 345 total cpu time spent up to now is 595.2 secs Computing kpt #: 346 total cpu time spent up to now is 596.8 secs Computing kpt #: 347 total cpu time spent up to now is 598.4 secs Computing kpt #: 348 total cpu time spent up to now is 600.5 secs Computing kpt #: 349 total cpu time spent up to now is 602.2 secs Computing kpt #: 350 total cpu time spent up to now is 604.0 secs Computing kpt #: 351 total cpu time spent up to now is 605.8 secs Computing kpt #: 352 total cpu time spent up to now is 607.6 secs Computing kpt #: 353 total cpu time spent up to now is 609.4 secs Computing kpt #: 354 total cpu time spent up to now is 611.2 secs Computing kpt #: 355 total cpu time spent up to now is 613.1 secs Computing kpt #: 356 total cpu time spent up to now is 614.9 secs Computing kpt #: 357 total cpu time spent up to now is 616.6 secs Computing kpt #: 358 total cpu time spent up to now is 618.4 secs Computing kpt #: 359 total cpu time spent up to now is 620.1 secs Computing kpt #: 360 total cpu time spent up to now is 621.6 secs Computing kpt #: 361 total cpu time spent up to now is 623.2 secs Computing kpt #: 362 total cpu time spent up to now is 624.7 secs Computing kpt #: 363 total cpu time spent up to now is 626.2 secs Computing kpt #: 364 total cpu time spent up to now is 627.9 secs Computing kpt #: 365 total cpu time spent up to now is 629.4 secs Computing kpt #: 366 total cpu time spent up to now is 631.0 secs Computing kpt #: 367 total cpu time spent up to now is 632.5 secs Computing kpt #: 368 total cpu time spent up to now is 634.1 secs Computing kpt #: 369 total cpu time spent up to now is 635.7 secs Computing kpt #: 370 total cpu time spent up to now is 637.3 secs Computing kpt #: 371 total cpu time spent up to now is 638.8 secs Computing kpt #: 372 total cpu time spent up to now is 640.3 secs Computing kpt #: 373 total cpu time spent up to now is 641.7 secs Computing kpt #: 374 total cpu time spent up to now is 643.2 secs Computing kpt #: 375 total cpu time spent up to now is 644.8 secs Computing kpt #: 376 total cpu time spent up to now is 646.4 secs Computing kpt #: 377 total cpu time spent up to now is 648.1 secs Computing kpt #: 378 total cpu time spent up to now is 649.6 secs Computing kpt #: 379 total cpu time spent up to now is 651.0 secs Computing kpt #: 380 total cpu time spent up to now is 652.5 secs Computing kpt #: 381 total cpu time spent up to now is 653.9 secs Computing kpt #: 382 total cpu time spent up to now is 655.4 secs Computing kpt #: 383 total cpu time spent up to now is 656.9 secs Computing kpt #: 384 total cpu time spent up to now is 658.4 secs Computing kpt #: 385 total cpu time spent up to now is 659.9 secs Computing kpt #: 386 total cpu time spent up to now is 661.4 secs Computing kpt #: 387 total cpu time spent up to now is 662.8 secs Computing kpt #: 388 total cpu time spent up to now is 664.3 secs Computing kpt #: 389 total cpu time spent up to now is 665.8 secs Computing kpt #: 390 total cpu time spent up to now is 667.3 secs Computing kpt #: 391 total cpu time spent up to now is 668.8 secs Computing kpt #: 392 total cpu time spent up to now is 670.3 secs Computing kpt #: 393 total cpu time spent up to now is 671.8 secs Computing kpt #: 394 total cpu time spent up to now is 673.3 secs Computing kpt #: 395 total cpu time spent up to now is 674.9 secs Computing kpt #: 396 total cpu time spent up to now is 676.6 secs Computing kpt #: 397 total cpu time spent up to now is 678.1 secs Computing kpt #: 398 total cpu time spent up to now is 679.6 secs Computing kpt #: 399 total cpu time spent up to now is 681.2 secs Computing kpt #: 400 total cpu time spent up to now is 682.7 secs Computing kpt #: 401 total cpu time spent up to now is 684.2 secs Computing kpt #: 402 total cpu time spent up to now is 685.8 secs Computing kpt #: 403 total cpu time spent up to now is 687.4 secs Computing kpt #: 404 total cpu time spent up to now is 689.0 secs Computing kpt #: 405 total cpu time spent up to now is 690.6 secs Computing kpt #: 406 total cpu time spent up to now is 692.2 secs Computing kpt #: 407 total cpu time spent up to now is 694.0 secs Computing kpt #: 408 total cpu time spent up to now is 695.8 secs Computing kpt #: 409 total cpu time spent up to now is 697.5 secs Computing kpt #: 410 total cpu time spent up to now is 699.4 secs Computing kpt #: 411 total cpu time spent up to now is 701.4 secs ethr = 2.08E-11, avg # of iterations = 19.8 total cpu time spent up to now is 701.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2397 PWs) bands (ev): -64.8603 -64.8603 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5583 -0.5583 -0.5552 -0.5552 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 3.9888 3.9888 10.9223 10.9223 10.9414 10.9414 10.9925 10.9925 11.0726 11.0726 11.1231 11.1231 12.2136 12.2136 12.2718 12.2718 12.3231 12.3231 13.4901 13.4901 13.5300 13.5300 13.5514 13.5514 13.5706 13.5706 13.6380 13.6380 14.3957 14.3957 14.4585 14.4585 18.8795 18.8795 19.0118 19.0118 19.0133 19.0133 19.0755 19.0755 k = 0.0000 0.0000 0.0129 ( 2401 PWs) bands (ev): -64.8603 -64.8603 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5583 -0.5583 -0.5552 -0.5552 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 3.9903 3.9903 10.9192 10.9192 10.9397 10.9397 10.9923 10.9923 11.0764 11.0764 11.1246 11.1246 12.2137 12.2137 12.2714 12.2714 12.3227 12.3227 13.4795 13.4795 13.5321 13.5321 13.5498 13.5498 13.5761 13.5761 13.6394 13.6394 14.3953 14.3953 14.4582 14.4582 18.8365 18.8365 18.9523 18.9523 19.0589 19.0589 19.1218 19.1218 k = 0.0000 0.0000 0.0258 ( 2405 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5583 -0.5583 -0.5552 -0.5552 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 3.9949 3.9949 10.9073 10.9073 10.9380 10.9380 10.9924 10.9924 11.0854 11.0854 11.1296 11.1296 12.2143 12.2143 12.2702 12.2702 12.3216 12.3216 13.4565 13.4565 13.5330 13.5330 13.5472 13.5472 13.5855 13.5855 13.6456 13.6456 14.3942 14.3942 14.4574 14.4574 18.7420 18.7420 18.9235 18.9235 19.0375 19.0375 19.2340 19.2340 k = 0.0000 0.0000 0.0387 ( 2409 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5582 -0.5582 -0.5552 -0.5552 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 4.0025 4.0025 10.8865 10.8865 10.9392 10.9392 10.9939 10.9939 11.0955 11.0955 11.1388 11.1388 12.2152 12.2152 12.2680 12.2680 12.3200 12.3200 13.4289 13.4289 13.5300 13.5300 13.5452 13.5452 13.5895 13.5895 13.6589 13.6589 14.3923 14.3923 14.4562 14.4562 18.6377 18.6377 18.8936 18.8936 19.0002 19.0002 19.3527 19.3527 k = 0.0000 0.0000 0.0516 ( 2417 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2015 -33.2015 -0.5582 -0.5582 -0.5552 -0.5552 -0.1153 -0.1153 -0.0948 -0.0948 -0.0915 -0.0915 4.0131 4.0131 10.8598 10.8598 10.9423 10.9423 10.9969 10.9969 11.1044 11.1044 11.1521 11.1521 12.2163 12.2163 12.2643 12.2643 12.3183 12.3183 13.3995 13.3995 13.5233 13.5233 13.5440 13.5440 13.5866 13.5866 13.6783 13.6783 14.3898 14.3898 14.4543 14.4543 18.5327 18.5327 18.8550 18.8550 18.9499 18.9499 19.4737 19.4737 k = 0.0000 0.0000 0.0645 ( 2419 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5581 -0.5581 -0.5551 -0.5551 -0.1152 -0.1152 -0.0948 -0.0948 -0.0915 -0.0915 4.0268 4.0268 10.8293 10.8293 10.9467 10.9467 11.0012 11.0012 11.1120 11.1120 11.1684 11.1684 12.2175 12.2175 12.2589 12.2589 12.3171 12.3171 13.3694 13.3694 13.5136 13.5136 13.5430 13.5430 13.5787 13.5787 13.7005 13.7005 14.3865 14.3865 14.4521 14.4521 18.4291 18.4291 18.8063 18.8063 18.8885 18.8885 19.5954 19.5954 k = 0.0000 0.0000 0.0774 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5579 -0.5579 -0.5551 -0.5551 -0.1151 -0.1151 -0.0946 -0.0946 -0.0914 -0.0914 4.0435 4.0435 10.7959 10.7959 10.9524 10.9524 11.0067 11.0067 11.1191 11.1191 11.1862 11.1862 12.2182 12.2182 12.2518 12.2518 12.3166 12.3166 13.3391 13.3391 13.5014 13.5014 13.5419 13.5419 13.5676 13.5676 13.7234 13.7234 14.3824 14.3824 14.4494 14.4494 18.3274 18.3274 18.7473 18.7473 18.8180 18.8180 19.7160 19.7160 k = 0.0000 0.0000 0.0903 ( 2419 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5578 -0.5578 -0.5550 -0.5550 -0.1150 -0.1150 -0.0945 -0.0945 -0.0912 -0.0912 4.0632 4.0632 10.7601 10.7601 10.9592 10.9592 11.0133 11.0133 11.1264 11.1264 11.2045 11.2045 12.2170 12.2170 12.2442 12.2442 12.3171 12.3171 13.3093 13.3093 13.4869 13.4869 13.5392 13.5392 13.5553 13.5553 13.7461 13.7461 14.3775 14.3775 14.4464 14.4464 18.2276 18.2276 18.6784 18.6784 18.7401 18.7401 19.8335 19.8335 k = 0.0000 0.0000 0.1032 ( 2419 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5576 -0.5576 -0.5549 -0.5549 -0.1148 -0.1148 -0.0943 -0.0943 -0.0911 -0.0911 4.0860 4.0860 10.7223 10.7223 10.9670 10.9670 11.0210 11.0210 11.1343 11.1343 11.2229 11.2229 12.2103 12.2103 12.2397 12.2397 12.3186 12.3186 13.2801 13.2801 13.4704 13.4704 13.5299 13.5299 13.5470 13.5470 13.7681 13.7681 14.3718 14.3718 14.4430 14.4430 18.1297 18.1297 18.6001 18.6001 18.6561 18.6561 19.9443 19.9443 k = 0.0000 0.0000 0.1161 ( 2421 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5575 -0.5575 -0.5548 -0.5548 -0.1147 -0.1147 -0.0942 -0.0942 -0.0909 -0.0909 4.1117 4.1117 10.6826 10.6826 10.9759 10.9759 11.0298 11.0298 11.1427 11.1427 11.2410 11.2410 12.1965 12.1965 12.2398 12.2398 12.3211 12.3211 13.2519 13.2519 13.4518 13.4518 13.5129 13.5129 13.5443 13.5443 13.7891 13.7891 14.3652 14.3652 14.4392 14.4392 18.0333 18.0333 18.5136 18.5136 18.5671 18.5671 20.0438 20.0438 k = 0.0000 0.0000 0.1290 ( 2431 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2098 -33.2098 -33.2016 -33.2016 -0.5573 -0.5573 -0.5547 -0.5547 -0.1145 -0.1145 -0.0940 -0.0940 -0.0908 -0.0908 4.1404 4.1404 10.6412 10.6412 10.9859 10.9859 11.0396 11.0396 11.1519 11.1519 11.2588 11.2588 12.1775 12.1775 12.2426 12.2426 12.3244 12.3244 13.2249 13.2249 13.4313 13.4313 13.4924 13.4924 13.5431 13.5431 13.8089 13.8089 14.3577 14.3577 14.4351 14.4351 17.9383 17.9383 18.4201 18.4201 18.4734 18.4734 20.1249 20.1249 k = 0.0000 0.0000 0.1419 ( 2427 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2098 -33.2098 -33.2016 -33.2016 -0.5571 -0.5571 -0.5545 -0.5545 -0.1143 -0.1143 -0.0938 -0.0938 -0.0905 -0.0905 4.1721 4.1721 10.5983 10.5983 10.9968 10.9968 11.0504 11.0504 11.1619 11.1619 11.2761 11.2761 12.1549 12.1549 12.2468 12.2468 12.3284 12.3284 13.1994 13.1994 13.4091 13.4091 13.4699 13.4699 13.5422 13.5422 13.8276 13.8276 14.3494 14.3494 14.4308 14.4308 17.8444 17.8444 18.3213 18.3213 18.3756 18.3756 20.1480 20.1480 k = 0.0000 0.0000 0.1548 ( 2427 PWs) bands (ev): -64.8604 -64.8604 -34.4704 -34.4704 -33.2098 -33.2098 -33.2016 -33.2016 -0.5569 -0.5569 -0.5543 -0.5543 -0.1141 -0.1141 -0.0936 -0.0936 -0.0903 -0.0903 4.2067 4.2067 10.5539 10.5539 11.0087 11.0087 11.0622 11.0622 11.1727 11.1727 11.2929 11.2929 12.1290 12.1290 12.2519 12.2519 12.3332 12.3332 13.1756 13.1756 13.3852 13.3852 13.4457 13.4457 13.5413 13.5413 13.8451 13.8451 14.3401 14.3401 14.4262 14.4262 17.7511 17.7511 18.2183 18.2183 18.2739 18.2739 20.0896 20.0896 k = 0.0000 0.0000 0.1677 ( 2431 PWs) bands (ev): -64.8604 -64.8604 -34.4704 -34.4704 -33.2098 -33.2098 -33.2016 -33.2016 -0.5567 -0.5567 -0.5542 -0.5542 -0.1140 -0.1140 -0.0934 -0.0934 -0.0901 -0.0901 4.2442 4.2442 10.5081 10.5081 11.0217 11.0217 11.0750 11.0750 11.1843 11.1843 11.3091 11.3091 12.1001 12.1001 12.2578 12.2578 12.3387 12.3387 13.1535 13.1535 13.3596 13.3596 13.4199 13.4199 13.5406 13.5406 13.8612 13.8612 14.3301 14.3301 14.4214 14.4214 17.6581 17.6581 18.1121 18.1121 18.1688 18.1688 20.0330 20.0330 k = 0.0000 0.0000 0.1806 ( 2427 PWs) bands (ev): -64.8604 -64.8604 -34.4704 -34.4704 -33.2099 -33.2099 -33.2017 -33.2017 -0.5565 -0.5565 -0.5539 -0.5539 -0.1137 -0.1137 -0.0932 -0.0932 -0.0898 -0.0898 4.2847 4.2847 10.4611 10.4611 11.0355 11.0355 11.0888 11.0888 11.1967 11.1967 11.3248 11.3248 12.0686 12.0686 12.2643 12.2643 12.3448 12.3448 13.1333 13.1333 13.3326 13.3326 13.3928 13.3928 13.5398 13.5398 13.8761 13.8761 14.3191 14.3191 14.4163 14.4163 17.5648 17.5648 18.0035 18.0035 18.0608 18.0608 19.9786 19.9786 k = 0.0000 0.0000 0.1935 ( 2427 PWs) bands (ev): -64.8604 -64.8604 -34.4704 -34.4704 -33.2099 -33.2099 -33.2017 -33.2017 -0.5563 -0.5563 -0.5537 -0.5537 -0.1136 -0.1136 -0.0930 -0.0930 -0.0895 -0.0895 4.3280 4.3280 10.4130 10.4130 11.0503 11.0503 11.1035 11.1035 11.2098 11.2098 11.3399 11.3399 12.0346 12.0346 12.2715 12.2715 12.3516 12.3516 13.1149 13.1149 13.3043 13.3043 13.3645 13.3645 13.5389 13.5389 13.8898 13.8898 14.3073 14.3073 14.4110 14.4110 17.4710 17.4710 17.8930 17.8930 17.9505 17.9505 19.9264 19.9264 k = 0.0000 0.0000 0.2064 ( 2431 PWs) bands (ev): -64.8604 -64.8604 -34.4704 -34.4704 -33.2099 -33.2099 -33.2017 -33.2017 -0.5562 -0.5562 -0.5535 -0.5535 -0.1134 -0.1134 -0.0928 -0.0928 -0.0892 -0.0892 4.3741 4.3741 10.3638 10.3638 11.0661 11.0661 11.1191 11.1191 11.2237 11.2237 11.3543 11.3543 11.9982 11.9982 12.2793 12.2793 12.3590 12.3590 13.0984 13.0984 13.2747 13.2747 13.3352 13.3352 13.5381 13.5381 13.9021 13.9021 14.2946 14.2946 14.4054 14.4054 17.3761 17.3761 17.7812 17.7812 17.8382 17.8382 19.8765 19.8765 k = 0.0000 0.0000 0.2193 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4705 -34.4705 -33.2100 -33.2100 -33.2017 -33.2017 -0.5560 -0.5560 -0.5532 -0.5532 -0.1131 -0.1131 -0.0925 -0.0925 -0.0889 -0.0889 4.4231 4.4231 10.3138 10.3138 11.0827 11.0827 11.1356 11.1356 11.2383 11.2383 11.3680 11.3680 11.9597 11.9597 12.2879 12.2879 12.3671 12.3671 13.0837 13.0837 13.2440 13.2440 13.3051 13.3051 13.5373 13.5373 13.9132 13.9132 14.2812 14.2812 14.3996 14.3996 17.2796 17.2796 17.6685 17.6685 17.7245 17.7245 19.8073 19.8073 k = 0.0000 0.0000 0.2322 ( 2419 PWs) bands (ev): -64.8604 -64.8604 -34.4705 -34.4705 -33.2100 -33.2100 -33.2017 -33.2017 -0.5558 -0.5558 -0.5529 -0.5529 -0.1129 -0.1129 -0.0923 -0.0923 -0.0885 -0.0885 4.4748 4.4748 10.2629 10.2629 11.1001 11.1001 11.1530 11.1530 11.2536 11.2536 11.3809 11.3809 11.9194 11.9194 12.2971 12.2971 12.3759 12.3759 13.0708 13.0708 13.2124 13.2124 13.2743 13.2743 13.5364 13.5364 13.9231 13.9231 14.2670 14.2670 14.3935 14.3935 17.1812 17.1812 17.5552 17.5552 17.6098 17.6098 19.6856 19.6856 k = 0.0000 0.0000 0.2451 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4705 -34.4705 -33.2100 -33.2100 -33.2017 -33.2017 -0.5557 -0.5557 -0.5526 -0.5526 -0.1127 -0.1127 -0.0921 -0.0921 -0.0881 -0.0881 4.5293 4.5293 10.2114 10.2114 11.1184 11.1184 11.1712 11.1712 11.2696 11.2696 11.3930 11.3930 11.8773 11.8773 12.3070 12.3070 12.3853 12.3853 13.0594 13.0594 13.1799 13.1799 13.2429 13.2429 13.5355 13.5355 13.9319 13.9319 14.2520 14.2520 14.3870 14.3870 17.0805 17.0805 17.4416 17.4416 17.4944 17.4944 19.5629 19.5629 k = 0.0000 0.0000 0.2580 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4705 -34.4705 -33.2101 -33.2101 -33.2018 -33.2018 -0.5555 -0.5555 -0.5524 -0.5524 -0.1125 -0.1125 -0.0919 -0.0919 -0.0877 -0.0877 4.5865 4.5865 10.1593 10.1593 11.1375 11.1375 11.1902 11.1902 11.2862 11.2862 11.4041 11.4041 11.8339 11.8339 12.3176 12.3176 12.3954 12.3954 13.0495 13.0495 13.1466 13.1466 13.2112 13.2112 13.5345 13.5345 13.9395 13.9395 14.2363 14.2363 14.3802 14.3802 16.9772 16.9772 17.3280 17.3280 17.3786 17.3786 19.4420 19.4420 k = 0.0000 0.0000 0.2709 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4705 -34.4705 -33.2101 -33.2101 -33.2018 -33.2018 -0.5554 -0.5554 -0.5521 -0.5521 -0.1123 -0.1123 -0.0918 -0.0918 -0.0873 -0.0873 4.6463 4.6463 10.1067 10.1067 11.1573 11.1573 11.2100 11.2100 11.3034 11.3034 11.4142 11.4142 11.7893 11.7893 12.3290 12.3290 12.4063 12.4063 13.0406 13.0406 13.1128 13.1128 13.1793 13.1793 13.5336 13.5336 13.9460 13.9460 14.2200 14.2200 14.3731 14.3731 16.8713 16.8713 17.2145 17.2145 17.2627 17.2627 19.3250 19.3250 k = 0.0000 0.0000 0.2838 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4706 -34.4706 -33.2101 -33.2101 -33.2018 -33.2018 -0.5553 -0.5553 -0.5518 -0.5518 -0.1121 -0.1121 -0.0916 -0.0916 -0.0868 -0.0868 4.7087 4.7087 10.0538 10.0538 11.1778 11.1778 11.2306 11.2306 11.3211 11.3211 11.4233 11.4233 11.7439 11.7439 12.3411 12.3411 12.4179 12.4179 13.0325 13.0325 13.0787 13.0787 13.1477 13.1477 13.5326 13.5326 13.9515 13.9515 14.2030 14.2030 14.3656 14.3656 16.7626 16.7626 17.1013 17.1013 17.1469 17.1469 19.2132 19.2132 k = 0.0000 0.0000 0.2968 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4706 -34.4706 -33.2102 -33.2102 -33.2018 -33.2018 -0.5552 -0.5552 -0.5514 -0.5514 -0.1120 -0.1120 -0.0915 -0.0915 -0.0864 -0.0864 4.7737 4.7737 10.0007 10.0007 11.1990 11.1990 11.2518 11.2518 11.3393 11.3393 11.4311 11.4311 11.6979 11.6979 12.3541 12.3541 12.4303 12.4303 13.0239 13.0239 13.0448 13.0448 13.1169 13.1169 13.5316 13.5316 13.9560 13.9560 14.1854 14.1854 14.3577 14.3577 16.6512 16.6512 16.9887 16.9887 17.0314 17.0314 19.1075 19.1075 k = 0.0000 0.0000 0.3097 ( 2427 PWs) bands (ev): -64.8604 -64.8604 -34.4706 -34.4706 -33.2102 -33.2102 -33.2018 -33.2018 -0.5551 -0.5551 -0.5512 -0.5512 -0.1118 -0.1118 -0.0913 -0.0913 -0.0859 -0.0859 4.8411 4.8411 9.9473 9.9473 11.2207 11.2207 11.2736 11.2736 11.3578 11.3578 11.4377 11.4377 11.6516 11.6516 12.3678 12.3678 12.4435 12.4435 13.0055 13.0055 13.0192 13.0192 13.0884 13.0884 13.5306 13.5306 13.9595 13.9595 14.1672 14.1672 14.3493 14.3493 16.5376 16.5376 16.8766 16.8766 16.9164 16.9164 19.0085 19.0085 k = 0.0000 0.0000 0.3226 ( 2427 PWs) bands (ev): -64.8604 -64.8604 -34.4706 -34.4706 -33.2103 -33.2103 -33.2019 -33.2019 -0.5550 -0.5550 -0.5509 -0.5509 -0.1117 -0.1117 -0.0912 -0.0912 -0.0854 -0.0854 4.9110 4.9110 9.8939 9.8939 11.2429 11.2429 11.2961 11.2961 11.3765 11.3765 11.4430 11.4430 11.6052 11.6052 12.3823 12.3823 12.4575 12.4575 12.9721 12.9721 13.0043 13.0043 13.0650 13.0650 13.5296 13.5296 13.9621 13.9621 14.1486 14.1486 14.3405 14.3405 16.4221 16.4221 16.7655 16.7655 16.8022 16.8022 18.9165 18.9165 k = 0.0000 0.0000 0.3355 ( 2421 PWs) bands (ev): -64.8604 -64.8604 -34.4707 -34.4707 -33.2103 -33.2103 -33.2019 -33.2019 -0.5549 -0.5549 -0.5505 -0.5505 -0.1115 -0.1115 -0.0911 -0.0911 -0.0848 -0.0848 4.9832 4.9832 9.8406 9.8406 11.2654 11.2654 11.3189 11.3189 11.3949 11.3949 11.4473 11.4473 11.5594 11.5594 12.3978 12.3978 12.4725 12.4725 12.9372 12.9372 12.9835 12.9835 13.0498 13.0498 13.5286 13.5286 13.9639 13.9639 14.1295 14.1295 14.3310 14.3310 16.3052 16.3052 16.6552 16.6552 16.6888 16.6888 18.8315 18.8315 k = 0.0000 0.0000 0.3484 ( 2415 PWs) bands (ev): -64.8603 -64.8603 -34.4707 -34.4707 -33.2103 -33.2103 -33.2019 -33.2019 -0.5548 -0.5548 -0.5502 -0.5502 -0.1114 -0.1114 -0.0910 -0.0910 -0.0843 -0.0843 5.0577 5.0577 9.7873 9.7873 11.2879 11.2879 11.3420 11.3420 11.4119 11.4119 11.4512 11.4512 11.5146 11.5146 12.4140 12.4140 12.4882 12.4882 12.9022 12.9022 12.9565 12.9565 13.0419 13.0419 13.5275 13.5275 13.9649 13.9649 14.1101 14.1101 14.3209 14.3209 16.1876 16.1876 16.5461 16.5461 16.5764 16.5764 18.7534 18.7534 k = 0.0000 0.0000 0.3613 ( 2415 PWs) bands (ev): -64.8603 -64.8603 -34.4707 -34.4707 -33.2104 -33.2104 -33.2019 -33.2019 -0.5547 -0.5547 -0.5499 -0.5499 -0.1113 -0.1113 -0.0910 -0.0910 -0.0837 -0.0837 5.1343 5.1343 9.7341 9.7341 11.3096 11.3096 11.3649 11.3649 11.4244 11.4244 11.4560 11.4560 11.4742 11.4742 12.4310 12.4310 12.5049 12.5049 12.8674 12.8674 12.9262 12.9262 13.0383 13.0383 13.5265 13.5265 13.9651 13.9651 14.0903 14.0903 14.3101 14.3101 16.0702 16.0702 16.4381 16.4381 16.4651 16.4651 18.6819 18.6819 k = 0.0000 0.0000 0.3742 ( 2411 PWs) bands (ev): -64.8603 -64.8603 -34.4707 -34.4707 -33.2104 -33.2104 -33.2020 -33.2020 -0.5546 -0.5546 -0.5497 -0.5497 -0.1111 -0.1111 -0.0909 -0.0909 -0.0832 -0.0832 5.2130 5.2130 9.6811 9.6811 11.3281 11.3281 11.3854 11.3854 11.4252 11.4252 11.4383 11.4383 11.4729 11.4729 12.4488 12.4488 12.5225 12.5225 12.8329 12.8329 12.8944 12.8944 13.0370 13.0370 13.5254 13.5254 13.9645 13.9645 14.0704 14.0704 14.2985 14.2985 15.9537 15.9537 16.3314 16.3314 16.3551 16.3551 18.6168 18.6168 k = 0.0000 0.0000 0.3871 ( 2411 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2105 -33.2105 -33.2020 -33.2020 -0.5545 -0.5545 -0.5494 -0.5494 -0.1110 -0.1110 -0.0909 -0.0909 -0.0826 -0.0826 5.2937 5.2937 9.6284 9.6284 11.3321 11.3321 11.3937 11.3937 11.4174 11.4174 11.4369 11.4369 11.4899 11.4899 12.4672 12.4672 12.5411 12.5411 12.7990 12.7990 12.8620 12.8620 13.0372 13.0372 13.5244 13.5244 13.9632 13.9632 14.0502 14.0502 14.2860 14.2860 15.8389 15.8389 16.2261 16.2261 16.2465 16.2465 18.5576 18.5576 k = 0.0000 0.0000 0.4000 ( 2407 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2105 -33.2105 -33.2020 -33.2020 -0.5545 -0.5545 -0.5491 -0.5491 -0.1109 -0.1109 -0.0909 -0.0909 -0.0820 -0.0820 5.3762 5.3762 9.5759 9.5759 11.3079 11.3079 11.4034 11.4034 11.4170 11.4170 11.4516 11.4516 11.5095 11.5095 12.4860 12.4860 12.5606 12.5606 12.7660 12.7660 12.8294 12.8294 13.0383 13.0383 13.5233 13.5233 13.9611 13.9611 14.0302 14.0302 14.2725 14.2725 15.7268 15.7268 16.1223 16.1223 16.1394 16.1394 18.5040 18.5040 k = 0.0000 0.0000 0.4129 ( 2407 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2106 -33.2106 -33.2020 -33.2020 -0.5544 -0.5544 -0.5489 -0.5489 -0.1109 -0.1109 -0.0909 -0.0909 -0.0815 -0.0815 5.4604 5.4604 9.5237 9.5237 11.2710 11.2710 11.4053 11.4053 11.4269 11.4269 11.4744 11.4744 11.5299 11.5299 12.5047 12.5047 12.5810 12.5810 12.7346 12.7346 12.7968 12.7968 13.0403 13.0403 13.5223 13.5223 13.9580 13.9580 14.0106 14.0106 14.2578 14.2578 15.6182 15.6182 16.0202 16.0202 16.0339 16.0339 18.4554 18.4554 k = 0.0000 0.0000 0.4258 ( 2399 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2106 -33.2106 -33.2020 -33.2020 -0.5543 -0.5543 -0.5487 -0.5487 -0.1108 -0.1108 -0.0910 -0.0910 -0.0809 -0.0809 5.5462 5.5462 9.4718 9.4718 11.2315 11.2315 11.3930 11.3930 11.4498 11.4498 11.4992 11.4992 11.5508 11.5508 12.5224 12.5224 12.6022 12.6022 12.7058 12.7058 12.7645 12.7645 13.0428 13.0428 13.5212 13.5212 13.9532 13.9532 13.9921 13.9921 14.2420 14.2420 15.5139 15.5139 15.9197 15.9197 15.9302 15.9302 18.4116 18.4116 k = 0.0000 0.0000 0.4387 ( 2403 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2106 -33.2106 -33.2021 -33.2021 -0.5543 -0.5543 -0.5485 -0.5485 -0.1107 -0.1107 -0.0910 -0.0910 -0.0803 -0.0803 5.6335 5.6335 9.4202 9.4202 11.1920 11.1920 11.3768 11.3768 11.4744 11.4744 11.5248 11.5248 11.5718 11.5718 12.5367 12.5367 12.6240 12.6240 12.6821 12.6821 12.7324 12.7324 13.0459 13.0459 13.5202 13.5202 13.9454 13.9454 13.9764 13.9764 14.2248 14.2248 15.4147 15.4147 15.8209 15.8209 15.8286 15.8286 18.3720 18.3720 k = 0.0000 0.0000 0.4516 ( 2403 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2107 -33.2107 -33.2021 -33.2021 -0.5543 -0.5543 -0.5483 -0.5483 -0.1106 -0.1106 -0.0911 -0.0911 -0.0798 -0.0798 5.7219 5.7219 9.3689 9.3689 11.1532 11.1532 11.3574 11.3574 11.4997 11.4997 11.5506 11.5506 11.5928 11.5928 12.5431 12.5431 12.6445 12.6445 12.6698 12.6698 12.7008 12.7008 13.0493 13.0493 13.5192 13.5192 13.9326 13.9326 13.9653 13.9653 14.2063 14.2063 15.3213 15.3213 15.7238 15.7238 15.7294 15.7294 18.3363 18.3363 k = 0.0000 0.0000 0.4645 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2107 -33.2107 -33.2021 -33.2021 -0.5542 -0.5542 -0.5482 -0.5482 -0.1106 -0.1106 -0.0912 -0.0912 -0.0792 -0.0792 5.8114 5.8114 9.3178 9.3178 11.1157 11.1157 11.3348 11.3348 11.5252 11.5252 11.5766 11.5766 11.6138 11.6138 12.5367 12.5367 12.6565 12.6565 12.6706 12.6706 12.6805 12.6805 13.0531 13.0531 13.5182 13.5182 13.9158 13.9158 13.9582 13.9582 14.1863 14.1863 15.2343 15.2343 15.6277 15.6277 15.6334 15.6334 18.3042 18.3042 k = 0.0000 0.0000 0.4774 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2107 -33.2107 -33.2021 -33.2021 -0.5542 -0.5542 -0.5480 -0.5480 -0.1105 -0.1105 -0.0913 -0.0913 -0.0787 -0.0787 5.9016 5.9016 9.2670 9.2670 11.0795 11.0795 11.3093 11.3093 11.5508 11.5508 11.6027 11.6027 11.6345 11.6345 12.5187 12.5187 12.6363 12.6363 12.6754 12.6754 12.7027 12.7027 13.0571 13.0571 13.5172 13.5172 13.8972 13.8972 13.9529 13.9529 14.1650 14.1650 15.1540 15.1540 15.5329 15.5329 15.5407 15.5407 18.2753 18.2753 k = 0.0000 0.0000 0.4903 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2108 -33.2108 -33.2021 -33.2021 -0.5542 -0.5542 -0.5479 -0.5479 -0.1105 -0.1105 -0.0914 -0.0914 -0.0782 -0.0782 5.9924 5.9924 9.2164 9.2164 11.0448 11.0448 11.2811 11.2811 11.5765 11.5765 11.6286 11.6286 11.6550 11.6550 12.4943 12.4943 12.6063 12.6063 12.6959 12.6959 12.7284 12.7284 13.0613 13.0613 13.5162 13.5162 13.8782 13.8782 13.9482 13.9482 14.1424 14.1424 15.0808 15.0808 15.4401 15.4401 15.4511 15.4511 18.2494 18.2494 k = 0.0000 0.0000 0.5032 ( 2400 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2108 -33.2108 -33.2021 -33.2021 -0.5541 -0.5541 -0.5477 -0.5477 -0.1105 -0.1105 -0.0915 -0.0915 -0.0777 -0.0777 6.0835 6.0835 9.1660 9.1660 11.0119 11.0119 11.2504 11.2504 11.6020 11.6020 11.6542 11.6542 11.6753 11.6753 12.4671 12.4671 12.5764 12.5764 12.7205 12.7205 12.7554 12.7554 13.0657 13.0657 13.5153 13.5153 13.8593 13.8593 13.9439 13.9439 14.1188 14.1188 15.0148 15.0148 15.3497 15.3497 15.3643 15.3643 18.2262 18.2262 k = 0.0000 0.0000 0.5161 ( 2402 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2108 -33.2108 -33.2022 -33.2022 -0.5541 -0.5541 -0.5477 -0.5477 -0.1104 -0.1104 -0.0916 -0.0916 -0.0772 -0.0772 6.1744 6.1744 9.1159 9.1159 10.9807 10.9807 11.2176 11.2176 11.6273 11.6273 11.6792 11.6792 11.6954 11.6954 12.4387 12.4387 12.5470 12.5470 12.7473 12.7473 12.7833 12.7833 13.0702 13.0702 13.5143 13.5143 13.8406 13.8406 13.9397 13.9397 14.0944 14.0944 14.9558 14.9558 15.2621 15.2621 15.2804 15.2804 18.2054 18.2054 k = 0.0000 0.0000 0.5290 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2109 -33.2109 -33.2022 -33.2022 -0.5541 -0.5541 -0.5476 -0.5476 -0.1104 -0.1104 -0.0918 -0.0918 -0.0768 -0.0768 6.2649 6.2649 9.0659 9.0659 10.9513 10.9513 11.1831 11.1831 11.6523 11.6523 11.7031 11.7031 11.7158 11.7158 12.4099 12.4099 12.5182 12.5182 12.7755 12.7755 12.8118 12.8118 13.0748 13.0748 13.5134 13.5134 13.8225 13.8225 13.9356 13.9356 14.0695 14.0695 14.9036 14.9036 15.1776 15.1776 15.1998 15.1998 18.1868 18.1868 k = 0.0000 0.0000 0.5419 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2109 -33.2109 -33.2022 -33.2022 -0.5541 -0.5541 -0.5475 -0.5475 -0.1104 -0.1104 -0.0919 -0.0919 -0.0764 -0.0764 6.3544 6.3544 9.0162 9.0162 10.9238 10.9238 11.1474 11.1474 11.6770 11.6770 11.7247 11.7247 11.7375 11.7375 12.3813 12.3813 12.4901 12.4901 12.8044 12.8044 12.8409 12.8409 13.0794 13.0794 13.5126 13.5126 13.8051 13.8051 13.9316 13.9316 14.0447 14.0447 14.8578 14.8578 15.0964 15.0964 15.1226 15.1226 18.1703 18.1703 k = 0.0000 0.0000 0.5548 ( 2402 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2109 -33.2109 -33.2022 -33.2022 -0.5541 -0.5541 -0.5474 -0.5474 -0.1104 -0.1104 -0.0920 -0.0920 -0.0760 -0.0760 6.4425 6.4425 8.9669 8.9669 10.8984 10.8984 11.1110 11.1110 11.7011 11.7011 11.7439 11.7439 11.7606 11.7606 12.3530 12.3530 12.4628 12.4628 12.8337 12.8337 12.8702 12.8702 13.0840 13.0840 13.5118 13.5118 13.7885 13.7885 13.9278 13.9278 14.0204 14.0204 14.8177 14.8177 15.0190 15.0190 15.0492 15.0492 18.1557 18.1557 k = 0.0000 0.0000 0.5677 ( 2400 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2022 -33.2022 -0.5541 -0.5541 -0.5473 -0.5473 -0.1103 -0.1103 -0.0921 -0.0921 -0.0756 -0.0756 6.5286 6.5286 8.9181 8.9181 10.8750 10.8750 11.0748 11.0748 11.7245 11.7245 11.7613 11.7613 11.7841 11.7841 12.3252 12.3252 12.4364 12.4364 12.8629 12.8629 12.8994 12.8994 13.0887 13.0887 13.5110 13.5110 13.7729 13.7729 13.9241 13.9241 13.9970 13.9970 14.7826 14.7826 14.9458 14.9458 14.9799 14.9799 18.1428 18.1428 k = 0.0000 0.0000 0.5806 ( 2410 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2022 -33.2022 -0.5541 -0.5541 -0.5473 -0.5473 -0.1104 -0.1104 -0.0923 -0.0923 -0.0753 -0.0753 6.6118 6.6118 8.8702 8.8702 10.8536 10.8536 11.0392 11.0392 11.7468 11.7468 11.7779 11.7779 11.8075 11.8075 12.2979 12.2979 12.4109 12.4109 12.8916 12.8916 12.9281 12.9281 13.0934 13.0934 13.5103 13.5103 13.7583 13.7583 13.9206 13.9206 13.9750 13.9750 14.7515 14.7515 14.8773 14.8773 14.9154 14.9154 18.1315 18.1315 k = 0.0000 0.0000 0.5935 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2022 -33.2022 -0.5541 -0.5541 -0.5473 -0.5473 -0.1103 -0.1103 -0.0924 -0.0924 -0.0750 -0.0750 6.6916 6.6916 8.8236 8.8236 10.8344 10.8344 11.0050 11.0050 11.7674 11.7674 11.7940 11.7940 11.8304 11.8304 12.2715 12.2715 12.3866 12.3866 12.9192 12.9192 12.9559 12.9559 13.0982 13.0982 13.5096 13.5096 13.7449 13.7449 13.9173 13.9173 13.9547 13.9547 14.7233 14.7233 14.8148 14.8148 14.8563 14.8563 18.1217 18.1217 k = 0.0000 0.0000 0.6064 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2022 -33.2022 -0.5541 -0.5541 -0.5473 -0.5473 -0.1103 -0.1103 -0.0925 -0.0925 -0.0747 -0.0747 6.7667 6.7667 8.7787 8.7787 10.8174 10.8174 10.9728 10.9728 11.7854 11.7854 11.8104 11.8104 11.8525 11.8525 12.2460 12.2460 12.3636 12.3636 12.9453 12.9453 12.9821 12.9821 13.1032 13.1032 13.5090 13.5090 13.7327 13.7327 13.9141 13.9141 13.9366 13.9366 14.6957 14.6957 14.7598 14.7598 14.8036 14.8036 18.1132 18.1132 k = 0.0000 0.0000 0.6193 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5541 -0.5541 -0.5473 -0.5473 -0.1104 -0.1104 -0.0926 -0.0926 -0.0745 -0.0745 6.8362 6.8362 8.7363 8.7363 10.8026 10.8026 10.9435 10.9435 11.8001 11.8001 11.8275 11.8275 11.8736 11.8736 12.2216 12.2216 12.3422 12.3422 12.9694 12.9694 13.0061 13.0061 13.1085 13.1085 13.5085 13.5085 13.7220 13.7220 13.9108 13.9108 13.9211 13.9211 14.6648 14.6648 14.7147 14.7147 14.7591 14.7591 18.1061 18.1061 k = 0.0000 0.0000 0.6322 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5541 -0.5541 -0.5472 -0.5472 -0.1103 -0.1103 -0.0927 -0.0927 -0.0743 -0.0743 6.8987 6.8987 8.6975 8.6975 10.7900 10.7900 10.9174 10.9174 11.8118 11.8118 11.8446 11.8446 11.8934 11.8934 12.1986 12.1986 12.3227 12.3227 12.9910 12.9910 13.0271 13.0271 13.1142 13.1142 13.5080 13.5080 13.7127 13.7127 13.9041 13.9041 13.9116 13.9116 14.6297 14.6297 14.6795 14.6795 14.7254 14.7254 18.1001 18.1001 k = 0.0000 0.0000 0.6451 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5541 -0.5541 -0.5472 -0.5472 -0.1103 -0.1103 -0.0927 -0.0927 -0.0741 -0.0741 6.9529 6.9529 8.6631 8.6631 10.7796 10.7796 10.8953 10.8953 11.8208 11.8208 11.8608 11.8608 11.9115 11.9115 12.1775 12.1775 12.3057 12.3057 13.0094 13.0094 13.0443 13.0443 13.1204 13.1204 13.5076 13.5076 13.7050 13.7050 13.8938 13.8938 13.9085 13.9085 14.5951 14.5951 14.6495 14.6495 14.7028 14.7028 18.0954 18.0954 k = 0.0000 0.0000 0.6580 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5541 -0.5541 -0.5472 -0.5472 -0.1103 -0.1103 -0.0927 -0.0927 -0.0740 -0.0740 6.9972 6.9972 8.6345 8.6345 10.7716 10.7716 10.8776 10.8776 11.8277 11.8277 11.8749 11.8749 11.9274 11.9274 12.1590 12.1590 12.2915 12.2915 13.0241 13.0241 13.0575 13.0575 13.1267 13.1267 13.5073 13.5073 13.6989 13.6989 13.8852 13.8852 13.9067 13.9067 14.5657 14.5657 14.6240 14.6240 14.6885 14.6885 18.0917 18.0917 k = 0.0000 0.0000 0.6709 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5541 -0.5541 -0.5472 -0.5472 -0.1103 -0.1103 -0.0928 -0.0928 -0.0739 -0.0739 7.0301 7.0301 8.6130 8.6130 10.7658 10.7658 10.8647 10.8647 11.8325 11.8325 11.8858 11.8858 11.9401 11.9401 12.1442 12.1442 12.2807 12.2807 13.0348 13.0348 13.0665 13.0665 13.1323 13.1323 13.5070 13.5070 13.6945 13.6945 13.8789 13.8789 13.9054 13.9054 14.5435 14.5435 14.6047 14.6047 14.6797 14.6797 18.0891 18.0891 k = 0.0000 0.0000 0.6838 ( 2420 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2111 -33.2111 -33.2023 -33.2023 -0.5541 -0.5541 -0.5472 -0.5472 -0.1104 -0.1104 -0.0928 -0.0928 -0.0738 -0.0738 7.0504 7.0504 8.5995 8.5995 10.7623 10.7623 10.8568 10.8568 11.8354 11.8354 11.8929 11.8929 11.9486 11.9486 12.1344 12.1344 12.2740 12.2740 13.0413 13.0413 13.0717 13.0717 13.1362 13.1362 13.5069 13.5069 13.6918 13.6918 13.8751 13.8751 13.9047 13.9047 14.5299 14.5299 14.5927 14.5927 14.6747 14.6747 18.0876 18.0876 k = 0.0000 0.0000 0.6967 ( 2422 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2111 -33.2111 -33.2023 -33.2023 -0.5541 -0.5541 -0.5472 -0.5472 -0.1104 -0.1104 -0.0928 -0.0928 -0.0738 -0.0738 7.0573 7.0573 8.5949 8.5949 10.7612 10.7612 10.8542 10.8542 11.8363 11.8363 11.8953 11.8953 11.9516 11.9516 12.1309 12.1309 12.2717 12.2717 13.0434 13.0434 13.0734 13.0734 13.1376 13.1376 13.5068 13.5068 13.6909 13.6909 13.8738 13.8738 13.9044 13.9044 14.5253 14.5253 14.5886 14.5886 14.6731 14.6731 18.0871 18.0871 k = 0.0000 0.0000 0.6967 ( 2422 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2111 -33.2111 -33.2023 -33.2023 -0.5541 -0.5541 -0.5472 -0.5472 -0.1104 -0.1104 -0.0928 -0.0928 -0.0738 -0.0738 7.0573 7.0573 8.5949 8.5949 10.7612 10.7612 10.8542 10.8542 11.8363 11.8363 11.8953 11.8953 11.9516 11.9516 12.1309 12.1309 12.2717 12.2717 13.0434 13.0434 13.0734 13.0734 13.1376 13.1376 13.5068 13.5068 13.6909 13.6909 13.8738 13.8738 13.9044 13.9044 14.5253 14.5253 14.5886 14.5886 14.6731 14.6731 18.0871 18.0871 k =-0.0092 0.0089 0.6967 ( 2424 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2111 -33.2111 -33.2023 -33.2023 -0.5541 -0.5541 -0.5472 -0.5472 -0.1104 -0.1104 -0.0928 -0.0928 -0.0739 -0.0739 7.0578 7.0578 8.5962 8.5962 10.7588 10.7588 10.8539 10.8539 11.8339 11.8339 11.8980 11.8980 11.9522 11.9522 12.1291 12.1291 12.2717 12.2717 13.0375 13.0375 13.0711 13.0711 13.1349 13.1349 13.5137 13.5137 13.6950 13.6950 13.8737 13.8737 13.9049 13.9049 14.5250 14.5250 14.5888 14.5888 14.6729 14.6729 18.0922 18.0922 k =-0.0183 0.0178 0.6967 ( 2420 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2111 -33.2111 -33.2023 -33.2023 -0.5540 -0.5540 -0.5472 -0.5472 -0.1103 -0.1103 -0.0928 -0.0928 -0.0739 -0.0739 7.0593 7.0593 8.6000 8.6000 10.7518 10.7518 10.8529 10.8529 11.8278 11.8278 11.9050 11.9050 11.9539 11.9539 12.1239 12.1239 12.2719 12.2719 13.0202 13.0202 13.0642 13.0642 13.1279 13.1279 13.5330 13.5330 13.7071 13.7071 13.8733 13.8733 13.9063 13.9063 14.5239 14.5239 14.5893 14.5893 14.6722 14.6722 18.1076 18.1076 k =-0.0275 0.0267 0.6967 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5539 -0.5539 -0.5472 -0.5472 -0.1102 -0.1102 -0.0927 -0.0927 -0.0739 -0.0739 7.0618 7.0618 8.6064 8.6064 10.7402 10.7402 10.8513 10.8513 11.8199 11.8199 11.9143 11.9143 11.9571 11.9571 12.1150 12.1150 12.2722 12.2722 12.9932 12.9932 13.0525 13.0525 13.1192 13.1192 13.5615 13.5615 13.7261 13.7261 13.8727 13.8727 13.9087 13.9087 14.5221 14.5221 14.5902 14.5902 14.6710 14.6710 18.1333 18.1333 k =-0.0366 0.0355 0.6967 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5539 -0.5539 -0.5472 -0.5472 -0.1102 -0.1102 -0.0926 -0.0926 -0.0740 -0.0740 7.0653 7.0653 8.6153 8.6153 10.7241 10.7241 10.8490 10.8490 11.8112 11.8112 11.9241 11.9241 11.9621 11.9621 12.1024 12.1024 12.2728 12.2728 12.9591 12.9591 13.0366 13.0366 13.1105 13.1105 13.5960 13.5960 13.7504 13.7504 13.8719 13.8719 13.9121 13.9121 14.5195 14.5195 14.5914 14.5914 14.6694 14.6694 18.1690 18.1690 k =-0.0458 0.0444 0.6967 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5537 -0.5537 -0.5472 -0.5472 -0.1101 -0.1101 -0.0925 -0.0925 -0.0742 -0.0742 7.0697 7.0697 8.6267 8.6267 10.7036 10.7036 10.8461 10.8461 11.8026 11.8026 11.9334 11.9334 11.9694 11.9694 12.0863 12.0863 12.2736 12.2736 12.9203 12.9203 13.0176 13.0176 13.1021 13.1021 13.6338 13.6338 13.7786 13.7786 13.8710 13.8710 13.9167 13.9167 14.5163 14.5163 14.5928 14.5928 14.6674 14.6674 18.2148 18.2148 k =-0.0549 0.0533 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5536 -0.5536 -0.5472 -0.5472 -0.1100 -0.1100 -0.0924 -0.0924 -0.0743 -0.0743 7.0750 7.0750 8.6406 8.6406 10.6790 10.6790 10.8425 10.8425 11.7944 11.7944 11.9413 11.9413 11.9792 11.9792 12.0667 12.0667 12.2746 12.2746 12.8789 12.8789 12.9970 12.9970 13.0939 13.0939 13.6730 13.6730 13.8093 13.8093 13.8701 13.8701 13.9227 13.9227 14.5123 14.5123 14.5943 14.5943 14.6650 14.6650 18.2703 18.2703 k =-0.0641 0.0622 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5535 -0.5535 -0.5472 -0.5472 -0.1099 -0.1099 -0.0922 -0.0922 -0.0745 -0.0745 7.0811 7.0811 8.6571 8.6571 10.6504 10.6504 10.8382 10.8382 11.7867 11.7867 11.9482 11.9482 11.9909 11.9909 12.0442 12.0442 12.2754 12.2754 12.8367 12.8367 12.9759 12.9759 13.0855 13.0855 13.7119 13.7119 13.8408 13.8408 13.8693 13.8693 13.9308 13.9308 14.5077 14.5077 14.5959 14.5959 14.6622 14.6622 18.3354 18.3354 k =-0.0732 0.0711 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5533 -0.5533 -0.5472 -0.5472 -0.1097 -0.1097 -0.0920 -0.0920 -0.0747 -0.0747 7.0880 7.0880 8.6759 8.6759 10.6180 10.6180 10.8331 10.8331 11.7798 11.7798 11.9542 11.9542 12.0018 12.0018 12.0213 12.0213 12.2757 12.2757 12.7946 12.7946 12.9552 12.9552 13.0767 13.0767 13.7493 13.7493 13.8683 13.8683 13.8721 13.8721 13.9422 13.9422 14.5023 14.5023 14.5973 14.5973 14.6593 14.6593 18.4098 18.4098 k =-0.0824 0.0800 0.6967 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5531 -0.5531 -0.5472 -0.5472 -0.1096 -0.1096 -0.0917 -0.0917 -0.0749 -0.0749 7.0957 7.0957 8.6973 8.6973 10.5821 10.5821 10.8274 10.8274 11.7736 11.7736 11.9596 11.9596 11.9877 11.9877 12.0227 12.0227 12.2752 12.2752 12.7538 12.7538 12.9353 12.9353 13.0674 13.0674 13.7836 13.7836 13.8684 13.8684 13.9004 13.9004 13.9587 13.9587 14.4962 14.4962 14.5982 14.5982 14.6563 14.6563 18.4933 18.4933 k =-0.0915 0.0888 0.6967 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5529 -0.5529 -0.5472 -0.5472 -0.1095 -0.1095 -0.0915 -0.0915 -0.0751 -0.0751 7.1041 7.1041 8.7210 8.7210 10.5430 10.5430 10.8209 10.8209 11.7682 11.7682 11.9552 11.9552 11.9692 11.9692 12.0370 12.0370 12.2733 12.2733 12.7150 12.7150 12.9167 12.9167 13.0577 13.0577 13.8128 13.8128 13.8693 13.8693 13.9256 13.9256 13.9812 13.9812 14.4895 14.4895 14.5985 14.5985 14.6535 14.6535 18.5855 18.5855 k =-0.1007 0.0977 0.6967 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5527 -0.5527 -0.5472 -0.5472 -0.1093 -0.1093 -0.0911 -0.0911 -0.0754 -0.0754 7.1130 7.1130 8.7472 8.7472 10.5008 10.5008 10.8138 10.8138 11.7637 11.7637 11.9265 11.9265 11.9734 11.9734 12.0525 12.0525 12.2697 12.2697 12.6788 12.6788 12.8994 12.8994 13.0475 13.0475 13.8340 13.8340 13.8730 13.8730 13.9495 13.9495 14.0089 14.0089 14.4821 14.4821 14.5978 14.5978 14.6513 14.6513 18.6861 18.6861 k =-0.1099 0.1066 0.6967 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5525 -0.5525 -0.5472 -0.5472 -0.1092 -0.1092 -0.0908 -0.0908 -0.0757 -0.0757 7.1225 7.1225 8.7757 8.7757 10.4559 10.4559 10.8059 10.8059 11.7600 11.7600 11.8955 11.8955 11.9794 11.9794 12.0683 12.0683 12.2638 12.2638 12.6460 12.6460 12.8836 12.8836 13.0369 13.0369 13.8449 13.8449 13.8813 13.8813 13.9744 13.9744 14.0391 14.0391 14.4741 14.4741 14.5957 14.5957 14.6497 14.6497 18.7948 18.7948 k =-0.1190 0.1155 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5522 -0.5522 -0.5472 -0.5472 -0.1090 -0.1090 -0.0905 -0.0905 -0.0760 -0.0760 7.1323 7.1323 8.8065 8.8065 10.4086 10.4086 10.7974 10.7974 11.7569 11.7569 11.8648 11.8648 11.9856 11.9856 12.0841 12.0841 12.2554 12.2554 12.6170 12.6170 12.8693 12.8693 13.0261 13.0261 13.8483 13.8483 13.8922 13.8922 14.0009 14.0009 14.0700 14.0700 14.4655 14.4655 14.5919 14.5919 14.6490 14.6490 18.9110 18.9110 k =-0.1282 0.1244 0.6967 ( 2426 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5521 -0.5521 -0.5473 -0.5473 -0.1089 -0.1089 -0.0902 -0.0902 -0.0764 -0.0764 7.1425 7.1425 8.8396 8.8396 10.3591 10.3591 10.7883 10.7883 11.7540 11.7540 11.8353 11.8353 11.9920 11.9920 12.0998 12.0998 12.2443 12.2443 12.5918 12.5918 12.8563 12.8563 13.0150 13.0150 13.8485 13.8485 13.9028 13.9028 14.0283 14.0283 14.1008 14.1008 14.4563 14.4563 14.5865 14.5865 14.6491 14.6491 19.0345 19.0345 k =-0.1373 0.1333 0.6967 ( 2426 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5518 -0.5518 -0.5473 -0.5473 -0.1088 -0.1088 -0.0898 -0.0898 -0.0768 -0.0768 7.1529 7.1529 8.8749 8.8749 10.3077 10.3077 10.7788 10.7788 11.7501 11.7501 11.8089 11.8089 11.9984 11.9984 12.1151 12.1151 12.2307 12.2307 12.5707 12.5707 12.8446 12.8446 13.0039 13.0039 13.8473 13.8473 13.9124 13.9124 14.0559 14.0559 14.1310 14.1310 14.4466 14.4466 14.5796 14.5796 14.6499 14.6499 19.1647 19.1647 k =-0.1465 0.1421 0.6967 ( 2430 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5516 -0.5516 -0.5473 -0.5473 -0.1087 -0.1087 -0.0893 -0.0893 -0.0771 -0.0771 7.1633 7.1633 8.9124 8.9124 10.2546 10.2546 10.7689 10.7689 11.7419 11.7419 11.7893 11.7893 12.0046 12.0046 12.1296 12.1296 12.2154 12.2154 12.5531 12.5531 12.8341 12.8341 12.9927 12.9927 13.8453 13.8453 13.9213 13.9213 14.0829 14.0829 14.1603 14.1603 14.4364 14.4364 14.5714 14.5714 14.6511 14.6511 19.3012 19.3012 k =-0.1556 0.1510 0.6967 ( 2428 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2109 -33.2109 -33.2025 -33.2025 -0.5514 -0.5514 -0.5473 -0.5473 -0.1085 -0.1085 -0.0889 -0.0889 -0.0775 -0.0775 7.1738 7.1738 8.9520 8.9520 10.2001 10.2001 10.7587 10.7587 11.7261 11.7261 11.7801 11.7801 12.0106 12.0106 12.1422 12.1422 12.1999 12.1999 12.5387 12.5387 12.8246 12.8246 12.9816 12.9816 13.8428 13.8428 13.9296 13.9296 14.1088 14.1088 14.1887 14.1887 14.4257 14.4257 14.5620 14.5620 14.6527 14.6527 19.4433 19.4433 k =-0.1648 0.1599 0.6967 ( 2432 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2109 -33.2109 -33.2025 -33.2025 -0.5512 -0.5512 -0.5473 -0.5473 -0.1084 -0.1084 -0.0884 -0.0884 -0.0779 -0.0779 7.1841 7.1841 8.9936 8.9936 10.1445 10.1445 10.7485 10.7485 11.7057 11.7057 11.7789 11.7789 12.0158 12.0158 12.1492 12.1492 12.1888 12.1888 12.5268 12.5268 12.8161 12.8161 12.9708 12.9708 13.8399 13.8399 13.9377 13.9377 14.1335 14.1335 14.2159 14.2159 14.4145 14.4145 14.5517 14.5517 14.6542 14.6542 19.5905 19.5905 k =-0.1739 0.1688 0.6967 ( 2424 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2109 -33.2109 -33.2025 -33.2025 -0.5510 -0.5510 -0.5473 -0.5473 -0.1083 -0.1083 -0.0879 -0.0879 -0.0783 -0.0783 7.1942 7.1942 9.0373 9.0373 10.0880 10.0880 10.7384 10.7384 11.6847 11.6847 11.7816 11.7816 12.0199 12.0199 12.1437 12.1437 12.1899 12.1899 12.5168 12.5168 12.8085 12.8085 12.9603 12.9603 13.8366 13.8366 13.9457 13.9457 14.1569 14.1569 14.2420 14.2420 14.4030 14.4030 14.5406 14.5406 14.6556 14.6556 19.7420 19.7420 k =-0.1831 0.1777 0.6967 ( 2424 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2109 -33.2109 -33.2026 -33.2026 -0.5508 -0.5508 -0.5472 -0.5472 -0.1082 -0.1082 -0.0874 -0.0874 -0.0787 -0.0787 7.2039 7.2039 9.0828 9.0828 10.0308 10.0308 10.7288 10.7288 11.6649 11.6649 11.7867 11.7867 12.0221 12.0221 12.1305 12.1305 12.1994 12.1994 12.5081 12.5081 12.8017 12.8017 12.9503 12.9503 13.8329 13.8329 13.9536 13.9536 14.1788 14.1788 14.2668 14.2668 14.3911 14.3911 14.5287 14.5287 14.6569 14.6569 19.8965 19.8965 k =-0.1922 0.1866 0.6967 ( 2422 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2108 -33.2108 -33.2026 -33.2026 -0.5507 -0.5507 -0.5472 -0.5472 -0.1081 -0.1081 -0.0869 -0.0869 -0.0791 -0.0791 7.2131 7.2131 9.1302 9.1302 9.9732 9.9732 10.7197 10.7197 11.6470 11.6470 11.7936 11.7936 12.0213 12.0213 12.1174 12.1174 12.2112 12.2112 12.5001 12.5001 12.7956 12.7956 12.9408 12.9408 13.8289 13.8289 13.9614 13.9614 14.1994 14.1994 14.2902 14.2902 14.3788 14.3788 14.5164 14.5164 14.6578 14.6578 20.0527 20.0527 k =-0.2014 0.1954 0.6967 ( 2422 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2108 -33.2108 -33.2026 -33.2026 -0.5506 -0.5506 -0.5471 -0.5471 -0.1080 -0.1080 -0.0864 -0.0864 -0.0795 -0.0795 7.2218 7.2218 9.1794 9.1794 9.9153 9.9153 10.7114 10.7114 11.6313 11.6313 11.8020 11.8020 12.0165 12.0165 12.1077 12.1077 12.2231 12.2231 12.4925 12.4925 12.7902 12.7902 12.9321 12.9321 13.8244 13.8244 13.9692 13.9692 14.2184 14.2184 14.3119 14.3119 14.3664 14.3664 14.5039 14.5039 14.6583 14.6583 20.2083 20.2083 k =-0.2106 0.2043 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2108 -33.2108 -33.2026 -33.2026 -0.5505 -0.5505 -0.5470 -0.5470 -0.1079 -0.1079 -0.0858 -0.0858 -0.0799 -0.0799 7.2298 7.2298 9.2302 9.2302 9.8575 9.8575 10.7043 10.7043 11.6180 11.6180 11.8118 11.8118 12.0073 12.0073 12.1024 12.1024 12.2348 12.2348 12.4851 12.4851 12.7854 12.7854 12.9241 12.9241 13.8196 13.8196 13.9770 13.9770 14.2358 14.2358 14.3314 14.3314 14.3542 14.3542 14.4916 14.4916 14.6584 14.6584 20.3593 20.3593 k =-0.2197 0.2132 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2108 -33.2108 -33.2027 -33.2027 -0.5505 -0.5505 -0.5468 -0.5468 -0.1079 -0.1079 -0.0854 -0.0854 -0.0802 -0.0802 7.2370 7.2370 9.2826 9.2826 9.7998 9.7998 10.6984 10.6984 11.6071 11.6071 11.8228 11.8228 11.9947 11.9947 12.1008 12.1008 12.2458 12.2458 12.4775 12.4775 12.7811 12.7811 12.9170 12.9170 13.8144 13.8144 13.9848 13.9848 14.2514 14.2514 14.3395 14.3395 14.3508 14.3508 14.4802 14.4802 14.6581 14.6581 20.4989 20.4989 k =-0.2289 0.2221 0.6967 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2108 -33.2108 -33.2027 -33.2027 -0.5505 -0.5505 -0.5467 -0.5467 -0.1078 -0.1078 -0.0850 -0.0850 -0.0805 -0.0805 7.2434 7.2434 9.3364 9.3364 9.7426 9.7426 10.6940 10.6940 11.5987 11.5987 11.8350 11.8350 11.9804 11.9804 12.1016 12.1016 12.2562 12.2562 12.4697 12.4697 12.7774 12.7774 12.9110 12.9110 13.8088 13.8088 13.9925 13.9925 14.2644 14.2644 14.3293 14.3293 14.3627 14.3627 14.4714 14.4714 14.6572 14.6572 20.6148 20.6148 k =-0.2380 0.2310 0.6967 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2107 -33.2107 -33.2027 -33.2027 -0.5506 -0.5506 -0.5466 -0.5466 -0.1078 -0.1078 -0.0848 -0.0848 -0.0806 -0.0806 7.2488 7.2488 9.3916 9.3916 9.6858 9.6858 10.6912 10.6912 11.5926 11.5926 11.8482 11.8482 11.9656 11.9656 12.1038 12.1038 12.2657 12.2657 12.4616 12.4616 12.7741 12.7741 12.9060 12.9060 13.8028 13.8028 14.0000 14.0000 14.2724 14.2724 14.3216 14.3216 14.3691 14.3691 14.4673 14.4673 14.6559 14.6559 20.6865 20.6865 k =-0.2472 0.2399 0.6967 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2107 -33.2107 -33.2027 -33.2027 -0.5507 -0.5507 -0.5464 -0.5464 -0.1077 -0.1077 -0.0846 -0.0846 -0.0806 -0.0806 7.2533 7.2533 9.4479 9.4479 9.6298 9.6298 10.6903 10.6903 11.5889 11.5889 11.8620 11.8620 11.9514 11.9514 12.1065 12.1065 12.2744 12.2744 12.4531 12.4531 12.7713 12.7713 12.9022 12.9022 13.7966 13.7966 14.0075 14.0075 14.2715 14.2715 14.3212 14.3212 14.3676 14.3676 14.4696 14.4696 14.6541 14.6541 20.6921 20.6921 k =-0.2563 0.2487 0.6967 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2107 -33.2107 -33.2028 -33.2028 -0.5508 -0.5508 -0.5462 -0.5462 -0.1077 -0.1077 -0.0847 -0.0847 -0.0804 -0.0804 7.2568 7.2568 9.5054 9.5054 9.5746 9.5746 10.6911 10.6911 11.5877 11.5877 11.8756 11.8756 11.9390 11.9390 12.1093 12.1093 12.2821 12.2821 12.4443 12.4443 12.7689 12.7689 12.8997 12.8997 13.7900 13.7900 14.0147 14.0147 14.2620 14.2620 14.3278 14.3278 14.3588 14.3588 14.4776 14.4776 14.6518 14.6518 20.6284 20.6284 k =-0.2655 0.2576 0.6967 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2107 -33.2107 -33.2028 -33.2028 -0.5509 -0.5509 -0.5460 -0.5460 -0.1077 -0.1077 -0.0848 -0.0848 -0.0801 -0.0801 7.2592 7.2592 9.5203 9.5203 9.5640 9.5640 10.6939 10.6939 11.5887 11.5887 11.8867 11.8867 11.9310 11.9310 12.1121 12.1121 12.2888 12.2888 12.4352 12.4352 12.7669 12.7669 12.8984 12.8984 13.7831 13.7831 14.0217 14.0217 14.2481 14.2481 14.3364 14.3364 14.3461 14.3461 14.4890 14.4890 14.6490 14.6490 20.5150 20.5150 k =-0.2655 0.2576 0.6967 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2107 -33.2107 -33.2028 -33.2028 -0.5509 -0.5509 -0.5460 -0.5460 -0.1077 -0.1077 -0.0848 -0.0848 -0.0801 -0.0801 7.2592 7.2592 9.5203 9.5203 9.5640 9.5640 10.6939 10.6939 11.5887 11.5887 11.8867 11.8867 11.9310 11.9310 12.1121 12.1121 12.2888 12.2888 12.4352 12.4352 12.7669 12.7669 12.8984 12.8984 13.7831 13.7831 14.0217 14.0217 14.2481 14.2481 14.3364 14.3364 14.3461 14.3461 14.4890 14.4890 14.6490 14.6490 20.5150 20.5150 k =-0.2720 0.2639 0.6876 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2107 -33.2107 -33.2028 -33.2028 -0.5510 -0.5510 -0.5459 -0.5459 -0.1077 -0.1077 -0.0850 -0.0850 -0.0798 -0.0798 7.2595 7.2595 9.4831 9.4831 9.6043 9.6043 10.6988 10.6988 11.5896 11.5896 11.8900 11.8900 11.9312 11.9312 12.1142 12.1142 12.2935 12.2935 12.4290 12.4290 12.7650 12.7650 12.8979 12.8979 13.7784 13.7784 14.0263 14.0263 14.2339 14.2339 14.3336 14.3336 14.3498 14.3498 14.4990 14.4990 14.6473 14.6473 20.4048 20.4048 k =-0.2785 0.2703 0.6786 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2107 -33.2107 -33.2028 -33.2028 -0.5511 -0.5511 -0.5458 -0.5458 -0.1078 -0.1078 -0.0853 -0.0853 -0.0795 -0.0795 7.2579 7.2579 9.4478 9.4478 9.6411 9.6411 10.7083 10.7083 11.5892 11.5892 11.8876 11.8876 11.9383 11.9383 12.1170 12.1170 12.2986 12.2986 12.4236 12.4236 12.7617 12.7617 12.8973 12.8973 13.7743 13.7743 14.0303 14.0303 14.2132 14.2132 14.3341 14.3341 14.3606 14.3606 14.5104 14.5104 14.6465 14.6465 20.2644 20.2644 k =-0.2850 0.2766 0.6695 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5513 -0.5513 -0.5457 -0.5457 -0.1078 -0.1078 -0.0855 -0.0855 -0.0792 -0.0792 7.2548 7.2548 9.4143 9.4143 9.6737 9.6737 10.7222 10.7222 11.5873 11.5873 11.8812 11.8812 11.9505 11.9505 12.1204 12.1204 12.3039 12.3039 12.4193 12.4193 12.7570 12.7570 12.8967 12.8967 13.7708 13.7708 14.0337 14.0337 14.1884 14.1884 14.3415 14.3415 14.3734 14.3734 14.5222 14.5222 14.6462 14.6462 20.1029 20.1029 k =-0.2915 0.2829 0.6604 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5514 -0.5514 -0.5456 -0.5456 -0.1078 -0.1078 -0.0858 -0.0858 -0.0789 -0.0789 7.2504 7.2504 9.3828 9.3828 9.7019 9.7019 10.7403 10.7403 11.5842 11.5842 11.8731 11.8731 11.9656 11.9656 12.1246 12.1246 12.3087 12.3087 12.4163 12.4163 12.7509 12.7509 12.8958 12.8958 13.7677 13.7677 14.0362 14.0362 14.1621 14.1621 14.3534 14.3534 14.3890 14.3890 14.5341 14.5341 14.6464 14.6464 19.9293 19.9293 k =-0.2981 0.2892 0.6513 ( 2410 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5515 -0.5515 -0.5454 -0.5454 -0.1078 -0.1078 -0.0861 -0.0861 -0.0785 -0.0785 7.2453 7.2453 9.3533 9.3533 9.7256 9.7256 10.7621 10.7621 11.5799 11.5799 11.8644 11.8644 11.9823 11.9823 12.1296 12.1296 12.3127 12.3127 12.4152 12.4152 12.7434 12.7434 12.8948 12.8948 13.7651 13.7651 14.0376 14.0376 14.1359 14.1359 14.3672 14.3672 14.4086 14.4086 14.5457 14.5457 14.6469 14.6469 19.7506 19.7506 k =-0.3046 0.2956 0.6423 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5516 -0.5516 -0.5453 -0.5453 -0.1077 -0.1077 -0.0864 -0.0864 -0.0781 -0.0781 7.2395 7.2395 9.3259 9.3259 9.7449 9.7449 10.7869 10.7869 11.5746 11.5746 11.8554 11.8554 11.9999 11.9999 12.1353 12.1353 12.3154 12.3154 12.4163 12.4163 12.7346 12.7346 12.8937 12.8937 13.7629 13.7629 14.0374 14.0374 14.1113 14.1113 14.3810 14.3810 14.4332 14.4332 14.5567 14.5567 14.6477 14.6477 19.5716 19.5716 k =-0.3111 0.3019 0.6332 ( 2413 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5518 -0.5518 -0.5452 -0.5452 -0.1078 -0.1078 -0.0867 -0.0867 -0.0778 -0.0778 7.2335 7.2335 9.3005 9.3005 9.7603 9.7603 10.8139 10.8139 11.5685 11.5685 11.8466 11.8466 12.0179 12.0179 12.1419 12.1419 12.3164 12.3164 12.4197 12.4197 12.7244 12.7244 12.8923 12.8923 13.7610 13.7610 14.0340 14.0340 14.0903 14.0903 14.3942 14.3942 14.4626 14.4626 14.5671 14.5671 14.6487 14.6487 19.3957 19.3957 k =-0.3176 0.3082 0.6241 ( 2411 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5519 -0.5519 -0.5451 -0.5451 -0.1077 -0.1077 -0.0870 -0.0870 -0.0775 -0.0775 7.2273 7.2273 9.2772 9.2772 9.7722 9.7722 10.8422 10.8422 11.5617 11.5617 11.8381 11.8381 12.0358 12.0358 12.1494 12.1494 12.3158 12.3158 12.4255 12.4255 12.7131 12.7131 12.8909 12.8909 13.7595 13.7595 14.0252 14.0252 14.0757 14.0757 14.4068 14.4068 14.4957 14.4957 14.5768 14.5768 14.6500 14.6500 19.2256 19.2256 k =-0.3241 0.3145 0.6150 ( 2407 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5519 -0.5519 -0.5451 -0.5451 -0.1077 -0.1077 -0.0872 -0.0872 -0.0772 -0.0772 7.2212 7.2212 9.2561 9.2561 9.7812 9.7812 10.8709 10.8709 11.5545 11.5545 11.8300 11.8300 12.0532 12.0532 12.1577 12.1577 12.3138 12.3138 12.4331 12.4331 12.7007 12.7007 12.8894 12.8894 13.7582 13.7582 14.0106 14.0106 14.0681 14.0681 14.4187 14.4187 14.5308 14.5308 14.5861 14.5861 14.6519 14.6519 19.0634 19.0634 k =-0.3306 0.3208 0.6059 ( 2405 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2029 -33.2029 -0.5520 -0.5520 -0.5450 -0.5450 -0.1077 -0.1077 -0.0875 -0.0875 -0.0769 -0.0769 7.2154 7.2154 9.2371 9.2371 9.7877 9.7877 10.8991 10.8991 11.5469 11.5469 11.8225 11.8225 12.0695 12.0695 12.1667 12.1667 12.3108 12.3108 12.4422 12.4422 12.6874 12.6874 12.8879 12.8879 13.7572 13.7572 13.9931 13.9931 14.0649 14.0649 14.4300 14.4300 14.5640 14.5640 14.5973 14.5973 14.6548 14.6548 18.9110 18.9110 k =-0.3371 0.3272 0.5969 ( 2407 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5521 -0.5521 -0.5449 -0.5449 -0.1077 -0.1077 -0.0877 -0.0877 -0.0766 -0.0766 7.2099 7.2099 9.2203 9.2203 9.7923 9.7923 10.9261 10.9261 11.5393 11.5393 11.8157 11.8157 12.0845 12.0845 12.1762 12.1762 12.3072 12.3072 12.4522 12.4522 12.6735 12.6735 12.8864 12.8864 13.7565 13.7565 13.9755 13.9755 14.0635 14.0635 14.4406 14.4406 14.5849 14.5849 14.6172 14.6172 14.6608 14.6608 18.7702 18.7702 k =-0.3437 0.3335 0.5878 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5522 -0.5522 -0.5448 -0.5448 -0.1077 -0.1077 -0.0879 -0.0879 -0.0764 -0.0764 7.2050 7.2050 9.2057 9.2057 9.7954 9.7954 10.9512 10.9512 11.5319 11.5319 11.8096 11.8096 12.0977 12.0977 12.1860 12.1860 12.3035 12.3035 12.4628 12.4628 12.6592 12.6592 12.8850 12.8850 13.7560 13.7560 13.9590 13.9590 14.0630 14.0630 14.4505 14.4505 14.5932 14.5932 14.6379 14.6379 14.6769 14.6769 18.6429 18.6429 k =-0.3502 0.3398 0.5787 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5523 -0.5523 -0.5448 -0.5448 -0.1076 -0.1076 -0.0881 -0.0881 -0.0762 -0.0762 7.2006 7.2006 9.1933 9.1933 9.7974 9.7974 10.9737 10.9737 11.5249 11.5249 11.8043 11.8043 12.1091 12.1091 12.1955 12.1955 12.3001 12.3001 12.4736 12.4736 12.6449 12.6449 12.8837 12.8837 13.7557 13.7557 13.9443 13.9443 14.0628 14.0628 14.4593 14.4593 14.5971 14.5971 14.6471 14.6471 14.7055 14.7055 18.5308 18.5308 k =-0.3567 0.3461 0.5696 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5523 -0.5523 -0.5448 -0.5448 -0.1076 -0.1076 -0.0883 -0.0883 -0.0761 -0.0761 7.1970 7.1970 9.1831 9.1831 9.7987 9.7987 10.9930 10.9930 11.5186 11.5186 11.8000 11.8000 12.1186 12.1186 12.2041 12.2041 12.2972 12.2972 12.4841 12.4841 12.6310 12.6310 12.8826 12.8826 13.7555 13.7555 13.9319 13.9319 14.0627 14.0627 14.4671 14.4671 14.5993 14.5993 14.6513 14.6513 14.7360 14.7360 18.4358 18.4358 k =-0.3632 0.3524 0.5606 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5524 -0.5524 -0.5447 -0.5447 -0.1076 -0.1076 -0.0884 -0.0884 -0.0759 -0.0759 7.1940 7.1940 9.1752 9.1752 9.7994 9.7994 11.0086 11.0086 11.5134 11.5134 11.7965 11.7965 12.1260 12.1260 12.2113 12.2113 12.2950 12.2950 12.4941 12.4941 12.6181 12.6181 12.8817 12.8817 13.7554 13.7554 13.9220 13.9220 14.0627 14.0627 14.4734 14.4734 14.6003 14.6003 14.6540 14.6540 14.7630 14.7630 18.3597 18.3597 k =-0.3697 0.3588 0.5515 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5524 -0.5524 -0.5447 -0.5447 -0.1076 -0.1076 -0.0885 -0.0885 -0.0759 -0.0759 7.1919 7.1919 9.1696 9.1696 9.7998 9.7998 11.0201 11.0201 11.5093 11.5093 11.7940 11.7940 12.1315 12.1315 12.2165 12.2165 12.2936 12.2936 12.5027 12.5027 12.6071 12.6071 12.8811 12.8811 13.7554 13.7554 13.9148 13.9148 14.0628 14.0628 14.4781 14.4781 14.6007 14.6007 14.6558 14.6558 14.7838 14.7838 18.3040 18.3040 k =-0.3762 0.3651 0.5424 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5524 -0.5524 -0.5447 -0.5447 -0.1076 -0.1076 -0.0885 -0.0885 -0.0758 -0.0758 7.1906 7.1906 9.1662 9.1662 9.8000 9.8000 11.0271 11.0271 11.5068 11.5068 11.7925 11.7925 12.1348 12.1348 12.2196 12.2196 12.2928 12.2928 12.5088 12.5088 12.5994 12.5994 12.8807 12.8807 13.7554 13.7554 13.9104 13.9104 14.0628 14.0628 14.4809 14.4809 14.6009 14.6009 14.6568 14.6568 14.7968 14.7968 18.2701 18.2701 k =-0.3827 0.3714 0.5333 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5524 -0.5524 -0.5447 -0.5447 -0.1076 -0.1076 -0.0885 -0.0885 -0.0758 -0.0758 7.1902 7.1902 9.1650 9.1650 9.8000 9.8000 11.0294 11.0294 11.5059 11.5059 11.7920 11.7920 12.1360 12.1360 12.2206 12.2206 12.2926 12.2926 12.5111 12.5111 12.5966 12.5966 12.8806 12.8806 13.7554 13.7554 13.9090 13.9090 14.0628 14.0628 14.4818 14.4818 14.6010 14.6010 14.6572 14.6572 14.8013 14.8013 18.2586 18.2586 k =-0.3827 0.3714 0.5333 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5524 -0.5524 -0.5447 -0.5447 -0.1076 -0.1076 -0.0885 -0.0885 -0.0758 -0.0758 7.1902 7.1902 9.1650 9.1650 9.8000 9.8000 11.0294 11.0294 11.5059 11.5059 11.7920 11.7920 12.1360 12.1360 12.2206 12.2206 12.2926 12.2926 12.5111 12.5111 12.5966 12.5966 12.8806 12.8806 13.7554 13.7554 13.9090 13.9090 14.0628 14.0628 14.4818 14.4818 14.6010 14.6010 14.6572 14.6572 14.8013 14.8013 18.2586 18.2586 k =-0.3761 0.3650 0.5241 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5522 -0.5522 -0.5448 -0.5448 -0.1073 -0.1073 -0.0884 -0.0884 -0.0762 -0.0762 7.1780 7.1780 9.2104 9.2104 9.7279 9.7279 11.0448 11.0448 11.4628 11.4628 11.7886 11.7886 12.1393 12.1393 12.2232 12.2232 12.3072 12.3072 12.4901 12.4901 12.6006 12.6006 12.8655 12.8655 13.7726 13.7726 13.9256 13.9256 14.0574 14.0574 14.4798 14.4798 14.6109 14.6109 14.6652 14.6652 14.8995 14.8995 18.2655 18.2655 k =-0.3695 0.3586 0.5149 ( 2410 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5520 -0.5520 -0.5449 -0.5449 -0.1072 -0.1072 -0.0883 -0.0883 -0.0766 -0.0766 7.1616 7.1616 9.2580 9.2580 9.6596 9.6596 11.0607 11.0607 11.4202 11.4202 11.7859 11.7859 12.1415 12.1415 12.2245 12.2245 12.3222 12.3222 12.4692 12.4692 12.6067 12.6067 12.8510 12.8510 13.7899 13.7899 13.9429 13.9429 14.0521 14.0521 14.4774 14.4774 14.6182 14.6182 14.6790 14.6790 14.9997 14.9997 18.2711 18.2711 k =-0.3629 0.3522 0.5057 ( 2410 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2029 -33.2029 -0.5518 -0.5518 -0.5451 -0.5451 -0.1069 -0.1069 -0.0882 -0.0882 -0.0770 -0.0770 7.1405 7.1405 9.3078 9.3078 9.5961 9.5961 11.0771 11.0771 11.3784 11.3784 11.7838 11.7838 12.1426 12.1426 12.2248 12.2248 12.3369 12.3369 12.4490 12.4490 12.6140 12.6140 12.8373 12.8373 13.8072 13.8072 13.9601 13.9601 14.0476 14.0476 14.4747 14.4747 14.6241 14.6241 14.6981 14.6981 15.1017 15.1017 18.2757 18.2757 k =-0.3563 0.3458 0.4965 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2029 -33.2029 -0.5516 -0.5516 -0.5452 -0.5452 -0.1067 -0.1067 -0.0881 -0.0881 -0.0773 -0.0773 7.1141 7.1141 9.3596 9.3596 9.5382 9.5382 11.0939 11.0939 11.3373 11.3373 11.7824 11.7824 12.1428 12.1428 12.2240 12.2240 12.3500 12.3500 12.4309 12.4309 12.6219 12.6219 12.8247 12.8247 13.8245 13.8245 13.9757 13.9757 14.0455 14.0455 14.4716 14.4716 14.6302 14.6302 14.7214 14.7214 15.2053 15.2053 18.2797 18.2797 k =-0.3497 0.3394 0.4874 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2029 -33.2029 -0.5514 -0.5514 -0.5454 -0.5454 -0.1065 -0.1065 -0.0881 -0.0881 -0.0777 -0.0777 7.0820 7.0820 9.4132 9.4132 9.4870 9.4870 11.1111 11.1111 11.2972 11.2972 11.7817 11.7817 12.1423 12.1423 12.2220 12.2220 12.3578 12.3578 12.4185 12.4185 12.6298 12.6298 12.8135 12.8135 13.8416 13.8416 13.9868 13.9868 14.0484 14.0484 14.4681 14.4681 14.6376 14.6376 14.7480 14.7480 15.3104 15.3104 18.2830 18.2830 k =-0.3431 0.3330 0.4782 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2028 -33.2028 -0.5512 -0.5512 -0.5455 -0.5455 -0.1063 -0.1063 -0.0880 -0.0880 -0.0780 -0.0780 7.0440 7.0440 9.4406 9.4406 9.4711 9.4711 11.1285 11.1285 11.2581 11.2581 11.7817 11.7817 12.1414 12.1414 12.2187 12.2187 12.3538 12.3538 12.4178 12.4178 12.6373 12.6373 12.8039 12.8039 13.8584 13.8584 13.9908 13.9908 14.0590 14.0590 14.4643 14.4643 14.6474 14.6474 14.7778 14.7778 15.4169 15.4169 18.2860 18.2860 k =-0.3366 0.3266 0.4690 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2106 -33.2106 -33.2028 -33.2028 -0.5511 -0.5511 -0.5457 -0.5457 -0.1062 -0.1062 -0.0880 -0.0880 -0.0783 -0.0783 6.9999 6.9999 9.4046 9.4046 9.5279 9.5279 11.1460 11.1460 11.2202 11.2202 11.7823 11.7823 12.1401 12.1401 12.2139 12.2139 12.3394 12.3394 12.4277 12.4277 12.6441 12.6441 12.7961 12.7961 13.8743 13.8743 13.9890 13.9890 14.0755 14.0755 14.4601 14.4601 14.6604 14.6604 14.8103 14.8103 15.5246 15.5246 18.2887 18.2887 k =-0.3300 0.3202 0.4598 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2106 -33.2106 -33.2028 -33.2028 -0.5509 -0.5509 -0.5458 -0.5458 -0.1061 -0.1061 -0.0880 -0.0880 -0.0786 -0.0786 6.9497 6.9497 9.3753 9.3753 9.5875 9.5875 11.1626 11.1626 11.1846 11.1846 11.7837 11.7837 12.1382 12.1382 12.2079 12.2079 12.3205 12.3205 12.4422 12.4422 12.6502 12.6502 12.7902 12.7902 13.8892 13.8892 13.9850 13.9850 14.0949 14.0949 14.4554 14.4554 14.6773 14.6773 14.8456 14.8456 15.6335 15.6335 18.2913 18.2913 k =-0.3234 0.3138 0.4506 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2106 -33.2106 -33.2028 -33.2028 -0.5508 -0.5508 -0.5460 -0.5460 -0.1060 -0.1060 -0.0880 -0.0880 -0.0788 -0.0788 6.8935 6.8935 9.3537 9.3537 9.6490 9.6490 11.1460 11.1460 11.1833 11.1833 11.7856 11.7856 12.1354 12.1354 12.2009 12.2009 12.3000 12.3000 12.4583 12.4583 12.6556 12.6556 12.7862 12.7862 13.9020 13.9020 13.9812 13.9812 14.1150 14.1150 14.4504 14.4504 14.6988 14.6988 14.8837 14.8837 15.7436 15.7436 18.2938 18.2938 k =-0.3168 0.3074 0.4414 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2106 -33.2106 -33.2027 -33.2027 -0.5506 -0.5506 -0.5462 -0.5462 -0.1059 -0.1059 -0.0881 -0.0881 -0.0791 -0.0791 6.8316 6.8316 9.3397 9.3397 9.7122 9.7122 11.1121 11.1121 11.2005 11.2005 11.7883 11.7883 12.1307 12.1307 12.1936 12.1936 12.2792 12.2792 12.4749 12.4749 12.6603 12.6603 12.7840 12.7840 13.9108 13.9108 13.9801 13.9801 14.1347 14.1347 14.4449 14.4449 14.7254 14.7254 14.9244 14.9244 15.8546 15.8546 18.2965 18.2965 k =-0.3102 0.3010 0.4322 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2106 -33.2106 -33.2027 -33.2027 -0.5505 -0.5505 -0.5463 -0.5463 -0.1058 -0.1058 -0.0882 -0.0882 -0.0793 -0.0793 6.7644 6.7644 9.3331 9.3331 9.7770 9.7770 11.0790 11.0790 11.2180 11.2180 11.7916 11.7916 12.1234 12.1234 12.1863 12.1863 12.2592 12.2592 12.4914 12.4914 12.6645 12.6645 12.7835 12.7835 13.9138 13.9138 13.9841 13.9841 14.1531 14.1531 14.4389 14.4389 14.7574 14.7574 14.9679 14.9679 15.9666 15.9666 18.2995 18.2995 k =-0.3036 0.2946 0.4230 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2106 -33.2106 -33.2027 -33.2027 -0.5505 -0.5505 -0.5465 -0.5465 -0.1058 -0.1058 -0.0883 -0.0883 -0.0795 -0.0795 6.6925 6.6925 9.3335 9.3335 9.8434 9.8434 11.0471 11.0471 11.2353 11.2353 11.7955 11.7955 12.1126 12.1126 12.1785 12.1785 12.2415 12.2415 12.5076 12.5076 12.6685 12.6685 12.7845 12.7845 13.9110 13.9110 13.9933 13.9933 14.1698 14.1698 14.4324 14.4324 14.7952 14.7952 15.0141 15.0141 16.0795 16.0795 18.3028 18.3028 k =-0.2970 0.2882 0.4138 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2106 -33.2106 -33.2026 -33.2026 -0.5504 -0.5504 -0.5467 -0.5467 -0.1058 -0.1058 -0.0884 -0.0884 -0.0797 -0.0797 6.6163 6.6163 9.3405 9.3405 9.9111 9.9111 11.0165 11.0165 11.2523 11.2523 11.8001 11.8001 12.0985 12.0985 12.1680 12.1680 12.2289 12.2289 12.5232 12.5232 12.6725 12.6725 12.7869 12.7869 13.9043 13.9043 14.0060 14.0060 14.1847 14.1847 14.4254 14.4254 14.8388 14.8388 15.0630 15.0630 16.1931 16.1931 18.3067 18.3067 k =-0.2904 0.2818 0.4046 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2026 -33.2026 -0.5504 -0.5504 -0.5470 -0.5470 -0.1058 -0.1058 -0.0886 -0.0886 -0.0798 -0.0798 6.5365 6.5365 9.3534 9.3534 9.9801 9.9801 10.9873 10.9873 11.2688 11.2688 11.8052 11.8052 12.0814 12.0814 12.1524 12.1524 12.2234 12.2234 12.5377 12.5377 12.6768 12.6768 12.7905 12.7905 13.8954 13.8954 14.0205 14.0205 14.1977 14.1977 14.4179 14.4179 14.8881 14.8881 15.1147 15.1147 16.3074 16.3074 18.3111 18.3111 k =-0.2838 0.2754 0.3954 ( 2410 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2026 -33.2026 -0.5504 -0.5504 -0.5471 -0.5471 -0.1059 -0.1059 -0.0887 -0.0887 -0.0800 -0.0800 6.4537 6.4537 9.3719 9.3719 10.0502 10.0502 10.9594 10.9594 11.2848 11.2848 11.8109 11.8109 12.0622 12.0622 12.1323 12.1323 12.2241 12.2241 12.5508 12.5508 12.6820 12.6820 12.7952 12.7952 13.8853 13.8853 14.0360 14.0360 14.2088 14.2088 14.4099 14.4099 14.9427 14.9427 15.1692 15.1692 16.4223 16.4223 18.3164 18.3164 k =-0.2772 0.2690 0.3862 ( 2405 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2025 -33.2025 -0.5504 -0.5504 -0.5473 -0.5473 -0.1059 -0.1059 -0.0889 -0.0889 -0.0801 -0.0801 6.3684 6.3684 9.3954 9.3954 10.1213 10.1213 10.9330 10.9330 11.3000 11.3000 11.8171 11.8171 12.0413 12.0413 12.1096 12.1096 12.2289 12.2289 12.5621 12.5621 12.6884 12.6884 12.8008 12.8008 13.8745 13.8745 14.0519 14.0519 14.2184 14.2184 14.4014 14.4014 15.0025 15.0025 15.2265 15.2265 16.5376 16.5376 18.3226 18.3226 k =-0.2706 0.2625 0.3770 ( 2403 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2025 -33.2025 -0.5504 -0.5504 -0.5475 -0.5475 -0.1060 -0.1060 -0.0890 -0.0890 -0.0803 -0.0803 6.2812 6.2812 9.4233 9.4233 10.1933 10.1933 10.9080 10.9080 11.3145 11.3145 11.8237 11.8237 12.0194 12.0194 12.0855 12.0855 12.2363 12.2363 12.5716 12.5716 12.6965 12.6965 12.8072 12.8072 13.8633 13.8633 14.0680 14.0680 14.2265 14.2265 14.3923 14.3923 15.0668 15.0668 15.2866 15.2866 16.6534 16.6534 18.3298 18.3298 k =-0.2640 0.2561 0.3678 ( 2395 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2025 -33.2025 -0.5504 -0.5504 -0.5477 -0.5477 -0.1061 -0.1061 -0.0892 -0.0892 -0.0804 -0.0804 6.1926 6.1926 9.4551 9.4551 10.2659 10.2659 10.8844 10.8844 11.3280 11.3280 11.8305 11.8305 11.9970 11.9970 12.0606 12.0606 12.2456 12.2456 12.5791 12.5791 12.7064 12.7064 12.8141 12.8141 13.8520 13.8520 14.0841 14.0841 14.2335 14.2335 14.3827 14.3827 15.1353 15.1353 15.3496 15.3496 16.7693 16.7693 18.3383 18.3383 k =-0.2574 0.2497 0.3586 ( 2391 PWs) bands (ev): -64.8602 -64.8602 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5505 -0.5505 -0.5479 -0.5479 -0.1063 -0.1063 -0.0894 -0.0894 -0.0805 -0.0805 6.1031 6.1031 9.4905 9.4905 10.3388 10.3388 10.8622 10.8622 11.3404 11.3404 11.8373 11.8373 11.9748 11.9748 12.0352 12.0352 12.2562 12.2562 12.5851 12.5851 12.7182 12.7182 12.8215 12.8215 13.8407 13.8407 14.1002 14.1002 14.2395 14.2395 14.3724 14.3724 15.2075 15.2075 15.4154 15.4154 16.8853 16.8853 18.3482 18.3482 k =-0.2508 0.2433 0.3494 ( 2391 PWs) bands (ev): -64.8602 -64.8602 -34.4709 -34.4709 -33.2105 -33.2105 -33.2024 -33.2024 -0.5506 -0.5506 -0.5481 -0.5481 -0.1064 -0.1064 -0.0896 -0.0896 -0.0807 -0.0807 6.0131 6.0131 9.5289 9.5289 10.4119 10.4119 10.8415 10.8415 11.3517 11.3517 11.8435 11.8435 11.9535 11.9535 12.0095 12.0095 12.2676 12.2676 12.5903 12.5903 12.7315 12.7315 12.8292 12.8292 13.8296 13.8296 14.1161 14.1161 14.2448 14.2448 14.3616 14.3616 15.2830 15.2830 15.4840 15.4840 17.0013 17.0013 18.3598 18.3598 k =-0.2442 0.2369 0.3402 ( 2387 PWs) bands (ev): -64.8602 -64.8602 -34.4709 -34.4709 -33.2105 -33.2105 -33.2024 -33.2024 -0.5507 -0.5507 -0.5483 -0.5483 -0.1066 -0.1066 -0.0897 -0.0897 -0.0809 -0.0809 5.9229 5.9229 9.5699 9.5699 10.4849 10.4849 10.8223 10.8223 11.3617 11.3617 11.8479 11.8479 11.9348 11.9348 11.9836 11.9836 12.2793 12.2793 12.5953 12.5953 12.7462 12.7462 12.8372 12.8372 13.8186 13.8186 14.1320 14.1320 14.2494 14.2494 14.3502 14.3502 15.3615 15.3615 15.5554 15.5554 17.1169 17.1169 18.3731 18.3731 k =-0.2376 0.2305 0.3310 ( 2391 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2105 -33.2105 -33.2023 -33.2023 -0.5508 -0.5508 -0.5486 -0.5486 -0.1069 -0.1069 -0.0899 -0.0899 -0.0811 -0.0811 5.8329 5.8329 9.6131 9.6131 10.5573 10.5573 10.8045 10.8045 11.3705 11.3705 11.8483 11.8483 11.9212 11.9212 11.9577 11.9577 12.2909 12.2909 12.6011 12.6011 12.7618 12.7618 12.8453 12.8453 13.8079 13.8079 14.1475 14.1475 14.2537 14.2537 14.3382 14.3382 15.4424 15.4424 15.6297 15.6297 17.2322 17.2322 18.3884 18.3884 k =-0.2310 0.2241 0.3218 ( 2395 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2104 -33.2104 -33.2023 -33.2023 -0.5510 -0.5510 -0.5488 -0.5488 -0.1072 -0.1072 -0.0901 -0.0901 -0.0813 -0.0813 5.7435 5.7435 9.6583 9.6583 10.6287 10.6287 10.7882 10.7882 11.3778 11.3778 11.8422 11.8422 11.9154 11.9154 11.9319 11.9319 12.3019 12.3019 12.6085 12.6085 12.7781 12.7781 12.8536 12.8536 13.7975 13.7975 14.1629 14.1629 14.2575 14.2575 14.3256 14.3256 15.5254 15.5254 15.7067 15.7067 17.3467 17.3467 18.4060 18.4060 k =-0.2244 0.2177 0.3126 ( 2397 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2104 -33.2104 -33.2023 -33.2023 -0.5512 -0.5512 -0.5491 -0.5491 -0.1074 -0.1074 -0.0903 -0.0903 -0.0816 -0.0816 5.6548 5.6548 9.7051 9.7051 10.6983 10.6983 10.7737 10.7737 11.3838 11.3838 11.8305 11.8305 11.9045 11.9045 11.9188 11.9188 12.3117 12.3117 12.6182 12.6182 12.7948 12.7948 12.8620 12.8620 13.7875 13.7875 14.1779 14.1779 14.2610 14.2610 14.3125 14.3125 15.6102 15.6102 15.7866 15.7866 17.4602 17.4602 18.4260 18.4260 k =-0.2178 0.2113 0.3034 ( 2393 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2104 -33.2104 -33.2022 -33.2022 -0.5513 -0.5513 -0.5493 -0.5493 -0.1077 -0.1077 -0.0904 -0.0904 -0.0818 -0.0818 5.5672 5.5672 9.7531 9.7531 10.7537 10.7537 10.7728 10.7728 11.3882 11.3882 11.8165 11.8165 11.8787 11.8787 11.9253 11.9253 12.3199 12.3199 12.6310 12.6310 12.8117 12.8117 12.8706 12.8706 13.7780 13.7780 14.1927 14.1927 14.2641 14.2641 14.2991 14.2991 15.6965 15.6965 15.8694 15.8694 17.5726 17.5726 18.4487 18.4487 k =-0.2112 0.2049 0.2943 ( 2397 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2104 -33.2104 -33.2022 -33.2022 -0.5516 -0.5516 -0.5496 -0.5496 -0.1080 -0.1080 -0.0906 -0.0906 -0.0821 -0.0821 5.4808 5.4808 9.8021 9.8021 10.7461 10.7461 10.8337 10.8337 11.3912 11.3912 11.8029 11.8029 11.8526 11.8526 11.9349 11.9349 12.3261 12.3261 12.6472 12.6472 12.8286 12.8286 12.8797 12.8797 13.7690 13.7690 14.2070 14.2070 14.2658 14.2658 14.2864 14.2864 15.7839 15.7839 15.9549 15.9549 17.6833 17.6833 18.4743 18.4743 k =-0.2046 0.1985 0.2851 ( 2401 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2104 -33.2104 -33.2021 -33.2021 -0.5518 -0.5518 -0.5498 -0.5498 -0.1083 -0.1083 -0.0908 -0.0908 -0.0825 -0.0825 5.3959 5.3959 9.8519 9.8519 10.7357 10.7357 10.8950 10.8950 11.3928 11.3928 11.7913 11.7913 11.8267 11.8267 11.9460 11.9460 12.3303 12.3303 12.6669 12.6669 12.8454 12.8454 12.8894 12.8894 13.7605 13.7605 14.2208 14.2208 14.2617 14.2617 14.2790 14.2790 15.8722 15.8722 16.0432 16.0432 17.7922 17.7922 18.5029 18.5029 k =-0.1980 0.1921 0.2759 ( 2407 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2103 -33.2103 -33.2021 -33.2021 -0.5520 -0.5520 -0.5501 -0.5501 -0.1086 -0.1086 -0.0910 -0.0910 -0.0828 -0.0828 5.3126 5.3126 9.9021 9.9021 10.7265 10.7265 10.9520 10.9520 11.3929 11.3929 11.7819 11.7819 11.8023 11.8023 11.9582 11.9582 12.3325 12.3325 12.6901 12.6901 12.8617 12.8617 12.9001 12.9001 13.7526 13.7526 14.2331 14.2331 14.2504 14.2504 14.2794 14.2794 15.9610 15.9610 16.1342 16.1342 17.8987 17.8987 18.5349 18.5349 k =-0.1914 0.1857 0.2667 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4707 -34.4707 -33.2103 -33.2103 -33.2021 -33.2021 -0.5522 -0.5522 -0.5504 -0.5504 -0.1089 -0.1089 -0.0912 -0.0912 -0.0832 -0.0832 5.2310 5.2310 9.9526 9.9526 10.7186 10.7186 11.0034 11.0034 11.3916 11.3916 11.7672 11.7672 11.7881 11.7881 11.9711 11.9711 12.3328 12.3328 12.7163 12.7163 12.8774 12.8774 12.9122 12.9122 13.7452 13.7452 14.2302 14.2302 14.2507 14.2507 14.2824 14.2824 16.0502 16.0502 16.2279 16.2279 18.0024 18.0024 18.5704 18.5704 k =-0.1848 0.1793 0.2575 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4707 -34.4707 -33.2103 -33.2103 -33.2021 -33.2021 -0.5525 -0.5525 -0.5506 -0.5506 -0.1093 -0.1093 -0.0913 -0.0913 -0.0836 -0.0836 5.1514 5.1514 10.0031 10.0031 10.7120 10.7120 11.0479 11.0479 11.3890 11.3890 11.7430 11.7430 11.7891 11.7891 11.9846 11.9846 12.3317 12.3317 12.7451 12.7451 12.8927 12.8927 12.9258 12.9258 13.7383 13.7383 14.2143 14.2143 14.2622 14.2622 14.2862 14.2862 16.1396 16.1396 16.3243 16.3243 18.1029 18.1029 18.6094 18.6094 k =-0.1782 0.1729 0.2483 ( 2415 PWs) bands (ev): -64.8603 -64.8603 -34.4707 -34.4707 -33.2102 -33.2102 -33.2020 -33.2020 -0.5527 -0.5527 -0.5509 -0.5509 -0.1096 -0.1096 -0.0915 -0.0915 -0.0840 -0.0840 5.0738 5.0738 10.0535 10.0535 10.7068 10.7068 11.0848 11.0848 11.3852 11.3852 11.7168 11.7168 11.7987 11.7987 11.9985 11.9985 12.3292 12.3292 12.7756 12.7756 12.9080 12.9080 12.9411 12.9411 13.7320 13.7320 14.1967 14.1967 14.2737 14.2737 14.2908 14.2908 16.2290 16.2290 16.4233 16.4233 18.1996 18.1996 18.6523 18.6523 k =-0.1716 0.1665 0.2391 ( 2415 PWs) bands (ev): -64.8603 -64.8603 -34.4707 -34.4707 -33.2102 -33.2102 -33.2020 -33.2020 -0.5530 -0.5530 -0.5512 -0.5512 -0.1099 -0.1099 -0.0917 -0.0917 -0.0844 -0.0844 4.9984 4.9984 10.1036 10.1036 10.7029 10.7029 11.1134 11.1134 11.3802 11.3802 11.6902 11.6902 11.8157 11.8157 12.0128 12.0128 12.3259 12.3259 12.8069 12.8069 12.9245 12.9245 12.9576 12.9576 13.7262 13.7262 14.1781 14.1781 14.2835 14.2835 14.2970 14.2970 16.3182 16.3182 16.5249 16.5249 18.2919 18.2919 18.6988 18.6988 k =-0.1650 0.1601 0.2299 ( 2415 PWs) bands (ev): -64.8603 -64.8603 -34.4706 -34.4706 -33.2102 -33.2102 -33.2020 -33.2020 -0.5532 -0.5532 -0.5515 -0.5515 -0.1103 -0.1103 -0.0918 -0.0918 -0.0848 -0.0848 4.9252 4.9252 10.1532 10.1532 10.7004 10.7004 11.1338 11.1338 11.3740 11.3740 11.6633 11.6633 11.8395 11.8395 12.0273 12.0273 12.3218 12.3218 12.8376 12.8376 12.9437 12.9437 12.9751 12.9751 13.7210 13.7210 14.1588 14.1588 14.2908 14.2908 14.3056 14.3056 16.4073 16.4073 16.6289 16.6289 18.3793 18.3793 18.7491 18.7491 k =-0.1584 0.1537 0.2207 ( 2415 PWs) bands (ev): -64.8603 -64.8603 -34.4706 -34.4706 -33.2101 -33.2101 -33.2019 -33.2019 -0.5535 -0.5535 -0.5517 -0.5517 -0.1106 -0.1106 -0.0920 -0.0920 -0.0852 -0.0852 4.8543 4.8543 10.2021 10.2021 10.6991 10.6991 11.1467 11.1467 11.3669 11.3669 11.6363 11.6363 11.8691 11.8691 12.0421 12.0421 12.3172 12.3172 12.8665 12.8665 12.9669 12.9669 12.9933 12.9933 13.7162 13.7162 14.1388 14.1388 14.2963 14.2963 14.3158 14.3158 16.4961 16.4961 16.7354 16.7354 18.4613 18.4613 18.8031 18.8031 k =-0.1518 0.1473 0.2115 ( 2419 PWs) bands (ev): -64.8604 -64.8604 -34.4706 -34.4706 -33.2101 -33.2101 -33.2019 -33.2019 -0.5538 -0.5538 -0.5520 -0.5520 -0.1109 -0.1109 -0.0921 -0.0921 -0.0857 -0.0857 4.7859 4.7859 10.2503 10.2503 10.6991 10.6991 11.1530 11.1530 11.3588 11.3588 11.6093 11.6093 11.9030 11.9030 12.0570 12.0570 12.3122 12.3122 12.8928 12.8928 12.9947 12.9947 13.0124 13.0124 13.7119 13.7119 14.1181 14.1181 14.3011 14.3011 14.3264 14.3264 16.5847 16.5847 16.8442 16.8442 18.5373 18.5373 18.8604 18.8604 k =-0.1452 0.1409 0.2023 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4706 -34.4706 -33.2101 -33.2101 -33.2019 -33.2019 -0.5540 -0.5540 -0.5522 -0.5522 -0.1112 -0.1112 -0.0922 -0.0922 -0.0861 -0.0861 4.7200 4.7200 10.2975 10.2975 10.7004 10.7004 11.1539 11.1539 11.3500 11.3500 11.5822 11.5822 11.9398 11.9398 12.0720 12.0720 12.3071 12.3071 12.9168 12.9168 13.0245 13.0245 13.0344 13.0344 13.7079 13.7079 14.0967 14.0967 14.3057 14.3057 14.3370 14.3370 16.6733 16.6733 16.9553 16.9553 18.6070 18.6070 18.9209 18.9209 k =-0.1386 0.1345 0.1931 ( 2413 PWs) bands (ev): -64.8603 -64.8603 -34.4705 -34.4705 -33.2100 -33.2100 -33.2018 -33.2018 -0.5543 -0.5543 -0.5525 -0.5525 -0.1115 -0.1115 -0.0924 -0.0924 -0.0865 -0.0865 4.6566 4.6566 10.3438 10.3438 10.7029 10.7029 11.1507 11.1507 11.3404 11.3404 11.5551 11.5551 11.9779 11.9779 12.0870 12.0870 12.3019 12.3019 12.9397 12.9397 13.0475 13.0475 13.0670 13.0670 13.7043 13.7043 14.0748 14.0748 14.3102 14.3102 14.3473 14.3473 16.7618 16.7618 17.0684 17.0684 18.6700 18.6700 18.9841 18.9841 k =-0.1320 0.1281 0.1839 ( 2417 PWs) bands (ev): -64.8604 -64.8604 -34.4705 -34.4705 -33.2100 -33.2100 -33.2018 -33.2018 -0.5546 -0.5546 -0.5528 -0.5528 -0.1118 -0.1118 -0.0926 -0.0926 -0.0870 -0.0870 4.5959 4.5959 10.3888 10.3888 10.7067 10.7067 11.1443 11.1443 11.3302 11.3302 11.5280 11.5280 12.0158 12.0158 12.1020 12.1020 12.2966 12.2966 12.9628 12.9628 13.0676 13.0676 13.1050 13.1050 13.7010 13.7010 14.0523 14.0523 14.3148 14.3148 14.3572 14.3572 16.8507 16.8507 17.1835 17.1835 18.7260 18.7260 19.0495 19.0495 k =-0.1254 0.1217 0.1747 ( 2413 PWs) bands (ev): -64.8604 -64.8604 -34.4705 -34.4705 -33.2100 -33.2100 -33.2018 -33.2018 -0.5548 -0.5548 -0.5530 -0.5530 -0.1121 -0.1121 -0.0927 -0.0927 -0.0874 -0.0874 4.5378 4.5378 10.4327 10.4327 10.7116 10.7116 11.1357 11.1357 11.3194 11.3194 11.5009 11.5009 12.0524 12.0524 12.1169 12.1169 12.2915 12.2915 12.9869 12.9869 13.0875 13.0875 13.1445 13.1445 13.6980 13.6980 14.0292 14.0292 14.3195 14.3195 14.3667 14.3667 16.9400 16.9400 17.3003 17.3003 18.7751 18.7751 19.1167 19.1167 k =-0.1188 0.1153 0.1655 ( 2421 PWs) bands (ev): -64.8604 -64.8604 -34.4705 -34.4705 -33.2100 -33.2100 -33.2018 -33.2018 -0.5551 -0.5551 -0.5532 -0.5532 -0.1124 -0.1124 -0.0929 -0.0929 -0.0879 -0.0879 4.4825 4.4825 10.4753 10.4753 10.7176 10.7176 11.1255 11.1255 11.3082 11.3082 11.4738 11.4738 12.0866 12.0866 12.1317 12.1317 12.2866 12.2866 13.0127 13.0127 13.1076 13.1076 13.1845 13.1845 13.6950 13.6950 14.0056 14.0056 14.3242 14.3242 14.3758 14.3758 17.0301 17.0301 17.4185 17.4185 18.8172 18.8172 19.1848 19.1848 k =-0.1122 0.1089 0.1563 ( 2421 PWs) bands (ev): -64.8604 -64.8604 -34.4705 -34.4705 -33.2099 -33.2099 -33.2017 -33.2017 -0.5554 -0.5554 -0.5534 -0.5534 -0.1127 -0.1127 -0.0930 -0.0930 -0.0883 -0.0883 4.4300 4.4300 10.5165 10.5165 10.7248 10.7248 11.1143 11.1143 11.2966 11.2966 11.4468 11.4468 12.1175 12.1175 12.1466 12.1466 12.2819 12.2819 13.0405 13.0405 13.1280 13.1280 13.2242 13.2242 13.6922 13.6922 13.9815 13.9815 14.3291 14.3291 14.3845 14.3845 17.1212 17.1212 17.5381 17.5381 18.8527 18.8527 19.2531 19.2531 k =-0.1056 0.1025 0.1471 ( 2415 PWs) bands (ev): -64.8604 -64.8604 -34.4704 -34.4704 -33.2099 -33.2099 -33.2017 -33.2017 -0.5557 -0.5557 -0.5536 -0.5536 -0.1130 -0.1130 -0.0932 -0.0932 -0.0887 -0.0887 4.3802 4.3802 10.5562 10.5562 10.7331 10.7331 11.1026 11.1026 11.2848 11.2848 11.4200 11.4200 12.1441 12.1441 12.1622 12.1622 12.2778 12.2778 13.0702 13.0702 13.1487 13.1487 13.2632 13.2632 13.6894 13.6894 13.9570 13.9570 14.3341 14.3341 14.3927 14.3927 17.2137 17.2137 17.6586 17.6586 18.8820 18.8820 19.3206 19.3206 k =-0.0990 0.0961 0.1379 ( 2419 PWs) bands (ev): -64.8604 -64.8604 -34.4704 -34.4704 -33.2099 -33.2099 -33.2017 -33.2017 -0.5560 -0.5560 -0.5538 -0.5538 -0.1132 -0.1132 -0.0933 -0.0933 -0.0891 -0.0891 4.3333 4.3333 10.5944 10.5944 10.7424 10.7424 11.0906 11.0906 11.2727 11.2727 11.3932 11.3932 12.1645 12.1645 12.1795 12.1795 12.2744 12.2744 13.1017 13.1017 13.1698 13.1698 13.3010 13.3010 13.6866 13.6866 13.9320 13.9320 14.3392 14.3392 14.4005 14.4005 17.3078 17.3078 17.7795 17.7795 18.9056 18.9056 19.3861 19.3861 k =-0.0924 0.0897 0.1287 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4704 -34.4704 -33.2098 -33.2098 -33.2017 -33.2017 -0.5563 -0.5563 -0.5540 -0.5540 -0.1135 -0.1135 -0.0935 -0.0935 -0.0894 -0.0894 4.2894 4.2894 10.6310 10.6310 10.7528 10.7528 11.0787 11.0787 11.2605 11.2605 11.3666 11.3666 12.1798 12.1798 12.1970 12.1970 12.2721 12.2721 13.1347 13.1347 13.1914 13.1914 13.3373 13.3373 13.6836 13.6836 13.9068 13.9068 14.3443 14.3443 14.4078 14.4078 17.4038 17.4038 17.9005 17.9005 18.9242 18.9242 19.4483 19.4483 k =-0.0858 0.0832 0.1195 ( 2417 PWs) bands (ev): -64.8604 -64.8604 -34.4704 -34.4704 -33.2098 -33.2098 -33.2017 -33.2017 -0.5565 -0.5565 -0.5542 -0.5542 -0.1137 -0.1137 -0.0936 -0.0936 -0.0898 -0.0898 4.2483 4.2483 10.6659 10.6659 10.7642 10.7642 11.0670 11.0670 11.2481 11.2481 11.3402 11.3402 12.1926 12.1926 12.2119 12.2119 12.2716 12.2716 13.1685 13.1685 13.2137 13.2137 13.3718 13.3718 13.6804 13.6804 13.8812 13.8812 14.3496 14.3496 14.4147 14.4147 17.5020 17.5020 18.0210 18.0210 18.9383 18.9383 19.5054 19.5054 k =-0.0792 0.0768 0.1103 ( 2427 PWs) bands (ev): -64.8604 -64.8604 -34.4704 -34.4704 -33.2098 -33.2098 -33.2016 -33.2016 -0.5568 -0.5568 -0.5544 -0.5544 -0.1140 -0.1140 -0.0938 -0.0938 -0.0901 -0.0901 4.2101 4.2101 10.6992 10.6992 10.7766 10.7766 11.0558 11.0558 11.2358 11.2358 11.3140 11.3140 12.2037 12.2037 12.2224 12.2224 12.2736 12.2736 13.2023 13.2023 13.2371 13.2371 13.4042 13.4042 13.6768 13.6768 13.8554 13.8554 14.3548 14.3548 14.4211 14.4211 17.6026 17.6026 18.1402 18.1402 18.9488 18.9488 19.5555 19.5555 k =-0.0726 0.0704 0.1011 ( 2427 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2098 -33.2098 -33.2016 -33.2016 -0.5570 -0.5570 -0.5545 -0.5545 -0.1143 -0.1143 -0.0940 -0.0940 -0.0904 -0.0904 4.1750 4.1750 10.7306 10.7306 10.7900 10.7900 11.0451 11.0451 11.2234 11.2234 11.2881 11.2881 12.2131 12.2131 12.2290 12.2290 12.2782 12.2782 13.2348 13.2348 13.2626 13.2626 13.4343 13.4343 13.6728 13.6728 13.8295 13.8295 14.3600 14.3600 14.4269 14.4269 17.7057 17.7057 18.2573 18.2573 18.9563 18.9563 19.5961 19.5961 k =-0.0660 0.0640 0.0920 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5572 -0.5572 -0.5546 -0.5546 -0.1144 -0.1144 -0.0941 -0.0941 -0.0906 -0.0906 4.1428 4.1428 10.7600 10.7600 10.8043 10.8043 11.0352 11.0352 11.2111 11.2111 11.2625 11.2625 12.2196 12.2196 12.2339 12.2339 12.2846 12.2846 13.2643 13.2643 13.2912 13.2912 13.4620 13.4620 13.6683 13.6683 13.8036 13.8036 14.3651 14.3651 14.4324 14.4324 17.8115 17.8115 18.3714 18.3714 18.9614 18.9614 19.6244 19.6244 k =-0.0594 0.0576 0.0828 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5574 -0.5574 -0.5547 -0.5547 -0.1146 -0.1146 -0.0943 -0.0943 -0.0908 -0.0908 4.1136 4.1136 10.7873 10.7873 10.8197 10.8197 11.0260 11.0260 11.1989 11.1989 11.2374 11.2374 12.2222 12.2222 12.2397 12.2397 12.2915 12.2915 13.2908 13.2908 13.3225 13.3225 13.4869 13.4869 13.6630 13.6630 13.7778 13.7778 14.3700 14.3700 14.4373 14.4373 17.9200 17.9200 18.4811 18.4811 18.9648 18.9648 19.6375 19.6375 k =-0.0528 0.0512 0.0736 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5576 -0.5576 -0.5549 -0.5549 -0.1148 -0.1148 -0.0944 -0.0944 -0.0910 -0.0910 4.0875 4.0875 10.8120 10.8120 10.8364 10.8364 11.0177 11.0177 11.1868 11.1868 11.2129 11.2129 12.2222 12.2222 12.2460 12.2460 12.2980 12.2980 13.3158 13.3158 13.3547 13.3547 13.5092 13.5092 13.6569 13.6569 13.7524 13.7524 14.3748 14.3748 14.4417 14.4417 18.0310 18.0310 18.5850 18.5850 18.9671 18.9671 19.6325 19.6325 k =-0.0462 0.0448 0.0644 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5578 -0.5578 -0.5550 -0.5550 -0.1150 -0.1150 -0.0946 -0.0946 -0.0912 -0.0912 4.0644 4.0644 10.8340 10.8340 10.8543 10.8543 11.0104 11.0104 11.1748 11.1748 11.1892 11.1892 12.2210 12.2210 12.2521 12.2521 12.3038 12.3038 13.3401 13.3401 13.3864 13.3864 13.5285 13.5285 13.6495 13.6495 13.7277 13.7277 14.3792 14.3792 14.4456 14.4456 18.1445 18.1445 18.6813 18.6813 18.9691 18.9691 19.6075 19.6075 k =-0.0396 0.0384 0.0552 ( 2423 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5579 -0.5579 -0.5550 -0.5550 -0.1151 -0.1151 -0.0947 -0.0947 -0.0913 -0.0913 4.0444 4.0444 10.8534 10.8534 10.8728 10.8728 11.0041 11.0041 11.1616 11.1616 11.1679 11.1679 12.2194 12.2194 12.2574 12.2574 12.3089 12.3089 13.3643 13.3643 13.4167 13.4167 13.5447 13.5447 13.6404 13.6404 13.7042 13.7042 14.3832 14.3832 14.4489 14.4489 18.2603 18.2603 18.7677 18.7677 18.9718 18.9718 19.5622 19.5622 k =-0.0330 0.0320 0.0460 ( 2427 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5581 -0.5581 -0.5551 -0.5551 -0.1152 -0.1152 -0.0948 -0.0948 -0.0915 -0.0915 4.0274 4.0274 10.8708 10.8708 10.8909 10.8909 10.9990 10.9990 11.1421 11.1421 11.1545 11.1545 12.2178 12.2178 12.2619 12.2619 12.3132 12.3132 13.3884 13.3884 13.4453 13.4453 13.5575 13.5575 13.6290 13.6290 13.6831 13.6831 14.3868 14.3868 14.4517 14.4517 18.3778 18.3778 18.8406 18.8406 18.9775 18.9775 19.4981 19.4981 k =-0.0264 0.0256 0.0368 ( 2417 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5582 -0.5582 -0.5552 -0.5552 -0.1153 -0.1153 -0.0948 -0.0948 -0.0915 -0.0915 4.0135 4.0135 10.8867 10.8867 10.9074 10.9074 10.9952 10.9952 11.1217 11.1217 11.1443 11.1443 12.2164 12.2164 12.2655 12.2655 12.3168 12.3168 13.4125 13.4125 13.4716 13.4716 13.5661 13.5661 13.6148 13.6148 13.6656 13.6656 14.3898 14.3898 14.4542 14.4542 18.4965 18.4965 18.8943 18.8943 18.9907 18.9907 19.4180 19.4180 k =-0.0198 0.0192 0.0276 ( 2409 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5582 -0.5582 -0.5552 -0.5552 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 4.0027 4.0027 10.9008 10.9008 10.9214 10.9214 10.9929 10.9929 11.1031 11.1031 11.1357 11.1357 12.2152 12.2152 12.2683 12.2683 12.3195 12.3195 13.4364 13.4364 13.4953 13.4953 13.5693 13.5693 13.5986 13.5986 13.6525 13.6525 14.3923 14.3923 14.4561 14.4561 18.6152 18.6152 18.9238 18.9238 19.0152 19.0152 19.3254 19.3254 k =-0.0132 0.0128 0.0184 ( 2405 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5582 -0.5582 -0.5552 -0.5552 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 3.9949 3.9949 10.9122 10.9122 10.9322 10.9322 10.9920 10.9920 11.0875 11.0875 11.1290 11.1290 12.2143 12.2143 12.2702 12.2702 12.3215 12.3215 13.4594 13.4594 13.5156 13.5156 13.5639 13.5639 13.5847 13.5847 13.6439 13.6439 14.3941 14.3941 14.4574 14.4574 18.7312 18.7312 18.9380 18.9380 19.0425 19.0425 19.2241 19.2241 k =-0.0066 0.0064 0.0092 ( 2399 PWs) bands (ev): -64.8603 -64.8603 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5583 -0.5583 -0.5552 -0.5552 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 3.9903 3.9903 10.9197 10.9197 10.9391 10.9391 10.9922 10.9922 11.0766 11.0766 11.1246 11.1246 12.2138 12.2138 12.2714 12.2714 12.3227 12.3227 13.4798 13.4798 13.5291 13.5291 13.5531 13.5531 13.5755 13.5755 13.6393 13.6393 14.3953 14.3953 14.4582 14.4582 18.8341 18.8341 18.9548 18.9548 19.0600 19.0600 19.1202 19.1202 k = 0.0000 0.0000 0.0000 ( 2397 PWs) bands (ev): -64.8603 -64.8603 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5583 -0.5583 -0.5552 -0.5552 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 3.9888 3.9888 10.9223 10.9223 10.9414 10.9414 10.9925 10.9925 11.0726 11.0726 11.1231 11.1231 12.2136 12.2136 12.2718 12.2718 12.3231 12.3231 13.4901 13.4901 13.5300 13.5300 13.5514 13.5514 13.5706 13.5706 13.6380 13.6380 14.3957 14.3957 14.4585 14.4585 18.8795 18.8795 19.0118 19.0118 19.0133 19.0133 19.0755 19.0755 k = 0.0000 0.0000 0.0000 ( 2397 PWs) bands (ev): -64.8603 -64.8603 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5583 -0.5583 -0.5552 -0.5552 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 3.9888 3.9888 10.9223 10.9223 10.9414 10.9414 10.9925 10.9925 11.0726 11.0726 11.1231 11.1231 12.2136 12.2136 12.2718 12.2718 12.3231 12.3231 13.4901 13.4901 13.5300 13.5300 13.5514 13.5514 13.5706 13.5706 13.6380 13.6380 14.3957 14.3957 14.4585 14.4585 18.8795 18.8795 19.0118 19.0118 19.0133 19.0133 19.0755 19.0755 k = 0.0089 0.0092-0.0000 ( 2413 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5583 -0.5583 -0.5553 -0.5553 -0.1155 -0.1155 -0.0950 -0.0950 -0.0917 -0.0917 3.9903 3.9903 10.9228 10.9228 10.9410 10.9410 10.9881 10.9881 11.0730 11.0730 11.1271 11.1271 12.2129 12.2129 12.2718 12.2718 12.3231 12.3231 13.4900 13.4900 13.5287 13.5287 13.5363 13.5363 13.5772 13.5772 13.6441 13.6441 14.3954 14.3954 14.4580 14.4580 18.8568 18.8568 18.9423 18.9423 19.0083 19.0083 19.1673 19.1673 k = 0.0179 0.0184-0.0000 ( 2413 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2096 -33.2096 -33.2015 -33.2015 -0.5583 -0.5583 -0.5552 -0.5552 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 3.9948 3.9948 10.9243 10.9243 10.9387 10.9387 10.9775 10.9775 11.0745 11.0745 11.1377 11.1377 12.2111 12.2111 12.2723 12.2723 12.3232 12.3232 13.4899 13.4899 13.5101 13.5101 13.5251 13.5251 13.5803 13.5803 13.6600 13.6600 14.3948 14.3948 14.4567 14.4567 18.7733 18.7733 18.9003 18.9003 18.9931 18.9931 19.2916 19.2916 k = 0.0268 0.0276-0.0000 ( 2413 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2096 -33.2096 -33.2016 -33.2016 -0.5583 -0.5583 -0.5551 -0.5551 -0.1154 -0.1154 -0.0949 -0.0949 -0.0916 -0.0916 4.0023 4.0023 10.9269 10.9269 10.9302 10.9302 10.9677 10.9677 11.0769 11.0769 11.1523 11.1523 12.2080 12.2080 12.2729 12.2729 12.3235 12.3235 13.4806 13.4806 13.4896 13.4896 13.5190 13.5190 13.5773 13.5773 13.6809 13.6809 14.3940 14.3940 14.4546 14.4546 18.6675 18.6675 18.8733 18.8733 18.9677 18.9677 19.4219 19.4219 k = 0.0357 0.0368-0.0000 ( 2413 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2096 -33.2096 -33.2016 -33.2016 -0.5582 -0.5582 -0.5550 -0.5550 -0.1153 -0.1153 -0.0948 -0.0948 -0.0915 -0.0915 4.0129 4.0129 10.9116 10.9116 10.9304 10.9304 10.9646 10.9646 11.0804 11.0804 11.1688 11.1688 12.2035 12.2035 12.2739 12.2739 12.3239 12.3239 13.4493 13.4493 13.4892 13.4892 13.5106 13.5106 13.5703 13.5703 13.7031 13.7031 14.3927 14.3927 14.4516 14.4516 18.5606 18.5606 18.8416 18.8416 18.9322 18.9322 19.5562 19.5562 k = 0.0446 0.0460-0.0000 ( 2413 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2096 -33.2096 -33.2016 -33.2016 -0.5582 -0.5582 -0.5548 -0.5548 -0.1152 -0.1152 -0.0946 -0.0946 -0.0914 -0.0914 4.0264 4.0264 10.8859 10.8859 10.9350 10.9350 10.9664 10.9664 11.0847 11.0847 11.1861 11.1861 12.1976 12.1976 12.2751 12.2751 12.3245 12.3245 13.4170 13.4170 13.4883 13.4883 13.5003 13.5003 13.5601 13.5601 13.7252 13.7252 14.3911 14.3911 14.4477 14.4477 18.4562 18.4562 18.8020 18.8020 18.8868 18.8868 19.6936 19.6936 k = 0.0536 0.0552-0.0000 ( 2413 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5582 -0.5582 -0.5547 -0.5547 -0.1151 -0.1151 -0.0945 -0.0945 -0.0912 -0.0912 4.0429 4.0429 10.8560 10.8560 10.9406 10.9406 10.9707 10.9707 11.0901 11.0901 11.2036 11.2036 12.1901 12.1901 12.2766 12.2766 12.3253 12.3253 13.3840 13.3840 13.4834 13.4834 13.4917 13.4917 13.5473 13.5473 13.7465 13.7465 14.3892 14.3892 14.4429 14.4429 18.3549 18.3549 18.7538 18.7538 18.8317 18.8317 19.8334 19.8334 k = 0.0625 0.0644-0.0000 ( 2409 PWs) bands (ev): -64.8604 -64.8604 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5581 -0.5581 -0.5544 -0.5544 -0.1150 -0.1150 -0.0943 -0.0943 -0.0910 -0.0910 4.0624 4.0624 10.8233 10.8233 10.9472 10.9472 10.9767 10.9767 11.0963 11.0963 11.2211 11.2211 12.1809 12.1809 12.2785 12.2785 12.3264 12.3264 13.3508 13.3508 13.4697 13.4697 13.4896 13.4896 13.5322 13.5322 13.7667 13.7667 14.3869 14.3869 14.4374 14.4374 18.2570 18.2570 18.6969 18.6969 18.7675 18.7675 19.9744 19.9744 k = 0.0714 0.0736-0.0000 ( 2401 PWs) bands (ev): -64.8603 -64.8603 -34.4703 -34.4703 -33.2097 -33.2097 -33.2016 -33.2016 -0.5580 -0.5580 -0.5542 -0.5542 -0.1148 -0.1148 -0.0940 -0.0940 -0.0908 -0.0908 4.0849 4.0849 10.7882 10.7882 10.9548 10.9548 10.9838 10.9838 11.1036 11.1036 11.2385 11.2385 12.1699 12.1699 12.2806 12.2806 12.3278 12.3278 13.3177 13.3177 13.4526 13.4526 13.4888 13.4888 13.5148 13.5148 13.7856 13.7856 14.3844 14.3844 14.4310 14.4310 18.1625 18.1625 18.6315 18.6315 18.6947 18.6947 20.1153 20.1153 k = 0.0804 0.0828-0.0000 ( 2401 PWs) bands (ev): -64.8603 -64.8603 -34.4703 -34.4703 -33.2097 -33.2097 -33.2017 -33.2017 -0.5579 -0.5579 -0.5539 -0.5539 -0.1146 -0.1146 -0.0938 -0.0938 -0.0906 -0.0906 4.1104 4.1104 10.7511 10.7511 10.9634 10.9634 10.9922 10.9922 11.1117 11.1117 11.2556 11.2556 12.1568 12.1568 12.2830 12.2830 12.3295 12.3295 13.2848 13.2848 13.4333 13.4333 13.4881 13.4881 13.4954 13.4954 13.8032 13.8032 14.3816 14.3816 14.4238 14.4238 18.0712 18.0712 18.5581 18.5581 18.6143 18.6143 20.0849 20.0849 k = 0.0893 0.0920-0.0000 ( 2401 PWs) bands (ev): -64.8603 -64.8603 -34.4703 -34.4703 -33.2097 -33.2097 -33.2017 -33.2017 -0.5578 -0.5578 -0.5536 -0.5536 -0.1145 -0.1145 -0.0936 -0.0936 -0.0904 -0.0904 4.1388 4.1388 10.7120 10.7120 10.9730 10.9730 11.0016 11.0016 11.1208 11.1208 11.2724 11.2724 12.1416 12.1416 12.2857 12.2857 12.3315 12.3315 13.2526 13.2526 13.4120 13.4120 13.4741 13.4741 13.4875 13.4875 13.8194 13.8194 14.3785 14.3785 14.4157 14.4157 17.9831 17.9831 18.4774 18.4774 18.5271 18.5271 20.0195 20.0195 k = 0.0982 0.1012-0.0000 ( 2393 PWs) bands (ev): -64.8603 -64.8603 -34.4704 -34.4704 -33.2097 -33.2097 -33.2017 -33.2017 -0.5577 -0.5577 -0.5532 -0.5532 -0.1143 -0.1143 -0.0932 -0.0932 -0.0901 -0.0901 4.1701 4.1701 10.6712 10.6712 10.9835 10.9835 11.0120 11.0120 11.1308 11.1308 11.2889 11.2889 12.1242 12.1242 12.2888 12.2888 12.3340 12.3340 13.2213 13.2213 13.3890 13.3890 13.4510 13.4510 13.4868 13.4868 13.8341 13.8341 14.3752 14.3752 14.4068 14.4068 17.8978 17.8978 18.3902 18.3902 18.4339 18.4339 19.9553 19.9553 k = 0.1071 0.1104-0.0000 ( 2385 PWs) bands (ev): -64.8603 -64.8603 -34.4704 -34.4704 -33.2097 -33.2097 -33.2017 -33.2017 -0.5576 -0.5576 -0.5528 -0.5528 -0.1141 -0.1141 -0.0929 -0.0929 -0.0898 -0.0898 4.2044 4.2044 10.6288 10.6288 10.9951 10.9951 11.0235 11.0235 11.1417 11.1417 11.3052 11.3052 12.1044 12.1044 12.2922 12.2922 12.3369 12.3369 13.1912 13.1912 13.3644 13.3644 13.4263 13.4263 13.4861 13.4861 13.8475 13.8475 14.3717 14.3717 14.3970 14.3970 17.8153 17.8153 18.2973 18.2973 18.3357 18.3357 19.8927 19.8927 k = 0.1161 0.1196-0.0000 ( 2385 PWs) bands (ev): -64.8603 -64.8603 -34.4704 -34.4704 -33.2097 -33.2097 -33.2018 -33.2018 -0.5575 -0.5575 -0.5525 -0.5525 -0.1139 -0.1139 -0.0926 -0.0926 -0.0896 -0.0896 4.2415 4.2415 10.5847 10.5847 11.0076 11.0076 11.0359 11.0359 11.1534 11.1534 11.3212 11.3212 12.0821 12.0821 12.2959 12.2959 12.3401 12.3401 13.1624 13.1624 13.3383 13.3383 13.4001 13.4001 13.4854 13.4854 13.8594 13.8594 14.3678 14.3678 14.3865 14.3865 17.7352 17.7352 18.1995 18.1995 18.2334 18.2334 19.8321 19.8321 k = 0.1250 0.1288-0.0000 ( 2401 PWs) bands (ev): -64.8603 -64.8603 -34.4704 -34.4704 -33.2097 -33.2097 -33.2018 -33.2018 -0.5575 -0.5575 -0.5521 -0.5521 -0.1137 -0.1137 -0.0923 -0.0923 -0.0893 -0.0893 4.2815 4.2815 10.5393 10.5393 11.0210 11.0210 11.0494 11.0494 11.1660 11.1660 11.3368 11.3368 12.0573 12.0573 12.2999 12.2999 12.3437 12.3437 13.1353 13.1353 13.3108 13.3108 13.3725 13.3725 13.4846 13.4846 13.8699 13.8699 14.3637 14.3637 14.3751 14.3751 17.6573 17.6573 18.0976 18.0976 18.1275 18.1275 19.7736 19.7736 k = 0.1339 0.1380-0.0000 ( 2393 PWs) bands (ev): -64.8603 -64.8603 -34.4704 -34.4704 -33.2098 -33.2098 -33.2018 -33.2018 -0.5574 -0.5574 -0.5517 -0.5517 -0.1135 -0.1135 -0.0918 -0.0918 -0.0891 -0.0891 4.3244 4.3244 10.4925 10.4925 11.0354 11.0354 11.0638 11.0638 11.1795 11.1795 11.3521 11.3521 12.0300 12.0300 12.3043 12.3043 12.3479 12.3479 13.1099 13.1099 13.2821 13.2821 13.3437 13.3437 13.4838 13.4838 13.8791 13.8791 14.3594 14.3594 14.3632 14.3632 17.5810 17.5810 17.9924 17.9924 18.0189 18.0189 19.7174 19.7174 k = 0.1429 0.1472-0.0000 ( 2413 PWs) bands (ev): -64.8603 -64.8603 -34.4704 -34.4704 -33.2098 -33.2098 -33.2019 -33.2019 -0.5574 -0.5574 -0.5514 -0.5514 -0.1134 -0.1134 -0.0915 -0.0915 -0.0889 -0.0889 4.3700 4.3700 10.4446 10.4446 11.0508 11.0508 11.0791 11.0791 11.1937 11.1937 11.3670 11.3670 12.0001 12.0001 12.3090 12.3090 12.3523 12.3523 13.0864 13.0864 13.2523 13.2523 13.3137 13.3137 13.4829 13.4829 13.8870 13.8870 14.3500 14.3500 14.3551 14.3551 17.5062 17.5062 17.8845 17.8845 17.9080 17.9080 19.6636 19.6636 k = 0.1518 0.1564-0.0000 ( 2405 PWs) bands (ev): -64.8603 -64.8603 -34.4705 -34.4705 -33.2098 -33.2098 -33.2019 -33.2019 -0.5572 -0.5572 -0.5509 -0.5509 -0.1132 -0.1132 -0.0910 -0.0910 -0.0886 -0.0886 4.4185 4.4185 10.3956 10.3956 11.0670 11.0670 11.0954 11.0954 11.2088 11.2088 11.3816 11.3816 11.9678 11.9678 12.3143 12.3143 12.3573 12.3573 13.0649 13.0649 13.2217 13.2217 13.2829 13.2829 13.4820 13.4820 13.8937 13.8937 14.3365 14.3365 14.3505 14.3505 17.4323 17.4323 17.7745 17.7745 17.7955 17.7955 19.6124 19.6124 k = 0.1607 0.1656-0.0000 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4705 -34.4705 -33.2098 -33.2098 -33.2020 -33.2020 -0.5571 -0.5571 -0.5506 -0.5506 -0.1130 -0.1130 -0.0905 -0.0905 -0.0884 -0.0884 4.4697 4.4697 10.3456 10.3456 11.0842 11.0842 11.1125 11.1125 11.2247 11.2247 11.3956 11.3956 11.9332 11.9332 12.3198 12.3198 12.3628 12.3628 13.0455 13.0455 13.1901 13.1901 13.2513 13.2513 13.4811 13.4811 13.8991 13.8991 14.3223 14.3223 14.3457 14.3457 17.3588 17.3588 17.6629 17.6629 17.6817 17.6817 19.5635 19.5635 k = 0.1696 0.1748-0.0000 ( 2413 PWs) bands (ev): -64.8603 -64.8603 -34.4705 -34.4705 -33.2098 -33.2098 -33.2020 -33.2020 -0.5571 -0.5571 -0.5501 -0.5501 -0.1129 -0.1129 -0.0900 -0.0900 -0.0882 -0.0882 4.5236 4.5236 10.2948 10.2948 11.1022 11.1022 11.1306 11.1306 11.2412 11.2412 11.4091 11.4091 11.8964 11.8964 12.3259 12.3259 12.3687 12.3687 13.0280 13.0280 13.1578 13.1578 13.2190 13.2190 13.4802 13.4802 13.9033 13.9033 14.3073 14.3073 14.3408 14.3408 17.2853 17.2853 17.5503 17.5503 17.5670 17.5670 19.5171 19.5171 k = 0.1786 0.1840-0.0000 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4705 -34.4705 -33.2098 -33.2098 -33.2020 -33.2020 -0.5570 -0.5570 -0.5497 -0.5497 -0.1127 -0.1127 -0.0894 -0.0894 -0.0879 -0.0879 4.5802 4.5802 10.2434 10.2434 11.1210 11.1210 11.1495 11.1495 11.2585 11.2585 11.4221 11.4221 11.8575 11.8575 12.3325 12.3325 12.3753 12.3753 13.0124 13.0124 13.1249 13.1249 13.1861 13.1861 13.4792 13.4792 13.9064 13.9064 14.2917 14.2917 14.3360 14.3360 17.2112 17.2112 17.4370 17.4370 17.4519 17.4519 19.4731 19.4731 k = 0.1875 0.1932-0.0000 ( 2421 PWs) bands (ev): -64.8604 -64.8604 -34.4706 -34.4706 -33.2099 -33.2099 -33.2021 -33.2021 -0.5569 -0.5569 -0.5493 -0.5493 -0.1126 -0.1126 -0.0889 -0.0889 -0.0877 -0.0877 4.6394 4.6394 10.1914 10.1914 11.1407 11.1407 11.1692 11.1692 11.2765 11.2765 11.4343 11.4343 11.8169 11.8169 12.3394 12.3394 12.3822 12.3822 12.9987 12.9987 13.0916 13.0916 13.1529 13.1529 13.4782 13.4782 13.9084 13.9084 14.2754 14.2754 14.3308 14.3308 17.1359 17.1359 17.3234 17.3234 17.3365 17.3365 19.4313 19.4313 k = 0.1964 0.2024-0.0000 ( 2429 PWs) bands (ev): -64.8604 -64.8604 -34.4706 -34.4706 -33.2099 -33.2099 -33.2021 -33.2021 -0.5568 -0.5568 -0.5490 -0.5490 -0.1125 -0.1125 -0.0883 -0.0883 -0.0876 -0.0876 4.7012 4.7012 10.1390 10.1390 11.1612 11.1612 11.1898 11.1898 11.2952 11.2952 11.4457 11.4457 11.7747 11.7747 12.3468 12.3468 12.3897 12.3897 12.9865 12.9865 13.0578 13.0578 13.1196 13.1196 13.4772 13.4772 13.9094 13.9094 14.2585 14.2585 14.3256 14.3256 17.0586 17.0586 17.2098 17.2098 17.2212 17.2212 19.3919 19.3919 k = 0.2054 0.2116-0.0000 ( 2429 PWs) bands (ev): -64.8604 -64.8604 -34.4706 -34.4706 -33.2099 -33.2099 -33.2022 -33.2022 -0.5567 -0.5567 -0.5486 -0.5486 -0.1123 -0.1123 -0.0878 -0.0878 -0.0873 -0.0873 4.7655 4.7655 10.0864 10.0864 11.1824 11.1824 11.2112 11.2112 11.3144 11.3144 11.4562 11.4562 11.7313 11.7313 12.3548 12.3548 12.3978 12.3978 12.9757 12.9757 13.0238 13.0238 13.0866 13.0866 13.4762 13.4762 13.9095 13.9095 14.2410 14.2410 14.3203 14.3203 16.9788 16.9788 17.0969 17.0969 17.1062 17.1062 19.3547 19.3547 k = 0.2143 0.2208-0.0000 ( 2437 PWs) bands (ev): -64.8604 -64.8604 -34.4706 -34.4706 -33.2099 -33.2099 -33.2022 -33.2022 -0.5566 -0.5566 -0.5482 -0.5482 -0.1122 -0.1122 -0.0875 -0.0875 -0.0869 -0.0869 4.8323 4.8323 10.0335 10.0335 11.2044 11.2044 11.2333 11.2333 11.3343 11.3343 11.4657 11.4657 11.6868 11.6868 12.3633 12.3633 12.4064 12.4064 12.9656 12.9656 12.9897 12.9897 13.0543 13.0543 13.4752 13.4752 13.9086 13.9086 14.2229 14.2229 14.3148 14.3148 16.8953 16.8953 16.9851 16.9851 16.9917 16.9917 19.2534 19.2534 k = 0.2232 0.2300-0.0000 ( 2441 PWs) bands (ev): -64.8604 -64.8604 -34.4707 -34.4707 -33.2099 -33.2099 -33.2023 -33.2023 -0.5565 -0.5565 -0.5479 -0.5479 -0.1120 -0.1120 -0.0874 -0.0874 -0.0863 -0.0863 4.9014 4.9014 9.9807 9.9807 11.2269 11.2269 11.2561 11.2561 11.3546 11.3546 11.4740 11.4740 11.6416 11.6416 12.3724 12.3724 12.4157 12.4157 12.9548 12.9548 12.9555 12.9555 13.0239 13.0239 13.4742 13.4742 13.9069 13.9069 14.2043 14.2043 14.3093 14.3093 16.8074 16.8074 16.8752 16.8752 16.8779 16.8779 19.1113 19.1113 k = 0.2321 0.2392-0.0000 ( 2441 PWs) bands (ev): -64.8604 -64.8604 -34.4707 -34.4707 -33.2100 -33.2100 -33.2023 -33.2023 -0.5564 -0.5564 -0.5475 -0.5475 -0.1119 -0.1119 -0.0873 -0.0873 -0.0857 -0.0857 4.9729 4.9729 9.9279 9.9279 11.2500 11.2500 11.2797 11.2797 11.3754 11.3754 11.4810 11.4810 11.5961 11.5961 12.3821 12.3821 12.4256 12.4256 12.9212 12.9212 12.9410 12.9410 12.9983 12.9983 13.4731 13.4731 13.9044 13.9044 14.1853 14.1853 14.3037 14.3037 16.7135 16.7135 16.7644 16.7644 16.7688 16.7688 18.9776 18.9776 k = 0.2411 0.2484-0.0000 ( 2441 PWs) bands (ev): -64.8604 -64.8604 -34.4707 -34.4707 -33.2100 -33.2100 -33.2024 -33.2024 -0.5563 -0.5563 -0.5472 -0.5472 -0.1118 -0.1118 -0.0872 -0.0872 -0.0850 -0.0850 5.0466 5.0466 9.8753 9.8753 11.2734 11.2734 11.3038 11.3038 11.3966 11.3966 11.4865 11.4865 11.5506 11.5506 12.3924 12.3924 12.4361 12.4361 12.8870 12.8870 12.9202 12.9202 12.9808 12.9808 13.4721 13.4721 13.9012 13.9012 14.1657 14.1657 14.2981 14.2981 16.6134 16.6134 16.6524 16.6524 16.6656 16.6656 18.8529 18.8529 k = 0.2500 0.2576-0.0000 ( 2433 PWs) bands (ev): -64.8604 -64.8604 -34.4707 -34.4707 -33.2100 -33.2100 -33.2024 -33.2024 -0.5562 -0.5562 -0.5468 -0.5468 -0.1116 -0.1116 -0.0871 -0.0871 -0.0843 -0.0843 5.1225 5.1225 9.8230 9.8230 11.2967 11.2967 11.3285 11.3285 11.4179 11.4179 11.4905 11.4905 11.5060 11.5060 12.4034 12.4034 12.4474 12.4474 12.8530 12.8530 12.8928 12.8928 12.9713 12.9713 13.4711 13.4711 13.8973 13.8973 14.1459 14.1459 14.2923 14.2923 16.5087 16.5087 16.5414 16.5414 16.5644 16.5644 18.7376 18.7376 k = 0.2589 0.2668-0.0000 ( 2425 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2100 -33.2100 -33.2024 -33.2024 -0.5561 -0.5561 -0.5465 -0.5465 -0.1115 -0.1115 -0.0871 -0.0871 -0.0836 -0.0836 5.2005 5.2005 9.7711 9.7711 11.3189 11.3189 11.3538 11.3538 11.4369 11.4369 11.4659 11.4659 11.4927 11.4927 12.4151 12.4151 12.4593 12.4593 12.8192 12.8192 12.8619 12.8619 12.9665 12.9665 13.4701 13.4701 13.8927 13.8927 14.1256 14.1256 14.2865 14.2865 16.4019 16.4019 16.4316 16.4316 16.4630 16.4630 18.6318 18.6318 k = 0.2679 0.2760-0.0000 ( 2425 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2100 -33.2100 -33.2025 -33.2025 -0.5560 -0.5560 -0.5462 -0.5462 -0.1114 -0.1114 -0.0871 -0.0871 -0.0829 -0.0829 5.2804 5.2804 9.7196 9.7196 11.3358 11.3358 11.3795 11.3795 11.4215 11.4215 11.4664 11.4664 11.4929 11.4929 12.4274 12.4274 12.4720 12.4720 12.7857 12.7857 12.8297 12.8297 12.9644 12.9644 13.4691 13.4691 13.8875 13.8875 14.1050 14.1050 14.2806 14.2806 16.2945 16.2945 16.3231 16.3231 16.3605 16.3605 18.5355 18.5355 k = 0.2768 0.2852-0.0000 ( 2425 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2101 -33.2101 -33.2025 -33.2025 -0.5559 -0.5559 -0.5459 -0.5459 -0.1113 -0.1113 -0.0871 -0.0871 -0.0822 -0.0822 5.3622 5.3622 9.6687 9.6687 11.3319 11.3319 11.4055 11.4055 11.4075 11.4075 11.4877 11.4877 11.4911 11.4911 12.4404 12.4404 12.4854 12.4854 12.7525 12.7525 12.7969 12.7969 12.9639 12.9639 13.4681 13.4681 13.8818 13.8818 14.0841 14.0841 14.2745 14.2745 16.1873 16.1873 16.2161 16.2161 16.2567 16.2567 18.4485 18.4485 k = 0.2857 0.2944-0.0000 ( 2425 PWs) bands (ev): -64.8603 -64.8603 -34.4708 -34.4708 -33.2101 -33.2101 -33.2026 -33.2026 -0.5559 -0.5559 -0.5456 -0.5456 -0.1112 -0.1112 -0.0872 -0.0872 -0.0815 -0.0815 5.4457 5.4457 9.6184 9.6184 11.3007 11.3007 11.4206 11.4206 11.4316 11.4316 11.4874 11.4874 11.5103 11.5103 12.4542 12.4542 12.4996 12.4996 12.7198 12.7198 12.7640 12.7640 12.9646 12.9646 13.4671 13.4671 13.8757 13.8757 14.0631 14.0631 14.2683 14.2683 16.0807 16.0807 16.1106 16.1106 16.1520 16.1520 18.3702 18.3702 k = 0.2946 0.3036-0.0000 ( 2413 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2101 -33.2101 -33.2026 -33.2026 -0.5558 -0.5558 -0.5453 -0.5453 -0.1111 -0.1111 -0.0872 -0.0872 -0.0807 -0.0807 5.5308 5.5308 9.5688 9.5688 11.2609 11.2609 11.4434 11.4434 11.4560 11.4560 11.4832 11.4832 11.5333 11.5333 12.4686 12.4686 12.5147 12.5147 12.6876 12.6876 12.7313 12.7313 12.9663 12.9663 13.4662 13.4662 13.8691 13.8691 14.0419 14.0419 14.2619 14.2619 15.9751 15.9751 16.0069 16.0069 16.0472 16.0472 18.3001 18.3001 k = 0.3036 0.3128-0.0000 ( 2421 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2101 -33.2101 -33.2027 -33.2027 -0.5557 -0.5557 -0.5452 -0.5452 -0.1111 -0.1111 -0.0874 -0.0874 -0.0801 -0.0801 5.6173 5.6173 9.5199 9.5199 11.2194 11.2194 11.4647 11.4647 11.4690 11.4690 11.4924 11.4924 11.5564 11.5564 12.4836 12.4836 12.5304 12.5304 12.6560 12.6560 12.6988 12.6988 12.9688 12.9688 13.4652 13.4652 13.8621 13.8621 14.0206 14.0206 14.2553 14.2553 15.8706 15.8706 15.9049 15.9049 15.9431 15.9431 18.2376 18.2376 k = 0.3125 0.3220-0.0000 ( 2421 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2101 -33.2101 -33.2027 -33.2027 -0.5557 -0.5557 -0.5450 -0.5450 -0.1110 -0.1110 -0.0875 -0.0875 -0.0794 -0.0794 5.7051 5.7051 9.4717 9.4717 11.1780 11.1780 11.4552 11.4552 11.4958 11.4958 11.5172 11.5172 11.5795 11.5795 12.4991 12.4991 12.5470 12.5470 12.6253 12.6253 12.6667 12.6667 12.9719 12.9719 13.4643 13.4643 13.8548 13.8548 13.9994 13.9994 14.2486 14.2486 15.7676 15.7676 15.8049 15.8049 15.8403 15.8403 18.1821 18.1821 k = 0.3214 0.3312-0.0000 ( 2421 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2101 -33.2101 -33.2028 -33.2028 -0.5556 -0.5556 -0.5448 -0.5448 -0.1109 -0.1109 -0.0876 -0.0876 -0.0787 -0.0787 5.7940 5.7940 9.4244 9.4244 11.1374 11.1374 11.4408 11.4408 11.5232 11.5232 11.5442 11.5442 11.6027 11.6027 12.5140 12.5140 12.5643 12.5643 12.5964 12.5964 12.6351 12.6351 12.9756 12.9756 13.4634 13.4634 13.8472 13.8472 13.9783 13.9783 14.2417 14.2417 15.6663 15.6663 15.7069 15.7069 15.7397 15.7397 18.1328 18.1328 k = 0.3304 0.3404-0.0000 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2102 -33.2102 -33.2028 -33.2028 -0.5555 -0.5555 -0.5446 -0.5446 -0.1109 -0.1109 -0.0877 -0.0877 -0.0781 -0.0781 5.8837 5.8837 9.3779 9.3779 11.0980 11.0980 11.4231 11.4231 11.5509 11.5509 11.5716 11.5716 11.6257 11.6257 12.5246 12.5246 12.5733 12.5733 12.5814 12.5814 12.6051 12.6051 12.9798 12.9798 13.4626 13.4626 13.8393 13.8393 13.9573 13.9573 14.2347 14.2347 15.5673 15.5673 15.6111 15.6111 15.6418 15.6418 18.0893 18.0893 k = 0.3393 0.3496-0.0000 ( 2417 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2102 -33.2102 -33.2028 -33.2028 -0.5555 -0.5555 -0.5445 -0.5445 -0.1108 -0.1108 -0.0879 -0.0879 -0.0775 -0.0775 5.9741 5.9741 9.3322 9.3322 11.0598 11.0598 11.4023 11.4023 11.5787 11.5787 11.5992 11.5992 11.6486 11.6486 12.5168 12.5168 12.5695 12.5695 12.5710 12.5710 12.6041 12.6041 12.9843 12.9843 13.4617 13.4617 13.8312 13.8312 13.9366 13.9366 14.2273 14.2273 15.4712 15.4712 15.5176 15.5176 15.5468 15.5468 18.0508 18.0508 k = 0.3482 0.3588-0.0000 ( 2417 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2102 -33.2102 -33.2029 -33.2029 -0.5555 -0.5555 -0.5443 -0.5443 -0.1108 -0.1108 -0.0880 -0.0880 -0.0769 -0.0769 6.0649 6.0649 9.2874 9.2874 11.0231 11.0231 11.3786 11.3786 11.6065 11.6065 11.6268 11.6268 11.6712 11.6712 12.4931 12.4931 12.5409 12.5409 12.5839 12.5839 12.6233 12.6233 12.9891 12.9891 13.4610 13.4610 13.8229 13.8229 13.9163 13.9163 14.2196 14.2196 15.3785 15.3785 15.4265 15.4265 15.4552 15.4552 18.0167 18.0167 k = 0.3571 0.3680-0.0000 ( 2417 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2102 -33.2102 -33.2029 -33.2029 -0.5555 -0.5555 -0.5442 -0.5442 -0.1108 -0.1108 -0.0882 -0.0882 -0.0763 -0.0763 6.1558 6.1558 9.2434 9.2434 10.9879 10.9879 11.3521 11.3521 11.6342 11.6342 11.6544 11.6544 11.6936 11.6936 12.4660 12.4660 12.5110 12.5110 12.6026 12.6026 12.6439 12.6439 12.9942 12.9942 13.4602 13.4602 13.8144 13.8144 13.8967 13.8967 14.2116 14.2116 15.2897 15.2897 15.3381 15.3381 15.3672 15.3672 17.9867 17.9867 k = 0.3661 0.3772-0.0000 ( 2429 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2102 -33.2102 -33.2029 -33.2029 -0.5555 -0.5555 -0.5442 -0.5442 -0.1108 -0.1108 -0.0885 -0.0885 -0.0758 -0.0758 6.2465 6.2465 9.2003 9.2003 10.9545 10.9545 11.3230 11.3230 11.6616 11.6616 11.6818 11.6818 11.7156 11.7156 12.4382 12.4382 12.4816 12.4816 12.6232 12.6232 12.6653 12.6653 12.9994 12.9994 13.4595 13.4595 13.8056 13.8056 13.8776 13.8776 14.2032 14.2032 15.2051 15.2051 15.2524 15.2524 15.2831 15.2831 17.9603 17.9603 k = 0.3750 0.3864-0.0000 ( 2429 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2102 -33.2102 -33.2030 -33.2030 -0.5554 -0.5554 -0.5441 -0.5441 -0.1107 -0.1107 -0.0886 -0.0886 -0.0753 -0.0753 6.3366 6.3366 9.1580 9.1580 10.9229 10.9229 11.2916 11.2916 11.6885 11.6885 11.7089 11.7089 11.7374 11.7374 12.4106 12.4106 12.4525 12.4525 12.6448 12.6448 12.6873 12.6873 13.0047 13.0047 13.4588 13.4588 13.7966 13.7966 13.8596 13.8596 14.1947 14.1947 15.1250 15.1250 15.1698 15.1698 15.2035 15.2035 17.9371 17.9371 k = 0.3839 0.3956-0.0000 ( 2437 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2103 -33.2103 -33.2030 -33.2030 -0.5554 -0.5554 -0.5441 -0.5441 -0.1107 -0.1107 -0.0889 -0.0889 -0.0748 -0.0748 6.4256 6.4256 9.1167 9.1167 10.8931 10.8931 11.2583 11.2583 11.7146 11.7146 11.7358 11.7358 11.7590 11.7590 12.3833 12.3833 12.4240 12.4240 12.6672 12.6672 12.7099 12.7099 13.0101 13.0101 13.4581 13.4581 13.7872 13.7872 13.8428 13.8428 14.1859 14.1859 15.0492 15.0492 15.0903 15.0903 15.1288 15.1288 17.9167 17.9167 k = 0.3929 0.4048-0.0000 ( 2437 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2103 -33.2103 -33.2030 -33.2030 -0.5554 -0.5554 -0.5440 -0.5440 -0.1107 -0.1107 -0.0890 -0.0890 -0.0743 -0.0743 6.5132 6.5132 9.0763 9.0763 10.8653 10.8653 11.2235 11.2235 11.7397 11.7397 11.7625 11.7625 11.7806 11.7806 12.3564 12.3564 12.3959 12.3959 12.6901 12.6901 12.7328 12.7328 13.0155 13.0155 13.4575 13.4575 13.7774 13.7774 13.8274 13.8274 14.1769 14.1769 14.9776 14.9776 15.0144 15.0144 15.0597 15.0597 17.8988 17.8988 k = 0.4018 0.4140-0.0000 ( 2433 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2103 -33.2103 -33.2031 -33.2031 -0.5554 -0.5554 -0.5440 -0.5440 -0.1107 -0.1107 -0.0892 -0.0892 -0.0739 -0.0739 6.5987 6.5987 9.0370 9.0370 10.8395 10.8395 11.1878 11.1878 11.7633 11.7633 11.7887 11.7887 11.8025 11.8025 12.3299 12.3299 12.3683 12.3683 12.7132 12.7132 12.7557 12.7557 13.0209 13.0209 13.4570 13.4570 13.7671 13.7671 13.8137 13.8137 14.1678 14.1678 14.9099 14.9099 14.9422 14.9422 14.9970 14.9970 17.8832 17.8832 k = 0.4107 0.4232-0.0000 ( 2433 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2103 -33.2103 -33.2031 -33.2031 -0.5554 -0.5554 -0.5439 -0.5439 -0.1107 -0.1107 -0.0894 -0.0894 -0.0735 -0.0735 6.6816 6.6816 8.9987 8.9987 10.8157 10.8157 11.1517 11.1517 11.7849 11.7849 11.8147 11.8147 11.8249 11.8249 12.3039 12.3039 12.3412 12.3412 12.7363 12.7363 12.7786 12.7786 13.0261 13.0261 13.4565 13.4565 13.7563 13.7563 13.8019 13.8019 14.1588 14.1588 14.8460 14.8460 14.8742 14.8742 14.9408 14.9408 17.8696 17.8696 k = 0.4196 0.4324-0.0000 ( 2433 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2103 -33.2103 -33.2031 -33.2031 -0.5554 -0.5554 -0.5439 -0.5439 -0.1106 -0.1106 -0.0895 -0.0895 -0.0731 -0.0731 6.7611 6.7611 8.9618 8.9618 10.7941 10.7941 11.1160 11.1160 11.8043 11.8043 11.8402 11.8402 11.8481 11.8481 12.2783 12.2783 12.3145 12.3145 12.7591 12.7591 12.8011 12.8011 13.0311 13.0311 13.4560 13.4560 13.7453 13.7453 13.7917 13.7917 14.1498 14.1498 14.7859 14.7859 14.8105 14.8105 14.8915 14.8915 17.8579 17.8579 k = 0.4286 0.4416-0.0000 ( 2433 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2103 -33.2103 -33.2031 -33.2031 -0.5554 -0.5554 -0.5439 -0.5439 -0.1106 -0.1106 -0.0897 -0.0897 -0.0728 -0.0728 6.8365 6.8365 8.9265 8.9265 10.7746 10.7746 11.0814 11.0814 11.8213 11.8213 11.8655 11.8655 11.8719 11.8719 12.2532 12.2532 12.2883 12.2883 12.7813 12.7813 12.8228 12.8228 13.0360 13.0360 13.4555 13.4555 13.7343 13.7343 13.7831 13.7831 14.1411 14.1411 14.7299 14.7299 14.7517 14.7517 14.8488 14.8488 17.8478 17.8478 k = 0.4375 0.4508-0.0000 ( 2429 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2103 -33.2103 -33.2031 -33.2031 -0.5553 -0.5553 -0.5439 -0.5439 -0.1106 -0.1106 -0.0898 -0.0898 -0.0724 -0.0724 6.9068 6.9068 8.8932 8.8932 10.7574 10.7574 11.0486 11.0486 11.8362 11.8362 11.8903 11.8903 11.8960 11.8960 12.2284 12.2284 12.2625 12.2625 12.8023 12.8023 12.8433 12.8433 13.0406 13.0406 13.4552 13.4552 13.7238 13.7238 13.7759 13.7759 14.1329 14.1329 14.6786 14.6786 14.6982 14.6982 14.8124 14.8124 17.8392 17.8392 k = 0.4464 0.4600-0.0000 ( 2425 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5553 -0.5553 -0.5439 -0.5439 -0.1106 -0.1106 -0.0899 -0.0899 -0.0722 -0.0722 6.9712 6.9712 8.8622 8.8622 10.7424 10.7424 11.0183 11.0183 11.8490 11.8490 11.9148 11.9148 11.9202 11.9202 12.2040 12.2040 12.2373 12.2373 12.8220 12.8220 12.8623 12.8623 13.0448 13.0448 13.4548 13.4548 13.7142 13.7142 13.7699 13.7699 14.1254 14.1254 14.6325 14.6325 14.6505 14.6505 14.7819 14.7819 17.8321 17.8321 k = 0.4554 0.4693-0.0000 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5553 -0.5553 -0.5438 -0.5438 -0.1105 -0.1105 -0.0899 -0.0899 -0.0719 -0.0719 7.0284 7.0284 8.8342 8.8342 10.7296 10.7296 10.9913 10.9913 11.8598 11.8598 11.9389 11.9389 11.9442 11.9442 12.1800 12.1800 12.2127 12.2127 12.8397 12.8397 12.8794 12.8794 13.0487 13.0487 13.4545 13.4545 13.7056 13.7056 13.7649 13.7649 14.1187 14.1187 14.5924 14.5924 14.6090 14.6090 14.7570 14.7570 17.8262 17.8262 k = 0.4643 0.4785-0.0000 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5438 -0.5438 -0.1105 -0.1105 -0.0900 -0.0900 -0.0717 -0.0717 7.0774 7.0774 8.8099 8.8099 10.7191 10.7191 10.9682 10.9682 11.8687 11.8687 11.9626 11.9626 11.9677 11.9677 12.1564 12.1564 12.1888 12.1888 12.8549 12.8549 12.8940 12.8940 13.0520 13.0520 13.4543 13.4543 13.6984 13.6984 13.7608 13.7608 14.1129 14.1129 14.5584 14.5584 14.5742 14.5742 14.7371 14.7371 17.8214 17.8214 k = 0.4732 0.4877-0.0000 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5438 -0.5438 -0.1105 -0.1105 -0.0901 -0.0901 -0.0716 -0.0716 7.1170 7.1170 8.7899 8.7899 10.7110 10.7110 10.9496 10.9496 11.8756 11.8756 11.9859 11.9859 11.9902 11.9902 12.1332 12.1332 12.1660 12.1660 12.8674 12.8674 12.9058 12.9058 13.0548 13.0548 13.4541 13.4541 13.6926 13.6926 13.7576 13.7576 14.1083 14.1083 14.5314 14.5314 14.5465 14.5465 14.7220 14.7220 17.8178 17.8178 k = 0.4821 0.4969-0.0000 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5438 -0.5438 -0.1105 -0.1105 -0.0901 -0.0901 -0.0715 -0.0715 7.1462 7.1462 8.7750 8.7750 10.7051 10.7051 10.9359 10.9359 11.8806 11.8806 12.0083 12.0083 12.0107 12.0107 12.1108 12.1108 12.1454 12.1454 12.8766 12.8766 12.9144 12.9144 13.0569 13.0569 13.4539 13.4539 13.6883 13.6883 13.7554 13.7554 14.1049 14.1049 14.5117 14.5117 14.5263 14.5263 14.7115 14.7115 17.8153 17.8153 k = 0.4911 0.5061-0.0000 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5437 -0.5437 -0.1105 -0.1105 -0.0901 -0.0901 -0.0714 -0.0714 7.1641 7.1641 8.7657 8.7657 10.7016 10.7016 10.9276 10.9276 11.8835 11.8835 12.0267 12.0267 12.0288 12.0288 12.0905 12.0905 12.1293 12.1293 12.8822 12.8822 12.9197 12.9197 13.0582 13.0582 13.4538 13.4538 13.6858 13.6858 13.7541 13.7541 14.1029 14.1029 14.4998 14.4998 14.5142 14.5142 14.7053 14.7053 17.8138 17.8138 k = 0.5000 0.5153-0.0000 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5437 -0.5437 -0.1105 -0.1105 -0.0901 -0.0901 -0.0714 -0.0714 7.1701 7.1701 8.7626 8.7626 10.7004 10.7004 10.9247 10.9247 11.8845 11.8845 12.0333 12.0333 12.0397 12.0397 12.0795 12.0795 12.1227 12.1227 12.8841 12.8841 12.9215 12.9215 13.0587 13.0587 13.4538 13.4538 13.6849 13.6849 13.7536 13.7536 14.1022 14.1022 14.4958 14.4958 14.5101 14.5101 14.7032 14.7032 17.8133 17.8133 k = 0.5000 0.5153-0.0000 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5437 -0.5437 -0.1105 -0.1105 -0.0901 -0.0901 -0.0714 -0.0714 7.1701 7.1701 8.7626 8.7626 10.7004 10.7004 10.9247 10.9247 11.8845 11.8845 12.0333 12.0333 12.0397 12.0397 12.0795 12.0795 12.1227 12.1227 12.8841 12.8841 12.9215 12.9215 13.0587 13.0587 13.4538 13.4538 13.6849 13.6849 13.7536 13.7536 14.1022 14.1022 14.4958 14.4958 14.5101 14.5101 14.7032 14.7032 17.8133 17.8133 k = 0.4935 0.5216 0.0091 ( 2396 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5437 -0.5437 -0.1105 -0.1105 -0.0901 -0.0901 -0.0714 -0.0714 7.1705 7.1705 8.7639 8.7639 10.6977 10.6977 10.9242 10.9242 11.8836 11.8836 12.0329 12.0329 12.0402 12.0402 12.0802 12.0802 12.1221 12.1221 12.8807 12.8807 12.9179 12.9179 13.0577 13.0577 13.4586 13.4586 13.6878 13.6878 13.7550 13.7550 14.1021 14.1021 14.4959 14.4959 14.5101 14.5101 14.7030 14.7030 17.8185 17.8185 k = 0.4870 0.5279 0.0182 ( 2398 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5437 -0.5437 -0.1104 -0.1104 -0.0901 -0.0901 -0.0714 -0.0714 7.1715 7.1715 8.7677 8.7677 10.6892 10.6892 10.9229 10.9229 11.8810 11.8810 12.0319 12.0319 12.0408 12.0408 12.0822 12.0822 12.1210 12.1210 12.8707 12.8707 12.9074 12.9074 13.0549 13.0549 13.4718 13.4718 13.6964 13.6964 13.7593 13.7593 14.1019 14.1019 14.4961 14.4961 14.5103 14.5103 14.7021 14.7021 17.8337 17.8337 k = 0.4805 0.5342 0.0272 ( 2398 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5551 -0.5551 -0.5437 -0.5437 -0.1104 -0.1104 -0.0901 -0.0901 -0.0715 -0.0715 7.1733 7.1733 8.7740 8.7740 10.6747 10.6747 10.9211 10.9211 11.8769 11.8769 12.0290 12.0290 12.0412 12.0412 12.0855 12.0855 12.1211 12.1211 12.8549 12.8549 12.8908 12.8908 13.0507 13.0507 13.4912 13.4912 13.7107 13.7107 13.7672 13.7672 14.1015 14.1015 14.4964 14.4964 14.5106 14.5106 14.7007 14.7007 17.8580 17.8580 k = 0.4739 0.5405 0.0363 ( 2398 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5551 -0.5551 -0.5438 -0.5438 -0.1103 -0.1103 -0.0900 -0.0900 -0.0716 -0.0716 7.1757 7.1757 8.7829 8.7829 10.6537 10.6537 10.9196 10.9196 11.8714 11.8714 12.0205 12.0205 12.0428 12.0428 12.0901 12.0901 12.1242 12.1242 12.8347 12.8347 12.8695 12.8695 13.0452 13.0452 13.5134 13.5134 13.7292 13.7292 13.7811 13.7811 14.1010 14.1010 14.4968 14.4968 14.5112 14.5112 14.6988 14.6988 17.8898 17.8898 k = 0.4674 0.5469 0.0454 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5550 -0.5550 -0.5438 -0.5438 -0.1102 -0.1102 -0.0900 -0.0900 -0.0718 -0.0718 7.1786 7.1786 8.7943 8.7943 10.6257 10.6257 10.9190 10.9190 11.8650 11.8650 12.0050 12.0050 12.0465 12.0465 12.0959 12.0959 12.1309 12.1309 12.8111 12.8111 12.8447 12.8447 13.0388 13.0388 13.5359 13.5359 13.7475 13.7475 13.8059 13.8059 14.1002 14.1002 14.4972 14.4972 14.5121 14.5121 14.6964 14.6964 17.9271 17.9271 k = 0.4609 0.5532 0.0545 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5548 -0.5548 -0.5438 -0.5438 -0.1101 -0.1101 -0.0899 -0.0899 -0.0719 -0.0719 7.1821 7.1821 8.8082 8.8082 10.5906 10.5906 10.9196 10.9196 11.8576 11.8576 11.9833 11.9833 12.0516 12.0516 12.1031 12.1031 12.1406 12.1406 12.7851 12.7851 12.8179 12.8179 13.0314 13.0314 13.5569 13.5569 13.7621 13.7621 13.8449 13.8449 14.0993 14.0993 14.4975 14.4975 14.5134 14.5134 14.6934 14.6934 17.9677 17.9677 k = 0.4544 0.5595 0.0635 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5547 -0.5547 -0.5439 -0.5439 -0.1100 -0.1100 -0.0899 -0.0899 -0.0722 -0.0722 7.1859 7.1859 8.8246 8.8246 10.5484 10.5484 10.9217 10.9217 11.8496 11.8496 11.9569 11.9569 12.0578 12.0578 12.1115 12.1115 12.1524 12.1524 12.7576 12.7576 12.7902 12.7902 13.0230 13.0230 13.5760 13.5760 13.7740 13.7740 13.8959 13.8959 14.0982 14.0982 14.4978 14.4978 14.5153 14.5153 14.6900 14.6900 18.0092 18.0092 k = 0.4479 0.5658 0.0726 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5546 -0.5546 -0.5439 -0.5439 -0.1098 -0.1098 -0.0898 -0.0898 -0.0724 -0.0724 7.1899 7.1899 8.8435 8.8435 10.4996 10.4996 10.9254 10.9254 11.8406 11.8406 11.9271 11.9271 12.0648 12.0648 12.1210 12.1210 12.1655 12.1655 12.7293 12.7293 12.7628 12.7628 13.0138 13.0138 13.5936 13.5936 13.7848 13.7848 13.9560 13.9560 14.0968 14.0968 14.4978 14.4978 14.5181 14.5181 14.6862 14.6862 18.0495 18.0495 k = 0.4414 0.5721 0.0817 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5544 -0.5544 -0.5440 -0.5440 -0.1096 -0.1096 -0.0897 -0.0897 -0.0727 -0.0727 7.1941 7.1941 8.8648 8.8648 10.4446 10.4446 10.9306 10.9306 11.8300 11.8300 11.8955 11.8955 12.0723 12.0723 12.1316 12.1316 12.1792 12.1792 12.7009 12.7009 12.7362 12.7362 13.0036 13.0036 13.6101 13.6101 13.7954 13.7954 14.0229 14.0229 14.0952 14.0952 14.4977 14.4977 14.5217 14.5217 14.6822 14.6822 18.0870 18.0870 k = 0.4349 0.5785 0.0908 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2031 -33.2031 -0.5542 -0.5542 -0.5441 -0.5441 -0.1094 -0.1094 -0.0896 -0.0896 -0.0729 -0.0729 7.1981 7.1981 8.8887 8.8887 10.3841 10.3841 10.9373 10.9373 11.8153 11.8153 11.8656 11.8656 12.0801 12.0801 12.1431 12.1431 12.1931 12.1931 12.6736 12.6736 12.7107 12.7107 12.9925 12.9925 13.6261 13.6261 13.8060 13.8060 14.0904 14.0904 14.0982 14.0982 14.4974 14.4974 14.5263 14.5263 14.6779 14.6779 18.1206 18.1206 k = 0.4283 0.5848 0.0998 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2031 -33.2031 -0.5540 -0.5540 -0.5441 -0.5441 -0.1092 -0.1092 -0.0895 -0.0895 -0.0733 -0.0733 7.2017 7.2017 8.9149 8.9149 10.3187 10.3187 10.9452 10.9452 11.7914 11.7914 11.8432 11.8432 12.0882 12.0882 12.1551 12.1551 12.2067 12.2067 12.6481 12.6481 12.6863 12.6863 12.9806 12.9806 13.6417 13.6417 13.8168 13.8168 14.0905 14.0905 14.1726 14.1726 14.4970 14.4970 14.5320 14.5320 14.6735 14.6735 18.1500 18.1500 k = 0.4218 0.5911 0.1089 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2031 -33.2031 -0.5538 -0.5538 -0.5442 -0.5442 -0.1090 -0.1090 -0.0893 -0.0893 -0.0736 -0.0736 7.2047 7.2047 8.9436 8.9436 10.2493 10.2493 10.9544 10.9544 11.7575 11.7575 11.8294 11.8294 12.0964 12.0964 12.1674 12.1674 12.2198 12.2198 12.6252 12.6252 12.6632 12.6632 12.9678 12.9678 13.6574 13.6574 13.8279 13.8279 14.0879 14.0879 14.2527 14.2527 14.4967 14.4967 14.5390 14.5390 14.6691 14.6691 18.1751 18.1751 k = 0.4153 0.5974 0.1180 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2104 -33.2104 -33.2031 -33.2031 -0.5535 -0.5535 -0.5442 -0.5442 -0.1088 -0.1088 -0.0892 -0.0892 -0.0739 -0.0739 7.2068 7.2068 8.9747 8.9747 10.1768 10.1768 10.9647 10.9647 11.7186 11.7186 11.8199 11.8199 12.1044 12.1044 12.1796 12.1796 12.2320 12.2320 12.6050 12.6050 12.6418 12.6418 12.9544 12.9544 13.6732 13.6732 13.8395 13.8395 14.0848 14.0848 14.3354 14.3354 14.4969 14.4969 14.5470 14.5470 14.6649 14.6649 18.1962 18.1962 k = 0.4088 0.6038 0.1271 ( 2396 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2104 -33.2104 -33.2031 -33.2031 -0.5533 -0.5533 -0.5443 -0.5443 -0.1085 -0.1085 -0.0890 -0.0890 -0.0742 -0.0742 7.2077 7.2077 9.0082 9.0082 10.1020 10.1020 10.9759 10.9759 11.6773 11.6773 11.8125 11.8125 12.1121 12.1121 12.1912 12.1912 12.2436 12.2436 12.5870 12.5870 12.6229 12.6229 12.9403 12.9403 13.6892 13.6892 13.8518 13.8518 14.0813 14.0813 14.4176 14.4176 14.5002 14.5002 14.5564 14.5564 14.6612 14.6612 18.2139 18.2139 k = 0.4023 0.6101 0.1362 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2105 -33.2105 -33.2031 -33.2031 -0.5531 -0.5531 -0.5444 -0.5444 -0.1083 -0.1083 -0.0889 -0.0889 -0.0746 -0.0746 7.2069 7.2069 9.0440 9.0440 10.0260 10.0260 10.9881 10.9881 11.6349 11.6349 11.8062 11.8062 12.1193 12.1193 12.2016 12.2016 12.2549 12.2549 12.5696 12.5696 12.6083 12.6083 12.9257 12.9257 13.7054 13.7054 13.8648 13.8648 14.0772 14.0772 14.4742 14.4742 14.5307 14.5307 14.5673 14.5673 14.6582 14.6582 18.2285 18.2285 k = 0.3958 0.6164 0.1452 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5529 -0.5529 -0.5445 -0.5445 -0.1081 -0.1081 -0.0888 -0.0888 -0.0750 -0.0750 7.2041 7.2041 9.0820 9.0820 9.9496 9.9496 11.0012 11.0012 11.5919 11.5919 11.8007 11.8007 12.1258 12.1258 12.2101 12.2101 12.2666 12.2666 12.5512 12.5512 12.5993 12.5993 12.9108 12.9108 13.7219 13.7219 13.8786 13.8786 14.0728 14.0728 14.4829 14.4829 14.5768 14.5768 14.6125 14.6125 14.6576 14.6576 18.2405 18.2405 k = 0.3893 0.6227 0.1543 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5527 -0.5527 -0.5446 -0.5446 -0.1078 -0.1078 -0.0887 -0.0887 -0.0754 -0.0754 7.1987 7.1987 9.1224 9.1224 9.8740 9.8740 11.0149 11.0149 11.5489 11.5489 11.7960 11.7960 12.1314 12.1314 12.2164 12.2164 12.2791 12.2791 12.5316 12.5316 12.5958 12.5958 12.8957 12.8957 13.7385 13.7385 13.8933 13.8933 14.0680 14.0680 14.4831 14.4831 14.5894 14.5894 14.6532 14.6532 14.7077 14.7077 18.2505 18.2505 k = 0.3827 0.6290 0.1634 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5524 -0.5524 -0.5447 -0.5447 -0.1076 -0.1076 -0.0885 -0.0885 -0.0758 -0.0758 7.1902 7.1902 9.1650 9.1650 9.8000 9.8000 11.0294 11.0294 11.5059 11.5059 11.7920 11.7920 12.1360 12.1360 12.2206 12.2206 12.2926 12.2926 12.5111 12.5111 12.5966 12.5966 12.8806 12.8806 13.7554 13.7554 13.9090 13.9090 14.0628 14.0628 14.4818 14.4818 14.6010 14.6010 14.6572 14.6572 14.8013 14.8013 18.2586 18.2586 k = 0.3827 0.6290 0.1634 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5524 -0.5524 -0.5447 -0.5447 -0.1076 -0.1076 -0.0885 -0.0885 -0.0758 -0.0758 7.1902 7.1902 9.1650 9.1650 9.8000 9.8000 11.0294 11.0294 11.5059 11.5059 11.7920 11.7920 12.1360 12.1360 12.2206 12.2206 12.2926 12.2926 12.5111 12.5111 12.5966 12.5966 12.8806 12.8806 13.7554 13.7554 13.9090 13.9090 14.0628 14.0628 14.4818 14.4818 14.6010 14.6010 14.6572 14.6572 14.8013 14.8013 18.2586 18.2586 k = 0.3718 0.6254 0.1687 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5523 -0.5523 -0.5447 -0.5447 -0.1074 -0.1074 -0.0885 -0.0885 -0.0760 -0.0760 7.1819 7.1819 9.1874 9.1874 9.7625 9.7625 11.0394 11.0394 11.4804 11.4804 11.7899 11.7899 12.1377 12.1377 12.2219 12.2219 12.3012 12.3012 12.4988 12.4988 12.5982 12.5982 12.8725 12.8725 13.7653 13.7653 13.9184 13.9184 14.0608 14.0608 14.4772 14.4772 14.6016 14.6016 14.6692 14.6692 14.8628 14.8628 18.2629 18.2629 k = 0.3609 0.6217 0.1740 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5522 -0.5522 -0.5448 -0.5448 -0.1073 -0.1073 -0.0884 -0.0884 -0.0763 -0.0763 7.1690 7.1690 9.2010 9.2010 9.7371 9.7371 11.0521 11.0521 11.4538 11.4538 11.7881 11.7881 12.1383 12.1383 12.2216 12.2216 12.3105 12.3105 12.4860 12.4860 12.6000 12.6000 12.8656 12.8656 13.7754 13.7754 13.9276 13.9276 14.0611 14.0611 14.4679 14.4679 14.5946 14.5946 14.6952 14.6952 14.9332 14.9332 18.2669 18.2669 k = 0.3499 0.6180 0.1792 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5521 -0.5521 -0.5449 -0.5449 -0.1072 -0.1072 -0.0883 -0.0883 -0.0765 -0.0765 7.1523 7.1523 9.2017 9.2017 9.7273 9.7273 11.0671 11.0671 11.4264 11.4264 11.7865 11.7865 12.1375 12.1375 12.2202 12.2202 12.3203 12.3203 12.4731 12.4731 12.6019 12.6019 12.8599 12.8599 13.7855 13.7855 13.9359 13.9359 14.0643 14.0643 14.4564 14.4564 14.5858 14.5858 14.7299 14.7299 15.0095 15.0095 18.2708 18.2708 k = 0.3390 0.6143 0.1845 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2029 -33.2029 -0.5520 -0.5520 -0.5449 -0.5449 -0.1071 -0.1071 -0.0882 -0.0882 -0.0767 -0.0767 7.1323 7.1323 9.1879 9.1879 9.7345 9.7345 11.0844 11.0844 11.3983 11.3983 11.7852 11.7852 12.1350 12.1350 12.2181 12.2181 12.3302 12.3302 12.4603 12.4603 12.6037 12.6037 12.8553 12.8553 13.7956 13.7956 13.9428 13.9428 14.0706 14.0706 14.4442 14.4442 14.5773 14.5773 14.7713 14.7713 15.0903 15.0903 18.2745 18.2745 k = 0.3281 0.6106 0.1898 ( 2413 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2029 -33.2029 -0.5519 -0.5519 -0.5450 -0.5450 -0.1070 -0.1070 -0.0882 -0.0882 -0.0770 -0.0770 7.1096 7.1096 9.1605 9.1605 9.7572 9.7572 11.1037 11.1037 11.3699 11.3699 11.7842 11.7842 12.1300 12.1300 12.2162 12.2162 12.3399 12.3399 12.4479 12.4479 12.6054 12.6054 12.8514 12.8514 13.8056 13.8056 13.9480 13.9480 14.0800 14.0800 14.4321 14.4321 14.5698 14.5698 14.8192 14.8192 15.1746 15.1746 18.2780 18.2780 k = 0.3171 0.6070 0.1951 ( 2411 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2029 -33.2029 -0.5518 -0.5518 -0.5451 -0.5451 -0.1069 -0.1069 -0.0881 -0.0881 -0.0771 -0.0771 7.0848 7.0848 9.1226 9.1226 9.7920 9.7920 11.1249 11.1249 11.3413 11.3413 11.7835 11.7835 12.1223 12.1223 12.2153 12.2153 12.3487 12.3487 12.4364 12.4364 12.6068 12.6068 12.8482 12.8482 13.8155 13.8155 13.9516 13.9516 14.0922 14.0922 14.4205 14.4205 14.5636 14.5636 14.8737 14.8737 15.2620 15.2620 18.2813 18.2813 k = 0.3062 0.6033 0.2004 ( 2405 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2029 -33.2029 -0.5516 -0.5516 -0.5451 -0.5451 -0.1068 -0.1068 -0.0881 -0.0881 -0.0773 -0.0773 7.0582 7.0582 9.0774 9.0774 9.8355 9.8355 11.1475 11.1475 11.3126 11.3126 11.7831 11.7831 12.1115 12.1115 12.2157 12.2157 12.3557 12.3557 12.4269 12.4269 12.6078 12.6078 12.8454 12.8454 13.8253 13.8253 13.9539 13.9539 14.1064 14.1064 14.4097 14.4097 14.5589 14.5589 14.9348 14.9348 15.3521 15.3521 18.2843 18.2843 k = 0.2953 0.5996 0.2057 ( 2403 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2029 -33.2029 -0.5515 -0.5515 -0.5451 -0.5451 -0.1067 -0.1067 -0.0880 -0.0880 -0.0774 -0.0774 7.0304 7.0304 9.0275 9.0275 9.8846 9.8846 11.1715 11.1715 11.2841 11.2841 11.7830 11.7830 12.0981 12.0981 12.2173 12.2173 12.3593 12.3593 12.4207 12.4207 12.6083 12.6083 12.8428 12.8428 13.8346 13.8346 13.9554 13.9554 14.1222 14.1222 14.3998 14.3998 14.5556 14.5556 15.0029 15.0029 15.4446 15.4446 18.2872 18.2872 k = 0.2843 0.5959 0.2110 ( 2407 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2028 -33.2028 -0.5515 -0.5515 -0.5452 -0.5452 -0.1066 -0.1066 -0.0881 -0.0881 -0.0775 -0.0775 7.0016 7.0016 8.9750 8.9750 9.9374 9.9374 11.1963 11.1963 11.2561 11.2561 11.7832 11.7832 12.0825 12.0825 12.2199 12.2199 12.3584 12.3584 12.4192 12.4192 12.6083 12.6083 12.8403 12.8403 13.8436 13.8436 13.9561 13.9561 14.1387 14.1387 14.3909 14.3909 14.5536 14.5536 15.0780 15.0780 15.5394 15.5394 18.2897 18.2897 k = 0.2734 0.5922 0.2162 ( 2411 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2028 -33.2028 -0.5514 -0.5514 -0.5452 -0.5452 -0.1065 -0.1065 -0.0881 -0.0881 -0.0776 -0.0776 6.9723 6.9723 8.9211 8.9211 9.9924 9.9924 11.2179 11.2179 11.2325 11.2325 11.7837 11.7837 12.0653 12.0653 12.2228 12.2228 12.3531 12.3531 12.4220 12.4220 12.6077 12.6077 12.8376 12.8376 13.8522 13.8522 13.9566 13.9566 14.1557 14.1557 14.3832 14.3832 14.5529 14.5529 15.1604 15.1604 15.6365 15.6365 18.2920 18.2920 k = 0.2625 0.5886 0.2215 ( 2415 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2028 -33.2028 -0.5514 -0.5514 -0.5453 -0.5453 -0.1065 -0.1065 -0.0882 -0.0882 -0.0776 -0.0776 6.9426 6.9426 8.8667 8.8667 10.0484 10.0484 11.1985 11.1985 11.2511 11.2511 11.7846 11.7846 12.0469 12.0469 12.2257 12.2257 12.3456 12.3456 12.4275 12.4275 12.6067 12.6067 12.8348 12.8348 13.8602 13.8602 13.9568 13.9568 14.1728 14.1728 14.3766 14.3766 14.5535 14.5535 15.2500 15.2500 15.7356 15.7356 18.2940 18.2940 k = 0.2515 0.5849 0.2268 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2028 -33.2028 -0.5513 -0.5513 -0.5453 -0.5453 -0.1064 -0.1064 -0.0883 -0.0883 -0.0776 -0.0776 6.9129 6.9129 8.8125 8.8125 10.1048 10.1048 11.1719 11.1719 11.2780 11.2780 11.7858 11.7858 12.0279 12.0279 12.2278 12.2278 12.3375 12.3375 12.4340 12.4340 12.6054 12.6054 12.8316 12.8316 13.8676 13.8676 13.9570 13.9570 14.1898 14.1898 14.3711 14.3711 14.5553 14.5553 15.3468 15.3468 15.8368 15.8368 18.2957 18.2957 k = 0.2406 0.5812 0.2321 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2027 -33.2027 -0.5513 -0.5513 -0.5454 -0.5454 -0.1064 -0.1064 -0.0884 -0.0884 -0.0776 -0.0776 6.8833 6.8833 8.7590 8.7590 10.1611 10.1611 11.1456 11.1456 11.3055 11.3055 11.7873 11.7873 12.0085 12.0085 12.2286 12.2286 12.3300 12.3300 12.4407 12.4407 12.6039 12.6039 12.8280 12.8280 13.8744 13.8744 13.9571 13.9571 14.2066 14.2066 14.3669 14.3669 14.5582 14.5582 15.4507 15.4507 15.9401 15.9401 18.2972 18.2972 k = 0.2296 0.5775 0.2374 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2027 -33.2027 -0.5512 -0.5512 -0.5454 -0.5454 -0.1063 -0.1063 -0.0886 -0.0886 -0.0775 -0.0775 6.8541 6.8541 8.7066 8.7066 10.2169 10.2169 11.1199 11.1199 11.3333 11.3333 11.7891 11.7891 11.9890 11.9890 12.2274 12.2274 12.3239 12.3239 12.4471 12.4471 12.6024 12.6024 12.8239 12.8239 13.8805 13.8805 13.9572 13.9572 14.2232 14.2232 14.3637 14.3637 14.5620 14.5620 15.5615 15.5615 16.0452 16.0452 18.2983 18.2983 k = 0.2187 0.5738 0.2427 ( 2419 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2027 -33.2027 -0.5512 -0.5512 -0.5454 -0.5454 -0.1063 -0.1063 -0.0888 -0.0888 -0.0773 -0.0773 6.8255 6.8255 8.6555 8.6555 10.2717 10.2717 11.0950 11.0950 11.3612 11.3612 11.7912 11.7912 11.9697 11.9697 12.2238 12.2238 12.3193 12.3193 12.4529 12.4529 12.6012 12.6012 12.8194 12.8194 13.8858 13.8858 13.9573 13.9573 14.2395 14.2395 14.3617 14.3617 14.5665 14.5665 15.6790 15.6790 16.1523 16.1523 18.2990 18.2990 k = 0.2078 0.5702 0.2479 ( 2423 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2027 -33.2027 -0.5512 -0.5512 -0.5454 -0.5454 -0.1063 -0.1063 -0.0890 -0.0890 -0.0771 -0.0771 6.7976 6.7976 8.6059 8.6059 10.3253 10.3253 11.0709 11.0709 11.3890 11.3890 11.7936 11.7936 11.9508 11.9508 12.2180 12.2180 12.3162 12.3162 12.4580 12.4580 12.6004 12.6004 12.8143 12.8143 13.8905 13.8905 13.9573 13.9573 14.2556 14.2556 14.3607 14.3607 14.5717 14.5717 15.8029 15.8029 16.2613 16.2613 18.2995 18.2995 k = 0.1968 0.5665 0.2532 ( 2423 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2105 -33.2105 -33.2026 -33.2026 -0.5512 -0.5512 -0.5454 -0.5454 -0.1062 -0.1062 -0.0892 -0.0892 -0.0769 -0.0769 6.7705 6.7705 8.5582 8.5582 10.3776 10.3776 11.0477 11.0477 11.4166 11.4166 11.7963 11.7963 11.9325 11.9325 12.2102 12.2102 12.3140 12.3140 12.4624 12.4624 12.6002 12.6002 12.8088 12.8088 13.8945 13.8945 13.9572 13.9572 14.2714 14.2714 14.3607 14.3607 14.5775 14.5775 15.9328 15.9328 16.3723 16.3723 18.2996 18.2996 k = 0.1859 0.5628 0.2585 ( 2422 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2026 -33.2026 -0.5512 -0.5512 -0.5454 -0.5454 -0.1062 -0.1062 -0.0894 -0.0894 -0.0767 -0.0767 6.7443 6.7443 8.5123 8.5123 10.4283 10.4283 11.0255 11.0255 11.4439 11.4439 11.7991 11.7991 11.9150 11.9150 12.2010 12.2010 12.3119 12.3119 12.4663 12.4663 12.6007 12.6007 12.8029 12.8029 13.8979 13.8979 13.9571 13.9571 14.2871 14.2871 14.3617 14.3617 14.5838 14.5838 16.0684 16.0684 16.4851 16.4851 18.2995 18.2995 k = 0.1750 0.5591 0.2638 ( 2422 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2026 -33.2026 -0.5512 -0.5512 -0.5454 -0.5454 -0.1062 -0.1062 -0.0896 -0.0896 -0.0765 -0.0765 6.7192 6.7192 8.4686 8.4686 10.4773 10.4773 11.0043 11.0043 11.4708 11.4708 11.8022 11.8022 11.8985 11.8985 12.1907 12.1907 12.3092 12.3092 12.4698 12.4698 12.6020 12.6020 12.7966 12.7966 13.9007 13.9007 13.9569 13.9569 14.3023 14.3023 14.3635 14.3635 14.5903 14.5903 16.2093 16.2093 16.5998 16.5998 18.2991 18.2991 k = 0.1640 0.5554 0.2691 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2026 -33.2026 -0.5512 -0.5512 -0.5454 -0.5454 -0.1062 -0.1062 -0.0898 -0.0898 -0.0762 -0.0762 6.6953 6.6953 8.4270 8.4270 10.5243 10.5243 10.9842 10.9842 11.4973 11.4973 11.8052 11.8052 11.8831 11.8831 12.1798 12.1798 12.3055 12.3055 12.4730 12.4730 12.6040 12.6040 12.7900 12.7900 13.9028 13.9028 13.9566 13.9566 14.3173 14.3173 14.3660 14.3660 14.5970 14.5970 16.3551 16.3551 16.7163 16.7163 18.2985 18.2985 k = 0.1531 0.5518 0.2744 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2025 -33.2025 -0.5512 -0.5512 -0.5454 -0.5454 -0.1062 -0.1062 -0.0900 -0.0900 -0.0759 -0.0759 6.6726 6.6726 8.3876 8.3876 10.5692 10.5692 10.9653 10.9653 11.5232 11.5232 11.8081 11.8081 11.8691 11.8691 12.1684 12.1684 12.3003 12.3003 12.4763 12.4763 12.6065 12.6065 12.7833 12.7833 13.9045 13.9045 13.9561 13.9561 14.3316 14.3316 14.3695 14.3695 14.6039 14.6039 16.5053 16.5053 16.8348 16.8348 18.2977 18.2977 k = 0.1422 0.5481 0.2797 ( 2420 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2025 -33.2025 -0.5512 -0.5512 -0.5454 -0.5454 -0.1063 -0.1063 -0.0902 -0.0902 -0.0757 -0.0757 6.6512 6.6512 8.3507 8.3507 10.6118 10.6118 10.9475 10.9475 11.5484 11.5484 11.8105 11.8105 11.8571 11.8571 12.1570 12.1570 12.2936 12.2936 12.4795 12.4795 12.6096 12.6096 12.7766 12.7766 13.9057 13.9057 13.9556 13.9556 14.3450 14.3450 14.3739 14.3739 14.6107 14.6107 16.6593 16.6593 16.9550 16.9550 18.2970 18.2970 k = 0.1312 0.5444 0.2849 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2025 -33.2025 -0.5512 -0.5512 -0.5454 -0.5454 -0.1063 -0.1063 -0.0904 -0.0904 -0.0754 -0.0754 6.6311 6.6311 8.3162 8.3162 10.6520 10.6520 10.9310 10.9310 11.5728 11.5728 11.8117 11.8117 11.8476 11.8476 12.1454 12.1454 12.2854 12.2854 12.4829 12.4829 12.6129 12.6129 12.7699 12.7699 13.9066 13.9066 13.9550 13.9550 14.3567 14.3567 14.3798 14.3798 14.6174 14.6174 16.8165 16.8165 17.0771 17.0771 18.2965 18.2965 k = 0.1203 0.5407 0.2902 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2025 -33.2025 -0.5513 -0.5513 -0.5454 -0.5454 -0.1063 -0.1063 -0.0906 -0.0906 -0.0751 -0.0751 6.6125 6.6125 8.2843 8.2843 10.6896 10.6896 10.9157 10.9157 11.5963 11.5963 11.8106 11.8106 11.8420 11.8420 12.1340 12.1340 12.2758 12.2758 12.4862 12.4862 12.6165 12.6165 12.7634 12.7634 13.9071 13.9071 13.9543 13.9543 14.3660 14.3660 14.3878 14.3878 14.6240 14.6240 16.9763 16.9763 17.2010 17.2010 18.2964 18.2964 k = 0.1094 0.5370 0.2955 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2025 -33.2025 -0.5513 -0.5513 -0.5454 -0.5454 -0.1063 -0.1063 -0.0908 -0.0908 -0.0749 -0.0749 6.5954 6.5954 8.2549 8.2549 10.7243 10.7243 10.9019 10.9019 11.6187 11.6187 11.8069 11.8069 11.8406 11.8406 12.1226 12.1226 12.2651 12.2651 12.4894 12.4894 12.6201 12.6201 12.7572 12.7572 13.9074 13.9074 13.9535 13.9535 14.3728 14.3728 14.3976 14.3976 14.6304 14.6304 17.1378 17.1378 17.3268 17.3268 18.2972 18.2972 k = 0.0984 0.5333 0.3008 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5513 -0.5513 -0.5454 -0.5454 -0.1064 -0.1064 -0.0909 -0.0909 -0.0747 -0.0747 6.5797 6.5797 8.2282 8.2282 10.7559 10.7559 10.8895 10.8895 11.6398 11.6398 11.8020 11.8020 11.8421 11.8421 12.1115 12.1115 12.2537 12.2537 12.4925 12.4925 12.6237 12.6237 12.7514 12.7514 13.9075 13.9075 13.9527 13.9527 14.3781 14.3781 14.4083 14.4083 14.6364 14.6364 17.2998 17.2998 17.4544 17.4544 18.2995 18.2995 k = 0.0875 0.5297 0.3061 ( 2421 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5513 -0.5513 -0.5454 -0.5454 -0.1064 -0.1064 -0.0911 -0.0911 -0.0744 -0.0744 6.5657 6.5657 8.2042 8.2042 10.7842 10.7842 10.8788 10.8788 11.6592 11.6592 11.7974 11.7974 11.8452 11.8452 12.1006 12.1006 12.2418 12.2418 12.4952 12.4952 12.6272 12.6272 12.7462 12.7462 13.9074 13.9074 13.9519 13.9519 14.3824 14.3824 14.4188 14.4188 14.6420 14.6420 17.4607 17.4607 17.5837 17.5837 18.3044 18.3044 k = 0.0765 0.5260 0.3114 ( 2423 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5514 -0.5514 -0.5454 -0.5454 -0.1065 -0.1065 -0.0912 -0.0912 -0.0743 -0.0743 6.5532 6.5532 8.1829 8.1829 10.8083 10.8083 10.8705 10.8705 11.6764 11.6764 11.7942 11.7942 11.8489 11.8489 12.0901 12.0901 12.2299 12.2299 12.4975 12.4975 12.6304 12.6304 12.7415 12.7415 13.9073 13.9073 13.9511 13.9511 14.3862 14.3862 14.4286 14.4286 14.6472 14.6472 17.6178 17.6178 17.7147 17.7147 18.3138 18.3138 k = 0.0656 0.5223 0.3166 ( 2419 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5514 -0.5514 -0.5453 -0.5453 -0.1065 -0.1065 -0.0913 -0.0913 -0.0741 -0.0741 6.5423 6.5423 8.1643 8.1643 10.8264 10.8264 10.8662 10.8662 11.6910 11.6910 11.7928 11.7928 11.8530 11.8530 12.0800 12.0800 12.2185 12.2185 12.4994 12.4994 12.6334 12.6334 12.7375 12.7375 13.9070 13.9070 13.9504 13.9504 14.3895 14.3895 14.4376 14.4376 14.6519 14.6519 17.7667 17.7667 17.8473 17.8473 18.3317 18.3317 k = 0.0547 0.5186 0.3219 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5514 -0.5514 -0.5453 -0.5453 -0.1065 -0.1065 -0.0914 -0.0914 -0.0739 -0.0739 6.5331 6.5331 8.1486 8.1486 10.8346 10.8346 10.8699 10.8699 11.7024 11.7024 11.7936 11.7936 11.8572 11.8572 12.0706 12.0706 12.2078 12.2078 12.5010 12.5010 12.6360 12.6360 12.7341 12.7341 13.9068 13.9068 13.9497 13.9497 14.3923 14.3923 14.4454 14.4454 14.6560 14.6560 17.8992 17.8992 17.9814 17.9814 18.3648 18.3648 k = 0.0437 0.5149 0.3272 ( 2419 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5514 -0.5514 -0.5453 -0.5453 -0.1065 -0.1065 -0.0915 -0.0915 -0.0738 -0.0738 6.5255 6.5255 8.1357 8.1357 10.8344 10.8344 10.8800 10.8800 11.7107 11.7107 11.7961 11.7961 11.8613 11.8613 12.0619 12.0619 12.1983 12.1983 12.5021 12.5021 12.6382 12.6382 12.7314 12.7314 13.9065 13.9065 13.9491 13.9491 14.3946 14.3946 14.4519 14.4519 14.6594 14.6594 18.0034 18.0034 18.1169 18.1169 18.4238 18.4238 k = 0.0328 0.5113 0.3325 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5514 -0.5514 -0.5453 -0.5453 -0.1065 -0.1065 -0.0915 -0.0915 -0.0737 -0.0737 6.5195 6.5195 8.1256 8.1256 10.8318 10.8318 10.8902 10.8902 11.7160 11.7160 11.7997 11.7997 11.8652 11.8652 12.0544 12.0544 12.1905 12.1905 12.5029 12.5029 12.6399 12.6399 12.7293 12.7293 13.9063 13.9063 13.9487 13.9487 14.3965 14.3965 14.4571 14.4571 14.6622 14.6622 18.0714 18.0714 18.2532 18.2532 18.5137 18.5137 k = 0.0219 0.5076 0.3378 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5514 -0.5514 -0.5453 -0.5453 -0.1066 -0.1066 -0.0915 -0.0915 -0.0736 -0.0736 6.5153 6.5153 8.1184 8.1184 10.8293 10.8293 10.8982 10.8982 11.7191 11.7191 11.8033 11.8033 11.8684 11.8684 12.0485 12.0485 12.1847 12.1847 12.5034 12.5034 12.6412 12.6412 12.7279 12.7279 13.9061 13.9061 13.9484 13.9484 14.3978 14.3978 14.4609 14.4609 14.6641 14.6641 18.1086 18.1086 18.3885 18.3885 18.6241 18.6241 k = 0.0109 0.5039 0.3431 ( 2420 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2105 -33.2105 -33.2024 -33.2024 -0.5515 -0.5515 -0.5453 -0.5453 -0.1066 -0.1066 -0.0916 -0.0916 -0.0736 -0.0736 6.5128 6.5128 8.1141 8.1141 10.8276 10.8276 10.9032 10.9032 11.7207 11.7207 11.8058 11.8058 11.8706 11.8706 12.0446 12.0446 12.1810 12.1810 12.5037 12.5037 12.6420 12.6420 12.7270 12.7270 13.9060 13.9060 13.9481 13.9481 14.3986 14.3986 14.4632 14.4632 14.6653 14.6653 18.1262 18.1262 18.5158 18.5158 18.7294 18.7294 k = 0.0000 0.5002 0.3484 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2105 -33.2105 -33.2024 -33.2024 -0.5515 -0.5515 -0.5453 -0.5453 -0.1066 -0.1066 -0.0916 -0.0916 -0.0735 -0.0735 6.5119 6.5119 8.1127 8.1127 10.8271 10.8271 10.9049 10.9049 11.7212 11.7212 11.8067 11.8067 11.8714 11.8714 12.0433 12.0433 12.1798 12.1798 12.5038 12.5038 12.6423 12.6423 12.7267 12.7267 13.9060 13.9060 13.9481 13.9481 14.3988 14.3988 14.4640 14.4640 14.6657 14.6657 18.1313 18.1313 18.5890 18.5890 18.7830 18.7830 k = 0.0000 0.5002 0.3484 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2105 -33.2105 -33.2024 -33.2024 -0.5515 -0.5515 -0.5453 -0.5453 -0.1066 -0.1066 -0.0916 -0.0916 -0.0735 -0.0735 6.5119 6.5119 8.1127 8.1127 10.8271 10.8271 10.9049 10.9049 11.7212 11.7212 11.8067 11.8067 11.8714 11.8714 12.0433 12.0433 12.1798 12.1798 12.5038 12.5038 12.6423 12.6423 12.7267 12.7267 13.9060 13.9060 13.9481 13.9481 14.3988 14.3988 14.4640 14.4640 14.6657 14.6657 18.1313 18.1313 18.5890 18.5890 18.7830 18.7830 k = 0.0066 0.4938 0.3575 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2105 -33.2105 -33.2024 -33.2024 -0.5515 -0.5515 -0.5453 -0.5453 -0.1066 -0.1066 -0.0916 -0.0916 -0.0735 -0.0735 6.5128 6.5128 8.1142 8.1142 10.8253 10.8253 10.9054 10.9054 11.7201 11.7201 11.8060 11.8060 11.8709 11.8709 12.0450 12.0450 12.1808 12.1808 12.5037 12.5037 12.6420 12.6420 12.7271 12.7271 13.9059 13.9059 13.9480 13.9480 14.3982 14.3982 14.4638 14.4638 14.6655 14.6655 18.0903 18.0903 18.6096 18.6096 18.6354 18.6354 k = 0.0132 0.4875 0.3667 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4709 -34.4709 -33.2105 -33.2105 -33.2024 -33.2024 -0.5514 -0.5514 -0.5453 -0.5453 -0.1065 -0.1065 -0.0916 -0.0916 -0.0736 -0.0736 6.5155 6.5155 8.1187 8.1187 10.8199 10.8199 10.9070 10.9070 11.7165 11.7165 11.8040 11.8040 11.8696 11.8696 12.0499 12.0499 12.1836 12.1836 12.5032 12.5032 12.6412 12.6412 12.7281 12.7281 13.9054 13.9054 13.9478 13.9478 14.3963 14.3963 14.4632 14.4632 14.6646 14.6646 17.9905 17.9905 18.4661 18.4661 18.6695 18.6695 k = 0.0197 0.4811 0.3759 ( 2410 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5514 -0.5514 -0.5453 -0.5453 -0.1065 -0.1065 -0.0915 -0.0915 -0.0736 -0.0736 6.5199 6.5199 8.1262 8.1262 10.8108 10.8108 10.9099 10.9099 11.7103 11.7103 11.8011 11.8011 11.8679 11.8679 12.0575 12.0575 12.1882 12.1882 12.5024 12.5024 12.6399 12.6399 12.7299 12.7299 13.9047 13.9047 13.9473 13.9473 14.3931 14.3931 14.4621 14.4621 14.6632 14.6632 17.8633 17.8633 18.3009 18.3009 18.7239 18.7239 k = 0.0263 0.4747 0.3850 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2105 -33.2105 -33.2024 -33.2024 -0.5514 -0.5514 -0.5453 -0.5453 -0.1065 -0.1065 -0.0915 -0.0915 -0.0738 -0.0738 6.5262 6.5262 8.1367 8.1367 10.7979 10.7979 10.9140 10.9140 11.7011 11.7011 11.7981 11.7981 11.8662 11.8662 12.0671 12.0671 12.1945 12.1945 12.5012 12.5012 12.6382 12.6382 12.7324 12.7324 13.9035 13.9035 13.9467 13.9467 14.3887 14.3887 14.4607 14.4607 14.6613 14.6613 17.7243 17.7243 18.1338 18.1338 18.7719 18.7719 k = 0.0329 0.4683 0.3942 ( 2420 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2024 -33.2024 -0.5514 -0.5514 -0.5454 -0.5454 -0.1064 -0.1064 -0.0915 -0.0915 -0.0739 -0.0739 6.5341 6.5341 8.1501 8.1501 10.7811 10.7811 10.9196 10.9196 11.6886 11.6886 11.7955 11.7955 11.8648 11.8648 12.0780 12.0780 12.2022 12.2022 12.4997 12.4997 12.6360 12.6360 12.7356 12.7356 13.9021 13.9021 13.9458 13.9458 14.3833 14.3833 14.4588 14.4588 14.6588 14.6588 17.5805 17.5805 17.9658 17.9658 18.8150 18.8150 k = 0.0395 0.4619 0.4034 ( 2420 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2024 -33.2024 -0.5513 -0.5513 -0.5454 -0.5454 -0.1064 -0.1064 -0.0915 -0.0915 -0.0741 -0.0741 6.5438 6.5438 8.1665 8.1665 10.7607 10.7607 10.9265 10.9265 11.6732 11.6732 11.7939 11.7939 11.8640 11.8640 12.0898 12.0898 12.2111 12.2111 12.4976 12.4976 12.6335 12.6335 12.7395 12.7395 13.9003 13.9003 13.9448 13.9448 14.3769 14.3769 14.4566 14.4566 14.6559 14.6559 17.4353 17.4353 17.7975 17.7975 18.8564 18.8564 k = 0.0461 0.4555 0.4125 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2024 -33.2024 -0.5513 -0.5513 -0.5454 -0.5454 -0.1063 -0.1063 -0.0914 -0.0914 -0.0742 -0.0742 6.5553 6.5553 8.1858 8.1858 10.7366 10.7366 10.9347 10.9347 11.6550 11.6550 11.7932 11.7932 11.8636 11.8636 12.1021 12.1021 12.2209 12.2209 12.4951 12.4951 12.6306 12.6306 12.7441 12.7441 13.8980 13.8980 13.9435 13.9435 14.3698 14.3698 14.4541 14.4541 14.6527 14.6527 17.2905 17.2905 17.6296 17.6296 18.8983 18.8983 k = 0.0526 0.4492 0.4217 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2024 -33.2024 -0.5512 -0.5512 -0.5455 -0.5455 -0.1062 -0.1062 -0.0914 -0.0914 -0.0744 -0.0744 6.5684 6.5684 8.2080 8.2080 10.7090 10.7090 10.9442 10.9442 11.6346 11.6346 11.7935 11.7935 11.8638 11.8638 12.1148 12.1148 12.2314 12.2314 12.4921 12.4921 12.6276 12.6276 12.7494 12.7494 13.8954 13.8954 13.9420 13.9420 14.3620 14.3620 14.4511 14.4511 14.6491 14.6491 17.1471 17.1471 17.4626 17.4626 18.9421 18.9421 k = 0.0592 0.4428 0.4309 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2024 -33.2024 -0.5512 -0.5512 -0.5455 -0.5455 -0.1061 -0.1061 -0.0914 -0.0914 -0.0746 -0.0746 6.5831 6.5831 8.2331 8.2331 10.6780 10.6780 10.9549 10.9549 11.6124 11.6124 11.7946 11.7946 11.8645 11.8645 12.1275 12.1275 12.2423 12.2423 12.4886 12.4886 12.6244 12.6244 12.7552 12.7552 13.8924 13.8924 13.9402 13.9402 14.3538 14.3538 14.4478 14.4478 14.6453 14.6453 17.0059 17.0059 17.2970 17.2970 18.9886 18.9886 k = 0.0658 0.4364 0.4400 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2024 -33.2024 -0.5511 -0.5511 -0.5456 -0.5456 -0.1061 -0.1061 -0.0913 -0.0913 -0.0748 -0.0748 6.5995 6.5995 8.2609 8.2609 10.6439 10.6439 10.9666 10.9666 11.5888 11.5888 11.7963 11.7963 11.8656 11.8656 12.1401 12.1401 12.2534 12.2534 12.4848 12.4848 12.6211 12.6211 12.7616 12.7616 13.8890 13.8890 13.9380 13.9380 14.3451 14.3451 14.4441 14.4441 14.6412 14.6412 16.8672 16.8672 17.1334 17.1334 19.0383 19.0383 k = 0.0724 0.4300 0.4492 ( 2410 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2024 -33.2024 -0.5510 -0.5510 -0.5456 -0.5456 -0.1060 -0.1060 -0.0912 -0.0912 -0.0751 -0.0751 6.6174 6.6174 8.2915 8.2915 10.6068 10.6068 10.9793 10.9793 11.5642 11.5642 11.7987 11.7987 11.8672 11.8672 12.1524 12.1524 12.2646 12.2646 12.4806 12.4806 12.6178 12.6178 12.7684 12.7684 13.8852 13.8852 13.9356 13.9356 14.3364 14.3364 14.4401 14.4401 14.6370 14.6370 16.7313 16.7313 16.9721 16.9721 19.0913 19.0913 k = 0.0789 0.4236 0.4584 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2024 -33.2024 -0.5510 -0.5510 -0.5457 -0.5457 -0.1059 -0.1059 -0.0912 -0.0912 -0.0753 -0.0753 6.6369 6.6369 8.3247 8.3247 10.5668 10.5668 10.9929 10.9929 11.5389 11.5389 11.8015 11.8015 11.8692 11.8692 12.1641 12.1641 12.2759 12.2759 12.4761 12.4761 12.6146 12.6146 12.7755 12.7755 13.8810 13.8810 13.9327 13.9327 14.3276 14.3276 14.4359 14.4359 14.6327 14.6327 16.5984 16.5984 16.8135 16.8135 19.1477 19.1477 k = 0.0855 0.4172 0.4675 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2106 -33.2106 -33.2024 -33.2024 -0.5509 -0.5509 -0.5458 -0.5458 -0.1058 -0.1058 -0.0911 -0.0911 -0.0756 -0.0756 6.6578 6.6578 8.3606 8.3606 10.5244 10.5244 11.0070 11.0070 11.5131 11.5131 11.8047 11.8047 11.8715 11.8715 12.1749 12.1749 12.2872 12.2872 12.4716 12.4716 12.6116 12.6116 12.7828 12.7828 13.8765 13.8765 13.9294 13.9294 14.3188 14.3188 14.4314 14.4314 14.6284 14.6284 16.4686 16.4686 16.6581 16.6581 19.2074 19.2074 k = 0.0921 0.4108 0.4767 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2107 -33.2107 -33.2024 -33.2024 -0.5509 -0.5509 -0.5459 -0.5459 -0.1057 -0.1057 -0.0910 -0.0910 -0.0758 -0.0758 6.6802 6.6802 8.3991 8.3991 10.4795 10.4795 11.0214 11.0214 11.4871 11.4871 11.8083 11.8083 11.8741 11.8741 12.1843 12.1843 12.2986 12.2986 12.4673 12.4673 12.6086 12.6086 12.7902 12.7902 13.8717 13.8717 13.9258 13.9258 14.3104 14.3104 14.4268 14.4268 14.6242 14.6242 16.3420 16.3420 16.5062 16.5062 19.2705 19.2705 k = 0.0987 0.4045 0.4859 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2107 -33.2107 -33.2024 -33.2024 -0.5508 -0.5508 -0.5460 -0.5460 -0.1057 -0.1057 -0.0909 -0.0909 -0.0761 -0.0761 6.7038 6.7038 8.4399 8.4399 10.4326 10.4326 11.0359 11.0359 11.4613 11.4613 11.8122 11.8122 11.8770 11.8770 12.1921 12.1921 12.3103 12.3103 12.4635 12.4635 12.6058 12.6058 12.7975 12.7975 13.8666 13.8666 13.9217 13.9217 14.3022 14.3022 14.4220 14.4220 14.6200 14.6200 16.2187 16.2187 16.3583 16.3583 19.3368 19.3368 k = 0.1053 0.3981 0.4950 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2107 -33.2107 -33.2024 -33.2024 -0.5507 -0.5507 -0.5460 -0.5460 -0.1056 -0.1056 -0.0908 -0.0908 -0.0764 -0.0764 6.7287 6.7287 8.4832 8.4832 10.3839 10.3839 11.0498 11.0498 11.4363 11.4363 11.8163 11.8163 11.8801 11.8801 12.1977 12.1977 12.3220 12.3220 12.4605 12.4605 12.6031 12.6031 12.8047 12.8047 13.8613 13.8613 13.9173 13.9173 14.2945 14.2945 14.4172 14.4172 14.6159 14.6159 16.0987 16.0987 16.2147 16.2147 19.4061 19.4061 k = 0.1118 0.3917 0.5042 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2107 -33.2107 -33.2024 -33.2024 -0.5506 -0.5506 -0.5461 -0.5461 -0.1055 -0.1055 -0.0907 -0.0907 -0.0766 -0.0766 6.7548 6.7548 8.5287 8.5287 10.3335 10.3335 11.0624 11.0624 11.4126 11.4126 11.8207 11.8207 11.8834 11.8834 12.2010 12.2010 12.3335 12.3335 12.4590 12.4590 12.6004 12.6004 12.8117 12.8117 13.8558 13.8558 13.9125 13.9125 14.2873 14.2873 14.4124 14.4124 14.6120 14.6120 15.9821 15.9821 16.0756 16.0756 19.4784 19.4784 k = 0.1184 0.3853 0.5134 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2107 -33.2107 -33.2024 -33.2024 -0.5505 -0.5505 -0.5462 -0.5462 -0.1055 -0.1055 -0.0905 -0.0905 -0.0769 -0.0769 6.7819 6.7819 8.5764 8.5764 10.2819 10.2819 11.0728 11.0728 11.3912 11.3912 11.8253 11.8253 11.8868 11.8868 12.2020 12.2020 12.3439 12.3439 12.4599 12.4599 12.5977 12.5977 12.8184 12.8184 13.8501 13.8501 13.9075 13.9075 14.2807 14.2807 14.4077 14.4077 14.6081 14.6081 15.8688 15.8688 15.9416 15.9416 19.5534 19.5534 k = 0.1250 0.3789 0.5225 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4710 -34.4710 -33.2107 -33.2107 -33.2024 -33.2024 -0.5505 -0.5505 -0.5463 -0.5463 -0.1054 -0.1054 -0.0904 -0.0904 -0.0771 -0.0771 6.8099 6.8099 8.6261 8.6261 10.2292 10.2292 11.0795 11.0795 11.3735 11.3735 11.8300 11.8300 11.8902 11.8902 12.2006 12.2006 12.3522 12.3522 12.4639 12.4639 12.5950 12.5950 12.8247 12.8247 13.8443 13.8443 13.9023 13.9023 14.2746 14.2746 14.4031 14.4031 14.6044 14.6044 15.7588 15.7588 15.8128 15.8128 19.6312 19.6312 k = 0.1316 0.3725 0.5317 ( 2402 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2024 -33.2024 -0.5504 -0.5504 -0.5464 -0.5464 -0.1054 -0.1054 -0.0903 -0.0903 -0.0773 -0.0773 6.8387 6.8387 8.6776 8.6776 10.1758 10.1758 11.0810 11.0810 11.3609 11.3609 11.8349 11.8349 11.8937 11.8937 12.1972 12.1972 12.3575 12.3575 12.4716 12.4716 12.5923 12.5923 12.8305 12.8305 13.8385 13.8385 13.8971 13.8971 14.2693 14.2693 14.3988 14.3988 14.6008 14.6008 15.6521 15.6521 15.6899 15.6899 19.7114 19.7114 k = 0.1382 0.3662 0.5409 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2108 -33.2108 -33.2024 -33.2024 -0.5503 -0.5503 -0.5464 -0.5464 -0.1054 -0.1054 -0.0902 -0.0902 -0.0776 -0.0776 6.8682 6.8682 8.7308 8.7308 10.1220 10.1220 11.0758 11.0758 11.3548 11.3548 11.8398 11.8398 11.8973 11.8973 12.1920 12.1920 12.3597 12.3597 12.4824 12.4824 12.5901 12.5901 12.8359 12.8359 13.8326 13.8326 13.8919 13.8919 14.2646 14.2646 14.3947 14.3947 14.5972 14.5972 15.5484 15.5484 15.5732 15.5732 19.7940 19.7940 k = 0.1447 0.3598 0.5500 ( 2402 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2024 -33.2024 -0.5502 -0.5502 -0.5466 -0.5466 -0.1054 -0.1054 -0.0900 -0.0900 -0.0778 -0.0778 6.8982 6.8982 8.7855 8.7855 10.0682 10.0682 11.0633 11.0633 11.3557 11.3557 11.8447 11.8447 11.9008 11.9008 12.1851 12.1851 12.3592 12.3592 12.4947 12.4947 12.5894 12.5894 12.8408 12.8408 13.8266 13.8266 13.8869 13.8869 14.2607 14.2607 14.3909 14.3909 14.5937 14.5937 15.4471 15.4471 15.4637 15.4637 19.8788 19.8788 k = 0.1513 0.3534 0.5592 ( 2402 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2024 -33.2024 -0.5501 -0.5501 -0.5467 -0.5467 -0.1054 -0.1054 -0.0899 -0.0899 -0.0780 -0.0780 6.9284 6.9284 8.8415 8.8415 10.0146 10.0146 11.0438 11.0438 11.3631 11.3631 11.8497 11.8497 11.9043 11.9043 12.1770 12.1770 12.3567 12.3567 12.5053 12.5053 12.5920 12.5920 12.8451 12.8451 13.8208 13.8208 13.8822 13.8822 14.2577 14.2577 14.3874 14.3874 14.5901 14.5901 15.3475 15.3475 15.3625 15.3625 19.9656 19.9656 k = 0.1579 0.3470 0.5684 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2108 -33.2108 -33.2024 -33.2024 -0.5501 -0.5501 -0.5467 -0.5467 -0.1054 -0.1054 -0.0898 -0.0898 -0.0781 -0.0781 6.9588 6.9588 8.8986 8.8986 9.9616 9.9616 11.0186 11.0186 11.3759 11.3759 11.8546 11.8546 11.9078 11.9078 12.1678 12.1678 12.3529 12.3529 12.5110 12.5110 12.6004 12.6004 12.8490 12.8490 13.8150 13.8150 13.8778 13.8778 14.2556 14.2556 14.3844 14.3844 14.5865 14.5865 15.2512 15.2512 15.2684 15.2684 20.0543 20.0543 k = 0.1645 0.3406 0.5775 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2108 -33.2108 -33.2024 -33.2024 -0.5500 -0.5500 -0.5469 -0.5469 -0.1054 -0.1054 -0.0897 -0.0897 -0.0783 -0.0783 6.9890 6.9890 8.9564 8.9564 9.9096 9.9096 10.9888 10.9888 11.3927 11.3927 11.8593 11.8593 11.9112 11.9112 12.1577 12.1577 12.3481 12.3481 12.5103 12.5103 12.6154 12.6154 12.8524 12.8524 13.8094 13.8094 13.8737 13.8737 14.2545 14.2545 14.3818 14.3818 14.5825 14.5825 15.1603 15.1603 15.1793 15.1793 20.1446 20.1446 k = 0.1711 0.3342 0.5867 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2024 -33.2024 -0.5500 -0.5500 -0.5470 -0.5470 -0.1055 -0.1055 -0.0896 -0.0896 -0.0785 -0.0785 7.0189 7.0189 9.0146 9.0146 9.8590 9.8590 10.9556 10.9556 11.4123 11.4123 11.8640 11.8640 11.9147 11.9147 12.1470 12.1470 12.3428 12.3428 12.5042 12.5042 12.6354 12.6354 12.8553 12.8553 13.8042 13.8042 13.8700 13.8700 14.2544 14.2544 14.3796 14.3796 14.5782 14.5782 15.0758 15.0758 15.0946 15.0946 20.2363 20.2363 k = 0.1776 0.3279 0.5959 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5499 -0.5499 -0.5471 -0.5471 -0.1055 -0.1055 -0.0894 -0.0894 -0.0786 -0.0786 7.0482 7.0482 9.0728 9.0728 9.8102 9.8102 10.9200 10.9200 11.4338 11.4338 11.8684 11.8684 11.9180 11.9180 12.1360 12.1360 12.3371 12.3371 12.4946 12.4946 12.6583 12.6583 12.8577 12.8577 13.7994 13.7994 13.8667 13.8667 14.2556 14.2556 14.3780 14.3780 14.5733 14.5733 14.9984 14.9984 15.0143 15.0143 20.3291 20.3291 k = 0.1842 0.3215 0.6050 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5498 -0.5498 -0.5472 -0.5472 -0.1056 -0.1056 -0.0893 -0.0893 -0.0787 -0.0787 7.0765 7.0765 9.1307 9.1307 9.7635 9.7635 10.8827 10.8827 11.4565 11.4565 11.8725 11.8725 11.9214 11.9214 12.1247 12.1247 12.3311 12.3311 12.4827 12.4827 12.6826 12.6826 12.8599 12.8599 13.7952 13.7952 13.8637 13.8637 14.2582 14.2582 14.3769 14.3769 14.5674 14.5674 14.9280 14.9280 14.9386 14.9386 20.4226 20.4226 k = 0.1908 0.3151 0.6142 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5497 -0.5497 -0.5472 -0.5472 -0.1056 -0.1056 -0.0892 -0.0892 -0.0788 -0.0788 7.1035 7.1035 9.1876 9.1876 9.7195 9.7195 10.8445 10.8445 11.4798 11.4798 11.8762 11.8762 11.9247 11.9247 12.1134 12.1134 12.3250 12.3250 12.4694 12.4694 12.7073 12.7073 12.8616 12.8616 13.7915 13.7915 13.8609 13.8609 14.2622 14.2622 14.3764 14.3764 14.5602 14.5602 14.8622 14.8622 14.8705 14.8705 20.5165 20.5165 k = 0.1974 0.3087 0.6234 ( 2398 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5497 -0.5497 -0.5473 -0.5473 -0.1057 -0.1057 -0.0891 -0.0891 -0.0789 -0.0789 7.1290 7.1290 9.2428 9.2428 9.6786 9.6786 10.8059 10.8059 11.5030 11.5030 11.8795 11.8795 11.9278 11.9278 12.1022 12.1022 12.3187 12.3187 12.4557 12.4557 12.7315 12.7315 12.8632 12.8632 13.7883 13.7883 13.8584 13.8584 14.2680 14.2680 14.3765 14.3765 14.5511 14.5511 14.7963 14.7963 14.8152 14.8152 20.6101 20.6101 k = 0.2039 0.3023 0.6325 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5496 -0.5496 -0.5474 -0.5474 -0.1057 -0.1057 -0.0890 -0.0890 -0.0790 -0.0790 7.1527 7.1527 9.2957 9.2957 9.6411 9.6411 10.7679 10.7679 11.5258 11.5258 11.8824 11.8824 11.9308 11.9308 12.0915 12.0915 12.3123 12.3123 12.4420 12.4420 12.7547 12.7547 12.8645 12.8645 13.7858 13.7858 13.8560 13.8560 14.2755 14.2755 14.3774 14.3774 14.5396 14.5396 14.7334 14.7334 14.7703 14.7703 20.7027 20.7027 k = 0.2105 0.2959 0.6417 ( 2396 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5496 -0.5496 -0.5474 -0.5474 -0.1058 -0.1058 -0.0889 -0.0889 -0.0790 -0.0790 7.1740 7.1740 9.3453 9.3453 9.6076 9.6076 10.7313 10.7313 11.5476 11.5476 11.8847 11.8847 11.9336 11.9336 12.0814 12.0814 12.3058 12.3058 12.4291 12.4291 12.7761 12.7761 12.8657 12.8657 13.7838 13.7838 13.8539 13.8539 14.2852 14.2852 14.3791 14.3791 14.5253 14.5253 14.6750 14.6750 14.7347 14.7347 20.7930 20.7930 k = 0.2171 0.2895 0.6509 ( 2398 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5495 -0.5495 -0.5475 -0.5475 -0.1058 -0.1058 -0.0888 -0.0888 -0.0791 -0.0791 7.1928 7.1928 9.3906 9.3906 9.5784 9.5784 10.6971 10.6971 11.5677 11.5677 11.8865 11.8865 11.9359 11.9359 12.0723 12.0723 12.2995 12.2995 12.4175 12.4175 12.7951 12.7951 12.8670 12.8670 13.7822 13.7822 13.8520 13.8520 14.2971 14.2971 14.3818 14.3818 14.5085 14.5085 14.6213 14.6213 14.7080 14.7080 20.8794 20.8794 k = 0.2237 0.2832 0.6600 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5495 -0.5495 -0.5476 -0.5476 -0.1059 -0.1059 -0.0888 -0.0888 -0.0791 -0.0791 7.2087 7.2087 9.4304 9.4304 9.5539 9.5539 10.6665 10.6665 11.5855 11.5855 11.8878 11.8878 11.9379 11.9379 12.0644 12.0644 12.2935 12.2935 12.4076 12.4076 12.8113 12.8113 12.8683 12.8683 13.7811 13.7811 13.8504 13.8504 14.3114 14.3114 14.3855 14.3855 14.4899 14.4899 14.5726 14.5726 14.6889 14.6889 20.9596 20.9596 k = 0.2303 0.2768 0.6692 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5494 -0.5494 -0.5476 -0.5476 -0.1059 -0.1059 -0.0887 -0.0887 -0.0792 -0.0792 7.2214 7.2214 9.4633 9.4633 9.5344 9.5344 10.6408 10.6408 11.6004 11.6004 11.8887 11.8887 11.9394 11.9394 12.0579 12.0579 12.2881 12.2881 12.3998 12.3998 12.8239 12.8239 12.8698 12.8698 13.7802 13.7802 13.8491 13.8491 14.3283 14.3283 14.3901 14.3901 14.4711 14.4711 14.5294 14.5294 14.6760 14.6760 21.0302 21.0302 k = 0.2368 0.2704 0.6784 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5494 -0.5494 -0.5477 -0.5477 -0.1060 -0.1060 -0.0887 -0.0887 -0.0792 -0.0792 7.2306 7.2306 9.4879 9.4879 9.5204 9.5204 10.6212 10.6212 11.6118 11.6118 11.8891 11.8891 11.9404 11.9404 12.0532 12.0532 12.2839 12.2839 12.3942 12.3942 12.8328 12.8328 12.8713 12.8713 13.7797 13.7797 13.8481 13.8481 14.3474 14.3474 14.3950 14.3950 14.4533 14.4533 14.4929 14.4929 14.6678 14.6678 21.0868 21.0868 k = 0.2434 0.2640 0.6876 ( 2410 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5494 -0.5494 -0.5477 -0.5477 -0.1060 -0.1060 -0.0887 -0.0887 -0.0792 -0.0792 7.2363 7.2363 9.5030 9.5030 9.5122 9.5122 10.6089 10.6089 11.6188 11.6188 11.8893 11.8893 11.9409 11.9409 12.0503 12.0503 12.2812 12.2812 12.3908 12.3908 12.8379 12.8379 12.8726 12.8726 13.7793 13.7793 13.8475 13.8475 14.3681 14.3681 14.3969 14.3969 14.4391 14.4391 14.4659 14.4659 14.6633 14.6633 21.1240 21.1240 k = 0.2500 0.2576 0.6967 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5494 -0.5494 -0.5478 -0.5478 -0.1060 -0.1060 -0.0887 -0.0887 -0.0793 -0.0793 7.2381 7.2381 9.5067 9.5067 9.5108 9.5108 10.6047 10.6047 11.6212 11.6212 11.8894 11.8894 11.9411 11.9411 12.0493 12.0493 12.2802 12.2802 12.3897 12.3897 12.8395 12.8395 12.8731 12.8731 13.7792 13.7792 13.8473 13.8473 14.3858 14.3858 14.3888 14.3888 14.4341 14.4341 14.4548 14.4548 14.6618 14.6618 21.1371 21.1371 k = 0.2500 0.2576 0.6967 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5494 -0.5494 -0.5478 -0.5478 -0.1060 -0.1060 -0.0887 -0.0887 -0.0793 -0.0793 7.2381 7.2381 9.5067 9.5067 9.5108 9.5108 10.6047 10.6047 11.6212 11.6212 11.8894 11.8894 11.9411 11.9411 12.0493 12.0493 12.2802 12.2802 12.3897 12.3897 12.8395 12.8395 12.8731 12.8731 13.7792 13.7792 13.8473 13.8473 14.3858 14.3858 14.3888 14.3888 14.4341 14.4341 14.4548 14.4548 14.6618 14.6618 21.1371 21.1371 k = 0.2562 0.2641 0.6875 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5495 -0.5495 -0.5477 -0.5477 -0.1060 -0.1060 -0.0887 -0.0887 -0.0792 -0.0792 7.2369 7.2369 9.4696 9.4696 9.5470 9.5470 10.6075 10.6075 11.6206 11.6206 11.8863 11.8863 11.9443 11.9443 12.0501 12.0501 12.2802 12.2802 12.3903 12.3903 12.8387 12.8387 12.8732 12.8732 13.7790 13.7790 13.8475 13.8475 14.3671 14.3671 14.4007 14.4007 14.4369 14.4369 14.4616 14.4616 14.6624 14.6624 21.1076 21.1076 k = 0.2625 0.2705 0.6782 ( 2404 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5495 -0.5495 -0.5476 -0.5476 -0.1060 -0.1060 -0.0887 -0.0887 -0.0792 -0.0792 7.2336 7.2336 9.4317 9.4317 9.5816 9.5816 10.6159 10.6159 11.6188 11.6188 11.8779 11.8779 11.9532 11.9532 12.0526 12.0526 12.2799 12.2799 12.3924 12.3924 12.8364 12.8364 12.8736 12.8736 13.7785 13.7785 13.8480 13.8480 14.3406 14.3406 14.4126 14.4126 14.4471 14.4471 14.4741 14.4741 14.6637 14.6637 21.0180 21.0180 k = 0.2687 0.2769 0.6690 ( 2404 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5496 -0.5496 -0.5476 -0.5476 -0.1060 -0.1060 -0.0888 -0.0888 -0.0791 -0.0791 7.2287 7.2287 9.3956 9.3956 9.6115 9.6115 10.6300 10.6300 11.6158 11.6158 11.8665 11.8665 11.9651 11.9651 12.0569 12.0569 12.2792 12.2792 12.3960 12.3960 12.8326 12.8326 12.8739 12.8739 13.7779 13.7779 13.8487 13.8487 14.3124 14.3124 14.4240 14.4240 14.4620 14.4620 14.4899 14.4899 14.6656 14.6656 20.8791 20.8791 k = 0.2750 0.2834 0.6597 ( 2404 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5497 -0.5497 -0.5475 -0.5475 -0.1060 -0.1060 -0.0889 -0.0889 -0.0790 -0.0790 7.2224 7.2224 9.3615 9.3615 9.6361 9.6361 10.6494 10.6494 11.6118 11.6118 11.8536 11.8536 11.9783 11.9783 12.0636 12.0636 12.2780 12.2780 12.4011 12.4011 12.8273 12.8273 12.8740 12.8740 13.7771 13.7771 13.8493 13.8493 14.2842 14.2842 14.4352 14.4352 14.4788 14.4788 14.5097 14.5097 14.6679 14.6679 20.7092 20.7092 k = 0.2812 0.2898 0.6505 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5498 -0.5498 -0.5474 -0.5474 -0.1060 -0.1060 -0.0890 -0.0890 -0.0789 -0.0789 7.2152 7.2152 9.3292 9.3292 9.6557 9.6557 10.6736 10.6736 11.6070 11.6070 11.8401 11.8401 11.9914 11.9914 12.0728 12.0728 12.2762 12.2762 12.4076 12.4076 12.8207 12.8207 12.8739 12.8739 13.7763 13.7763 13.8499 13.8499 14.2568 14.2568 14.4464 14.4464 14.4953 14.4953 14.5350 14.5350 14.6703 14.6703 20.5233 20.5233 k = 0.2875 0.2963 0.6412 ( 2404 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5499 -0.5499 -0.5474 -0.5474 -0.1060 -0.1060 -0.0892 -0.0892 -0.0787 -0.0787 7.2074 7.2074 9.2990 9.2990 9.6705 9.6705 10.7018 10.7018 11.6013 11.6013 11.8265 11.8265 12.0036 12.0036 12.0851 12.0851 12.2740 12.2740 12.4152 12.4152 12.8127 12.8127 12.8736 12.8736 13.7754 13.7754 13.8504 13.8504 14.2303 14.2303 14.4574 14.4574 14.5106 14.5106 14.5663 14.5663 14.6728 14.6728 20.3304 20.3304 k = 0.2938 0.3027 0.6320 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5501 -0.5501 -0.5473 -0.5473 -0.1061 -0.1061 -0.0893 -0.0893 -0.0786 -0.0786 7.1992 7.1992 9.2708 9.2708 9.6810 9.6810 10.7330 10.7330 11.5950 11.5950 11.8131 11.8131 12.0144 12.0144 12.1003 12.1003 12.2713 12.2713 12.4238 12.4238 12.8036 12.8036 12.8730 12.8730 13.7745 13.7745 13.8507 13.8507 14.2051 14.2051 14.4683 14.4683 14.5247 14.5247 14.6032 14.6032 14.6756 14.6756 20.1364 20.1364 k = 0.3000 0.3092 0.6227 ( 2407 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5502 -0.5502 -0.5472 -0.5472 -0.1061 -0.1061 -0.0895 -0.0895 -0.0784 -0.0784 7.1909 7.1909 9.2447 9.2447 9.6878 9.6878 10.7661 10.7661 11.5881 11.5881 11.8000 11.8000 12.0237 12.0237 12.1180 12.1180 12.2683 12.2683 12.4332 12.4332 12.7934 12.7934 12.8723 12.8723 13.7736 13.7736 13.8508 13.8508 14.1813 14.1813 14.4788 14.4788 14.5376 14.5376 14.6437 14.6437 14.6796 14.6796 19.9447 19.9447 k = 0.3063 0.3156 0.6135 ( 2405 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5503 -0.5503 -0.5471 -0.5471 -0.1061 -0.1061 -0.0896 -0.0896 -0.0783 -0.0783 7.1826 7.1826 9.2207 9.2207 9.6917 9.6917 10.8002 10.8002 11.5808 11.5808 11.7876 11.7876 12.0318 12.0318 12.1377 12.1377 12.2650 12.2650 12.4429 12.4429 12.7823 12.7823 12.8714 12.8714 13.7726 13.7726 13.8508 13.8508 14.1591 14.1591 14.4890 14.4890 14.5495 14.5495 14.6723 14.6723 14.6999 14.6999 19.7579 19.7579 k = 0.3125 0.3220 0.6042 ( 2402 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5504 -0.5504 -0.5471 -0.5471 -0.1062 -0.1062 -0.0897 -0.0897 -0.0781 -0.0781 7.1746 7.1746 9.1988 9.1988 9.6934 9.6934 10.8343 10.8343 11.5732 11.5732 11.7759 11.7759 12.0391 12.0391 12.1584 12.1584 12.2617 12.2617 12.4528 12.4528 12.7705 12.7705 12.8704 12.8704 13.7717 13.7717 13.8506 13.8506 14.1385 14.1385 14.4987 14.4987 14.5603 14.5603 14.6774 14.6774 14.7471 14.7471 19.5780 19.5780 k = 0.3187 0.3285 0.5950 ( 2404 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5505 -0.5505 -0.5470 -0.5470 -0.1062 -0.1062 -0.0899 -0.0899 -0.0780 -0.0780 7.1670 7.1670 9.1790 9.1790 9.6934 9.6934 10.8675 10.8675 11.5654 11.5654 11.7650 11.7650 12.0457 12.0457 12.1795 12.1795 12.2585 12.2585 12.4626 12.4626 12.7581 12.7581 12.8694 12.8694 13.7709 13.7709 13.8503 13.8503 14.1197 14.1197 14.5077 14.5077 14.5700 14.5700 14.6794 14.6794 14.8000 14.8000 19.4066 19.4066 k = 0.3250 0.3349 0.5857 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2025 -33.2025 -0.5506 -0.5506 -0.5470 -0.5470 -0.1063 -0.1063 -0.0900 -0.0900 -0.0778 -0.0778 7.1599 7.1599 9.1615 9.1615 9.6922 9.6922 10.8993 10.8993 11.5575 11.5575 11.7550 11.7550 12.0519 12.0519 12.1999 12.1999 12.2558 12.2558 12.4721 12.4721 12.7456 12.7456 12.8684 12.8684 13.7702 13.7702 13.8499 13.8499 14.1027 14.1027 14.5158 14.5158 14.5785 14.5785 14.6808 14.6808 14.8549 14.8549 19.2456 19.2456 k = 0.3312 0.3414 0.5765 ( 2403 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2108 -33.2108 -33.2025 -33.2025 -0.5507 -0.5507 -0.5469 -0.5469 -0.1063 -0.1063 -0.0901 -0.0901 -0.0777 -0.0777 7.1535 7.1535 9.1461 9.1461 9.6904 9.6904 10.9290 10.9290 11.5496 11.5496 11.7460 11.7460 12.0577 12.0577 12.2181 12.2181 12.2547 12.2547 12.4810 12.4810 12.7331 12.7331 12.8676 12.8676 13.7698 13.7698 13.8495 13.8495 14.0875 14.0875 14.5229 14.5229 14.5858 14.5858 14.6819 14.6819 14.9102 14.9102 19.0965 19.0965 k = 0.3375 0.3478 0.5672 ( 2407 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2025 -33.2025 -0.5508 -0.5508 -0.5469 -0.5469 -0.1063 -0.1063 -0.0902 -0.0902 -0.0776 -0.0776 7.1478 7.1478 9.1330 9.1330 9.6882 9.6882 10.9562 10.9562 11.5418 11.5418 11.7381 11.7381 12.0631 12.0631 12.2303 12.2303 12.2583 12.2583 12.4895 12.4895 12.7210 12.7210 12.8669 12.8669 13.7697 13.7697 13.8491 13.8491 14.0743 14.0743 14.5286 14.5286 14.5920 14.5920 14.6829 14.6829 14.9643 14.9643 18.9614 18.9614 k = 0.3438 0.3542 0.5580 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2025 -33.2025 -0.5509 -0.5509 -0.5469 -0.5469 -0.1064 -0.1064 -0.0902 -0.0902 -0.0775 -0.0775 7.1430 7.1430 9.1221 9.1221 9.6860 9.6860 10.9803 10.9803 11.5344 11.5344 11.7313 11.7313 12.0682 12.0682 12.2337 12.2337 12.2688 12.2688 12.4974 12.4974 12.7095 12.7095 12.8664 12.8664 13.7701 13.7701 13.8487 13.8487 14.0629 14.0629 14.5329 14.5329 14.5970 14.5970 14.6839 14.6839 15.0153 15.0153 18.8421 18.8421 k = 0.3500 0.3607 0.5487 ( 2411 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2025 -33.2025 -0.5509 -0.5509 -0.5468 -0.5468 -0.1065 -0.1065 -0.0902 -0.0902 -0.0775 -0.0775 7.1390 7.1390 9.1134 9.1134 9.6841 9.6841 11.0012 11.0012 11.5274 11.5274 11.7257 11.7257 12.0728 12.0728 12.2327 12.2327 12.2812 12.2812 12.5051 12.5051 12.6989 12.6989 12.8662 12.8662 13.7710 13.7710 13.8484 13.8484 14.0534 14.0534 14.5353 14.5353 14.6008 14.6008 14.6850 14.6850 15.0613 15.0613 18.7406 18.7406 k = 0.3563 0.3671 0.5395 ( 2411 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2025 -33.2025 -0.5510 -0.5510 -0.5468 -0.5468 -0.1065 -0.1065 -0.0902 -0.0902 -0.0774 -0.0774 7.1360 7.1360 9.1070 9.1070 9.6826 9.6826 11.0184 11.0184 11.5210 11.5210 11.7213 11.7213 12.0770 12.0770 12.2305 12.2305 12.2915 12.2915 12.5129 12.5129 12.6893 12.6893 12.8662 12.8662 13.7727 13.7727 13.8483 13.8483 14.0457 14.0457 14.5359 14.5359 14.6036 14.6036 14.6862 14.6862 15.1002 15.1002 18.6590 18.6590 k = 0.3625 0.3736 0.5302 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2025 -33.2025 -0.5510 -0.5510 -0.5468 -0.5468 -0.1066 -0.1066 -0.0901 -0.0901 -0.0774 -0.0774 7.1340 7.1340 9.1029 9.1029 9.6816 9.6816 11.0317 11.0317 11.5155 11.5155 11.7181 11.7181 12.0806 12.0806 12.2282 12.2282 12.2981 12.2981 12.5212 12.5212 12.6809 12.6809 12.8665 12.8665 13.7752 13.7752 13.8484 13.8484 14.0399 14.0399 14.5344 14.5344 14.6054 14.6054 14.6874 14.6874 15.1303 15.1303 18.5991 18.5991 k = 0.3688 0.3800 0.5210 ( 2409 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2025 -33.2025 -0.5510 -0.5510 -0.5468 -0.5468 -0.1067 -0.1067 -0.0900 -0.0900 -0.0774 -0.0774 7.1330 7.1330 9.1011 9.1011 9.6812 9.6812 11.0408 11.0408 11.5110 11.5110 11.7161 11.7161 12.0837 12.0837 12.2259 12.2259 12.3005 12.3005 12.5305 12.5305 12.6736 12.6736 12.8672 12.8672 13.7785 13.7785 13.8488 13.8488 14.0358 14.0358 14.5310 14.5310 14.6061 14.6061 14.6887 14.6887 15.1499 15.1499 18.5626 18.5626 k = 0.3750 0.3864 0.5117 ( 2407 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2026 -33.2026 -0.5510 -0.5510 -0.5467 -0.5467 -0.1067 -0.1067 -0.0898 -0.0898 -0.0775 -0.0775 7.1330 7.1330 9.1015 9.1015 9.6816 9.6816 11.0457 11.0457 11.5076 11.5076 11.7154 11.7154 12.0860 12.0860 12.2240 12.2240 12.2984 12.2984 12.5406 12.5406 12.6674 12.6674 12.8681 12.8681 13.7826 13.7826 13.8497 13.8497 14.0335 14.0335 14.5256 14.5256 14.6057 14.6057 14.6900 14.6900 15.1579 15.1579 18.5503 18.5503 k = 0.3812 0.3929 0.5025 ( 2411 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2026 -33.2026 -0.5510 -0.5510 -0.5468 -0.5468 -0.1068 -0.1068 -0.0897 -0.0897 -0.0776 -0.0776 7.1341 7.1341 9.1041 9.1041 9.6826 9.6826 11.0462 11.0462 11.5056 11.5056 11.7160 11.7160 12.0875 12.0875 12.2225 12.2225 12.2922 12.2922 12.5511 12.5511 12.6624 12.6624 12.8693 12.8693 13.7874 13.7874 13.8512 13.8512 14.0327 14.0327 14.5184 14.5184 14.6040 14.6040 14.6911 14.6911 15.1540 15.1540 18.5628 18.5628 k = 0.3875 0.3993 0.4933 ( 2410 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2026 -33.2026 -0.5510 -0.5510 -0.5468 -0.5468 -0.1069 -0.1069 -0.0894 -0.0894 -0.0777 -0.0777 7.1362 7.1362 9.1091 9.1091 9.6842 9.6842 11.0423 11.0423 11.5050 11.5050 11.7178 11.7178 12.0883 12.0883 12.2213 12.2213 12.2826 12.2826 12.5611 12.5611 12.6590 12.6590 12.8709 12.8709 13.7926 13.7926 13.8537 13.8537 14.0337 14.0337 14.5096 14.5096 14.6010 14.6010 14.6921 14.6921 15.1384 15.1384 18.5998 18.5998 k = 0.3937 0.4058 0.4840 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2108 -33.2108 -33.2026 -33.2026 -0.5510 -0.5510 -0.5467 -0.5467 -0.1070 -0.1070 -0.0892 -0.0892 -0.0778 -0.0778 7.1393 7.1393 9.1163 9.1163 9.6865 9.6865 11.0340 11.0340 11.5057 11.5057 11.7208 11.7208 12.0881 12.0881 12.2203 12.2203 12.2705 12.2705 12.5693 12.5693 12.6579 12.6579 12.8727 12.8727 13.7977 13.7977 13.8575 13.8575 14.0363 14.0363 14.4993 14.4993 14.5967 14.5967 14.6928 14.6928 15.1120 15.1120 18.6601 18.6601 k = 0.4000 0.4122 0.4748 ( 2411 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2107 -33.2107 -33.2026 -33.2026 -0.5510 -0.5510 -0.5467 -0.5467 -0.1071 -0.1071 -0.0889 -0.0889 -0.0780 -0.0780 7.1433 7.1433 9.1258 9.1258 9.6892 9.6892 11.0216 11.0216 11.5077 11.5077 11.7250 11.7250 12.0870 12.0870 12.2187 12.2187 12.2574 12.2574 12.5742 12.5742 12.6598 12.6598 12.8747 12.8747 13.8025 13.8025 13.8629 13.8629 14.0407 14.0407 14.4878 14.4878 14.5910 14.5910 14.6930 14.6930 15.0764 15.0764 18.7422 18.7422 k = 0.4062 0.4186 0.4655 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2107 -33.2107 -33.2026 -33.2026 -0.5510 -0.5510 -0.5468 -0.5468 -0.1072 -0.1072 -0.0886 -0.0886 -0.0782 -0.0782 7.1483 7.1483 9.1375 9.1375 9.6922 9.6922 11.0052 11.0052 11.5109 11.5109 11.7304 11.7304 12.0849 12.0849 12.2147 12.2147 12.2457 12.2457 12.5750 12.5750 12.6654 12.6654 12.8769 12.8769 13.8063 13.8063 13.8702 13.8702 14.0468 14.0468 14.4752 14.4752 14.5839 14.5839 14.6928 14.6928 15.0332 15.0332 18.8443 18.8443 k = 0.4125 0.4251 0.4563 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2107 -33.2107 -33.2026 -33.2026 -0.5509 -0.5509 -0.5467 -0.5467 -0.1073 -0.1073 -0.0883 -0.0883 -0.0784 -0.0784 7.1542 7.1542 9.1514 9.1514 9.6953 9.6953 10.9853 10.9853 11.5151 11.5151 11.7368 11.7368 12.0817 12.0817 12.2054 12.2054 12.2392 12.2392 12.5719 12.5719 12.6739 12.6739 12.8793 12.8793 13.8092 13.8092 13.8793 13.8793 14.0549 14.0549 14.4615 14.4615 14.5754 14.5754 14.6921 14.6921 14.9847 14.9847 18.9643 18.9643 k = 0.4188 0.4315 0.4470 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2107 -33.2107 -33.2027 -33.2027 -0.5509 -0.5509 -0.5467 -0.5467 -0.1074 -0.1074 -0.0879 -0.0879 -0.0786 -0.0786 7.1609 7.1609 9.1675 9.1675 9.6982 9.6982 10.9623 10.9623 11.5201 11.5201 11.7444 11.7444 12.0774 12.0774 12.1913 12.1913 12.2378 12.2378 12.5657 12.5657 12.6843 12.6843 12.8819 12.8819 13.8110 13.8110 13.8900 13.8900 14.0649 14.0649 14.4472 14.4472 14.5654 14.5654 14.6907 14.6907 14.9326 14.9326 19.0999 19.0999 k = 0.4250 0.4380 0.4378 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2107 -33.2107 -33.2027 -33.2027 -0.5509 -0.5509 -0.5467 -0.5467 -0.1074 -0.1074 -0.0875 -0.0875 -0.0789 -0.0789 7.1684 7.1684 9.1858 9.1858 9.7007 9.7007 10.9366 10.9366 11.5258 11.5258 11.7529 11.7529 12.0716 12.0716 12.1756 12.1756 12.2391 12.2391 12.5574 12.5574 12.6955 12.6955 12.8844 12.8844 13.8119 13.8119 13.9018 13.9018 14.0771 14.0771 14.4322 14.4322 14.5539 14.5539 14.6886 14.6886 14.8789 14.8789 19.2491 19.2491 k = 0.4313 0.4444 0.4285 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2107 -33.2107 -33.2027 -33.2027 -0.5508 -0.5508 -0.5467 -0.5467 -0.1075 -0.1075 -0.0871 -0.0871 -0.0791 -0.0791 7.1765 7.1765 9.2063 9.2063 9.7022 9.7022 10.9090 10.9090 11.5319 11.5319 11.7623 11.7623 12.0642 12.0642 12.1603 12.1603 12.2416 12.2416 12.5476 12.5476 12.7069 12.7069 12.8870 12.8870 13.8121 13.8121 13.9142 13.9142 14.0915 14.0915 14.4167 14.4167 14.5408 14.5408 14.6855 14.6855 14.8255 14.8255 19.4097 19.4097 k = 0.4375 0.4508 0.4193 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2107 -33.2107 -33.2027 -33.2027 -0.5508 -0.5508 -0.5467 -0.5467 -0.1076 -0.1076 -0.0867 -0.0867 -0.0794 -0.0794 7.1851 7.1851 9.2289 9.2289 9.7024 9.7024 10.8799 10.8799 11.5384 11.5384 11.7725 11.7725 12.0548 12.0548 12.1466 12.1466 12.2448 12.2448 12.5369 12.5369 12.7178 12.7178 12.8894 12.8894 13.8117 13.8117 13.9267 13.9267 14.1082 14.1082 14.4009 14.4009 14.5262 14.5262 14.6809 14.6809 14.7745 14.7745 19.5797 19.5797 k = 0.4437 0.4573 0.4100 ( 2417 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2107 -33.2107 -33.2027 -33.2027 -0.5507 -0.5507 -0.5467 -0.5467 -0.1076 -0.1076 -0.0862 -0.0862 -0.0797 -0.0797 7.1941 7.1941 9.2537 9.2537 9.7008 9.7008 10.8502 10.8502 11.5449 11.5449 11.7835 11.7835 12.0434 12.0434 12.1352 12.1352 12.2486 12.2486 12.5256 12.5256 12.7280 12.7280 12.8917 12.8917 13.8108 13.8108 13.9391 13.9391 14.1271 14.1271 14.3850 14.3850 14.5099 14.5099 14.6726 14.6726 14.7292 14.7292 19.7566 19.7566 k = 0.4500 0.4637 0.4008 ( 2419 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2107 -33.2107 -33.2028 -33.2028 -0.5507 -0.5507 -0.5466 -0.5466 -0.1077 -0.1077 -0.0858 -0.0858 -0.0800 -0.0800 7.2033 7.2033 9.2805 9.2805 9.6967 9.6967 10.8207 10.8207 11.5515 11.5515 11.7951 11.7951 12.0301 12.0301 12.1262 12.1262 12.2526 12.2526 12.5140 12.5140 12.7372 12.7372 12.8938 12.8938 13.8094 13.8094 13.9511 13.9511 14.1481 14.1481 14.3692 14.3692 14.4919 14.4919 14.6533 14.6533 14.6983 14.6983 19.9376 19.9376 k = 0.4562 0.4702 0.3915 ( 2419 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2107 -33.2107 -33.2028 -33.2028 -0.5507 -0.5507 -0.5466 -0.5466 -0.1077 -0.1077 -0.0855 -0.0855 -0.0803 -0.0803 7.2126 7.2126 9.3093 9.3093 9.6896 9.6896 10.7923 10.7923 11.5579 11.5579 11.8072 11.8072 12.0155 12.0155 12.1196 12.1196 12.2569 12.2569 12.5024 12.5024 12.7453 12.7453 12.8955 12.8955 13.8076 13.8076 13.9626 13.9626 14.1710 14.1710 14.3536 14.3536 14.4723 14.4723 14.6208 14.6208 14.6847 14.6847 20.1187 20.1187 k = 0.4625 0.4766 0.3823 ( 2417 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2028 -33.2028 -0.5507 -0.5507 -0.5465 -0.5465 -0.1077 -0.1077 -0.0851 -0.0851 -0.0805 -0.0805 7.2218 7.2218 9.3401 9.3401 9.6788 9.6788 10.7660 10.7660 11.5640 11.5640 11.8196 11.8196 12.0004 12.0004 12.1149 12.1149 12.2614 12.2614 12.4910 12.4910 12.7522 12.7522 12.8970 12.8970 13.8053 13.8053 13.9735 13.9735 14.1953 14.1953 14.3384 14.3384 14.4515 14.4515 14.5869 14.5869 14.6772 14.6772 20.2939 20.2939 k = 0.4688 0.4831 0.3730 ( 2417 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2028 -33.2028 -0.5507 -0.5507 -0.5465 -0.5465 -0.1078 -0.1078 -0.0848 -0.0848 -0.0807 -0.0807 7.2306 7.2306 9.3730 9.3730 9.6638 9.6638 10.7427 10.7427 11.5697 11.5697 11.8322 11.8322 11.9853 11.9853 12.1119 12.1119 12.2659 12.2659 12.4799 12.4799 12.7579 12.7579 12.8980 12.8980 13.8027 13.8027 13.9836 13.9836 14.2203 14.2203 14.3242 14.3242 14.4301 14.4301 14.5563 14.5563 14.6714 14.6714 20.4524 20.4524 k = 0.4750 0.4895 0.3638 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2028 -33.2028 -0.5507 -0.5507 -0.5464 -0.5464 -0.1078 -0.1078 -0.0845 -0.0845 -0.0809 -0.0809 7.2388 7.2388 9.4077 9.4077 9.6442 9.6442 10.7232 10.7232 11.5749 11.5749 11.8448 11.8448 11.9708 11.9708 12.1102 12.1102 12.2705 12.2705 12.4693 12.4693 12.7622 12.7622 12.8987 12.8987 13.7996 13.7996 13.9930 13.9930 14.2444 14.2444 14.3119 14.3119 14.4090 14.4090 14.5303 14.5303 14.6661 14.6661 20.5771 20.5771 k = 0.4813 0.4959 0.3545 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2028 -33.2028 -0.5508 -0.5508 -0.5463 -0.5463 -0.1078 -0.1078 -0.0844 -0.0844 -0.0809 -0.0809 7.2461 7.2461 9.4443 9.4443 9.6199 9.6199 10.7082 10.7082 11.5794 11.5794 11.8572 11.8572 11.9575 11.9575 12.1096 12.1096 12.2751 12.2751 12.4594 12.4594 12.7652 12.7652 12.8991 12.8991 13.7961 13.7961 14.0016 14.0016 14.2630 14.2630 14.3052 14.3052 14.3892 14.3892 14.5092 14.5092 14.6613 14.6613 20.6460 20.6460 k = 0.4875 0.5024 0.3453 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5508 -0.5508 -0.5462 -0.5462 -0.1078 -0.1078 -0.0843 -0.0843 -0.0808 -0.0808 7.2522 7.2522 9.4826 9.4826 9.5908 9.5908 10.6981 10.6981 11.5832 11.5832 11.8689 11.8689 11.9458 11.9458 12.1100 12.1100 12.2797 12.2797 12.4502 12.4502 12.7669 12.7669 12.8991 12.8991 13.7921 13.7921 14.0092 14.0092 14.2664 14.2664 14.3121 14.3121 14.3716 14.3716 14.4938 14.4938 14.6569 14.6569 20.6488 20.6488 k = 0.4938 0.5088 0.3360 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5509 -0.5509 -0.5461 -0.5461 -0.1078 -0.1078 -0.0844 -0.0844 -0.0806 -0.0806 7.2567 7.2567 9.5227 9.5227 9.5574 9.5574 10.6931 10.6931 11.5861 11.5861 11.8793 11.8793 11.9366 11.9366 12.1111 12.1111 12.2842 12.2842 12.4421 12.4421 12.7674 12.7674 12.8989 12.8989 13.7877 13.7877 14.0159 14.0159 14.2587 14.2587 14.3261 14.3261 14.3570 14.3570 14.4864 14.4864 14.6533 14.6533 20.5980 20.5980 k = 0.5000 0.5153 0.3268 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5510 -0.5510 -0.5459 -0.5459 -0.1078 -0.1078 -0.0846 -0.0846 -0.0803 -0.0803 7.2592 7.2592 9.5200 9.5200 9.5648 9.5648 10.6933 10.6933 11.5882 11.5882 11.8871 11.8871 11.9312 11.9312 12.1128 12.1128 12.2887 12.2887 12.4349 12.4349 12.7666 12.7666 12.8984 12.8984 13.7828 13.7828 14.0214 14.0214 14.2482 14.2482 14.3356 14.3356 14.3457 14.3457 14.4895 14.4895 14.6506 14.6506 20.5142 20.5142 k = 0.5000 0.5153 0.3268 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5510 -0.5510 -0.5459 -0.5459 -0.1078 -0.1078 -0.0846 -0.0846 -0.0803 -0.0803 7.2592 7.2592 9.5200 9.5200 9.5648 9.5648 10.6933 10.6933 11.5882 11.5882 11.8871 11.8871 11.9312 11.9312 12.1128 12.1128 12.2887 12.2887 12.4349 12.4349 12.7666 12.7666 12.8984 12.8984 13.7828 13.7828 14.0214 14.0214 14.2482 14.2482 14.3356 14.3356 14.3457 14.3457 14.4895 14.4895 14.6506 14.6506 20.5142 20.5142 k = 0.5000 0.5153 0.3142 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5511 -0.5511 -0.5458 -0.5458 -0.1078 -0.1078 -0.0849 -0.0849 -0.0799 -0.0799 7.2607 7.2607 9.4678 9.4678 9.6230 9.6230 10.6979 10.6979 11.5916 11.5916 11.8901 11.8901 11.9330 11.9330 12.1154 12.1154 12.2942 12.2942 12.4259 12.4259 12.7651 12.7651 12.8984 12.8984 13.7758 13.7758 14.0281 14.0281 14.2323 14.2323 14.3270 14.3270 14.3480 14.3480 14.5021 14.5021 14.6474 14.6474 20.3751 20.3751 k = 0.5000 0.5153 0.3016 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2106 -33.2106 -33.2029 -33.2029 -0.5513 -0.5513 -0.5456 -0.5456 -0.1078 -0.1078 -0.0852 -0.0852 -0.0794 -0.0794 7.2611 7.2611 9.4168 9.4168 9.6820 9.6820 10.7042 10.7042 11.5972 11.5972 11.8849 11.8849 11.9446 11.9446 12.1176 12.1176 12.2985 12.2985 12.4172 12.4172 12.7639 12.7639 12.8996 12.8996 13.7686 13.7686 14.0344 14.0344 14.2150 14.2150 14.3084 14.3084 14.3582 14.3582 14.5151 14.5151 14.6439 14.6439 20.2223 20.2223 k = 0.5000 0.5153 0.2891 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5515 -0.5515 -0.5455 -0.5455 -0.1079 -0.1079 -0.0856 -0.0856 -0.0789 -0.0789 7.2606 7.2606 9.3672 9.3672 9.7414 9.7414 10.7122 10.7122 11.6051 11.6051 11.8771 11.8771 11.9604 11.9604 12.1196 12.1196 12.3015 12.3015 12.4090 12.4090 12.7632 12.7632 12.9020 12.9020 13.7611 13.7611 14.0405 14.0405 14.1964 14.1964 14.2879 14.2879 14.3685 14.3685 14.5280 14.5280 14.6402 14.6402 20.0635 20.0635 k = 0.5000 0.5153 0.2765 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5516 -0.5516 -0.5453 -0.5453 -0.1079 -0.1079 -0.0860 -0.0860 -0.0783 -0.0783 7.2592 7.2592 9.3190 9.3190 9.8011 9.8011 10.7217 10.7217 11.6153 11.6153 11.8691 11.8691 11.9775 11.9775 12.1215 12.1215 12.3027 12.3027 12.4021 12.4021 12.7629 12.7629 12.9056 12.9056 13.7535 13.7535 14.0461 14.0461 14.1767 14.1767 14.2661 14.2661 14.3786 14.3786 14.5403 14.5403 14.6364 14.6364 19.9028 19.9028 k = 0.5000 0.5153 0.2639 ( 2410 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5519 -0.5519 -0.5452 -0.5452 -0.1080 -0.1080 -0.0864 -0.0864 -0.0778 -0.0778 7.2569 7.2569 9.2723 9.2723 9.8609 9.8609 10.7326 10.7326 11.6278 11.6278 11.8618 11.8618 11.9945 11.9945 12.1234 12.1234 12.3019 12.3019 12.3972 12.3972 12.7632 12.7632 12.9103 12.9103 13.7458 13.7458 14.0514 14.0514 14.1559 14.1559 14.2432 14.2432 14.3884 14.3884 14.5516 14.5516 14.6327 14.6327 19.7428 19.7428 k = 0.5000 0.5153 0.2514 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5521 -0.5521 -0.5450 -0.5450 -0.1081 -0.1081 -0.0868 -0.0868 -0.0773 -0.0773 7.2539 7.2539 9.2273 9.2273 9.9206 9.9206 10.7445 10.7445 11.6425 11.6425 11.8555 11.8555 12.0106 12.0106 12.1254 12.1254 12.2986 12.2986 12.3952 12.3952 12.7639 12.7639 12.9159 12.9159 13.7380 13.7380 14.0561 14.0561 14.1340 14.1340 14.2193 14.2193 14.3979 14.3979 14.5614 14.5614 14.6297 14.6297 19.5851 19.5851 k = 0.5000 0.5153 0.2388 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5523 -0.5523 -0.5449 -0.5449 -0.1082 -0.1082 -0.0872 -0.0872 -0.0767 -0.0767 7.2501 7.2501 9.1840 9.1840 9.9800 9.9800 10.7573 10.7573 11.6594 11.6594 11.8503 11.8503 12.0251 12.0251 12.1277 12.1277 12.2926 12.2926 12.3968 12.3968 12.7653 12.7653 12.9225 12.9225 13.7301 13.7301 14.0602 14.0602 14.1111 14.1111 14.1945 14.1945 14.4071 14.4071 14.5689 14.5689 14.6281 14.6281 19.4308 19.4308 k = 0.5000 0.5153 0.2262 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2030 -33.2030 -0.5525 -0.5525 -0.5448 -0.5448 -0.1083 -0.1083 -0.0875 -0.0875 -0.0762 -0.0762 7.2458 7.2458 9.1425 9.1425 10.0388 10.0388 10.7707 10.7707 11.6783 11.6783 11.8463 11.8463 12.0371 12.0371 12.1304 12.1304 12.2843 12.2843 12.4027 12.4027 12.7673 12.7673 12.9299 12.9299 13.7220 13.7220 14.0632 14.0632 14.0874 14.0874 14.1691 14.1691 14.4160 14.4160 14.5734 14.5734 14.6286 14.6286 19.2807 19.2807 k = 0.5000 0.5153 0.2137 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2031 -33.2031 -0.5527 -0.5527 -0.5446 -0.5446 -0.1084 -0.1084 -0.0878 -0.0878 -0.0758 -0.0758 7.2409 7.2409 9.1029 9.1029 10.0970 10.0970 10.7845 10.7845 11.6993 11.6993 11.8436 11.8436 12.0464 12.0464 12.1333 12.1333 12.2740 12.2740 12.4129 12.4129 12.7700 12.7700 12.9379 12.9379 13.7139 13.7139 14.0576 14.0576 14.0700 14.0700 14.1433 14.1433 14.4245 14.4245 14.5746 14.5746 14.6316 14.6316 19.1356 19.1356 k = 0.5000 0.5153 0.2011 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2105 -33.2105 -33.2031 -33.2031 -0.5530 -0.5530 -0.5445 -0.5445 -0.1086 -0.1086 -0.0881 -0.0881 -0.0753 -0.0753 7.2357 7.2357 9.0652 9.0652 10.1541 10.1541 10.7985 10.7985 11.7219 11.7219 11.8423 11.8423 12.0528 12.0528 12.1359 12.1359 12.2623 12.2623 12.4278 12.4278 12.7734 12.7734 12.9465 12.9465 13.7056 13.7056 14.0331 14.0331 14.0680 14.0680 14.1188 14.1188 14.4326 14.4326 14.5728 14.5728 14.6367 14.6367 18.9958 18.9958 k = 0.5000 0.5153 0.1885 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2031 -33.2031 -0.5532 -0.5532 -0.5444 -0.5444 -0.1087 -0.1087 -0.0884 -0.0884 -0.0748 -0.0748 7.2301 7.2301 9.0295 9.0295 10.2099 10.2099 10.8123 10.8123 11.7458 11.7458 11.8427 11.8427 12.0567 12.0567 12.1376 12.1376 12.2495 12.2495 12.4471 12.4471 12.7777 12.7777 12.9555 12.9555 13.6970 13.6970 14.0056 14.0056 14.0611 14.0611 14.0999 14.0999 14.4404 14.4404 14.5689 14.5689 14.6430 14.6430 18.8620 18.8620 k = 0.5000 0.5153 0.1760 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2031 -33.2031 -0.5534 -0.5534 -0.5443 -0.5443 -0.1089 -0.1089 -0.0887 -0.0887 -0.0744 -0.0744 7.2243 7.2243 8.9959 8.9959 10.2642 10.2642 10.8258 10.8258 11.7701 11.7701 11.8451 11.8451 12.0586 12.0586 12.1380 12.1380 12.2361 12.2361 12.4708 12.4708 12.7828 12.7828 12.9648 12.9648 13.6881 13.6881 13.9771 13.9771 14.0419 14.0419 14.0923 14.0923 14.4478 14.4478 14.5639 14.5639 14.6499 14.6499 18.7346 18.7346 k = 0.5000 0.5153 0.1634 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2031 -33.2031 -0.5536 -0.5536 -0.5442 -0.5442 -0.1091 -0.1091 -0.0889 -0.0889 -0.0740 -0.0740 7.2184 7.2184 8.9644 8.9644 10.3168 10.3168 10.8388 10.8388 11.7934 11.7934 11.8508 11.8508 12.0590 12.0590 12.1368 12.1368 12.2223 12.2223 12.4985 12.4985 12.7889 12.7889 12.9742 12.9742 13.6786 13.6786 13.9477 13.9477 14.0152 14.0152 14.0912 14.0912 14.4548 14.4548 14.5582 14.5582 14.6568 14.6568 18.6140 18.6140 k = 0.5000 0.5153 0.1508 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2031 -33.2031 -0.5539 -0.5539 -0.5442 -0.5442 -0.1093 -0.1093 -0.0891 -0.0891 -0.0736 -0.0736 7.2125 7.2125 8.9350 8.9350 10.3672 10.3672 10.8511 10.8511 11.8128 11.8128 11.8621 11.8621 12.0583 12.0583 12.1339 12.1339 12.2083 12.2083 12.5298 12.5298 12.7960 12.7960 12.9836 12.9836 13.6683 13.6683 13.9178 13.9178 13.9859 13.9859 14.0921 14.0921 14.4613 14.4613 14.5521 14.5521 14.6634 14.6634 18.5006 18.5006 k = 0.5000 0.5153 0.1383 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2031 -33.2031 -0.5541 -0.5541 -0.5441 -0.5441 -0.1094 -0.1094 -0.0893 -0.0893 -0.0733 -0.0733 7.2067 7.2067 8.9078 8.9078 10.4153 10.4153 10.8627 10.8627 11.8261 11.8261 11.8807 11.8807 12.0568 12.0568 12.1298 12.1298 12.1943 12.1943 12.5640 12.5640 12.8041 12.8041 12.9929 12.9929 13.6568 13.6568 13.8881 13.8881 13.9556 13.9556 14.0934 14.0934 14.4674 14.4674 14.5460 14.5460 14.6697 14.6697 18.3948 18.3948 k = 0.5000 0.5153 0.1257 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5543 -0.5543 -0.5440 -0.5440 -0.1096 -0.1096 -0.0894 -0.0894 -0.0729 -0.0729 7.2011 7.2011 8.8829 8.8829 10.4606 10.4606 10.8734 10.8734 11.8350 11.8350 11.9044 11.9044 12.0549 12.0549 12.1245 12.1245 12.1805 12.1805 12.6005 12.6005 12.8133 12.8133 13.0020 13.0020 13.6437 13.6437 13.8589 13.8589 13.9251 13.9251 14.0949 14.0949 14.4730 14.4730 14.5399 14.5399 14.6755 14.6755 18.2969 18.2969 k = 0.5000 0.5153 0.1131 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5545 -0.5545 -0.5440 -0.5440 -0.1098 -0.1098 -0.0896 -0.0896 -0.0726 -0.0726 7.1958 7.1958 8.8602 8.8602 10.5030 10.5030 10.8831 10.8831 11.8420 11.8420 11.9297 11.9297 12.0526 12.0526 12.1185 12.1185 12.1671 12.1671 12.6387 12.6387 12.8235 12.8235 13.0108 13.0108 13.6283 13.6283 13.8310 13.8310 13.8947 13.8947 14.0962 14.0962 14.4781 14.4781 14.5341 14.5341 14.6808 14.6808 18.2073 18.2073 k = 0.5000 0.5153 0.1005 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5546 -0.5546 -0.5439 -0.5439 -0.1099 -0.1099 -0.0897 -0.0897 -0.0724 -0.0724 7.1908 7.1908 8.8399 8.8399 10.5421 10.5421 10.8919 10.8919 11.8484 11.8484 11.9545 11.9545 12.0501 12.0501 12.1123 12.1123 12.1544 12.1544 12.6779 12.6779 12.8346 12.8346 13.0191 13.0191 13.6103 13.6103 13.8051 13.8051 13.8654 13.8654 14.0975 14.0975 14.4827 14.4827 14.5287 14.5287 14.6855 14.6855 18.1262 18.1262 k = 0.5000 0.5153 0.0880 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5548 -0.5548 -0.5439 -0.5439 -0.1100 -0.1100 -0.0898 -0.0898 -0.0722 -0.0722 7.1862 7.1862 8.8219 8.8219 10.5775 10.5775 10.8996 10.8996 11.8547 11.8547 11.9774 11.9774 12.0477 12.0477 12.1061 12.1061 12.1428 12.1428 12.7172 12.7172 12.8465 12.8465 13.0269 13.0269 13.5892 13.5892 13.7816 13.7816 13.8380 13.8380 14.0986 14.0986 14.4866 14.4866 14.5237 14.5237 14.6897 14.6897 18.0539 18.0539 k = 0.5000 0.5153 0.0754 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5549 -0.5549 -0.5438 -0.5438 -0.1101 -0.1101 -0.0899 -0.0899 -0.0719 -0.0719 7.1821 7.1821 8.8062 8.8062 10.6090 10.6090 10.9063 10.9063 11.8609 11.8609 11.9974 11.9974 12.0454 12.0454 12.1001 12.1001 12.1329 12.1329 12.7557 12.7557 12.8590 12.8590 13.0340 13.0340 13.5655 13.5655 13.7604 13.7604 13.8136 13.8136 14.0996 14.0996 14.4900 14.4900 14.5194 14.5194 14.6933 14.6933 17.9908 17.9908 k = 0.5000 0.5153 0.0628 ( 2404 PWs) bands (ev): -64.8603 -64.8603 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5550 -0.5550 -0.5438 -0.5438 -0.1102 -0.1102 -0.0900 -0.0900 -0.0718 -0.0718 7.1785 7.1785 8.7929 8.7929 10.6363 10.6363 10.9120 10.9120 11.8669 11.8669 12.0132 12.0132 12.0435 12.0435 12.0946 12.0946 12.1255 12.1255 12.7921 12.7921 12.8718 12.8718 13.0405 13.0405 13.5401 13.5401 13.7410 13.7410 13.7932 13.7932 14.1004 14.1004 14.4925 14.4925 14.5159 14.5159 14.6964 14.6964 17.9370 17.9370 k = 0.5000 0.5153 0.0503 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5551 -0.5551 -0.5438 -0.5438 -0.1103 -0.1103 -0.0900 -0.0900 -0.0716 -0.0716 7.1756 7.1756 8.7820 8.7820 10.6590 10.6590 10.9166 10.9166 11.8725 11.8725 12.0239 12.0239 12.0422 12.0422 12.0896 12.0896 12.1212 12.1212 12.8247 12.8247 12.8845 12.8845 13.0463 13.0463 13.5146 13.5146 13.7232 13.7232 13.7775 13.7775 14.1010 14.1010 14.4944 14.4944 14.5132 14.5132 14.6989 14.6989 17.8927 17.8927 k = 0.5000 0.5153 0.0377 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2104 -33.2104 -33.2032 -33.2032 -0.5551 -0.5551 -0.5437 -0.5437 -0.1104 -0.1104 -0.0901 -0.0901 -0.0715 -0.0715 7.1732 7.1732 8.7735 8.7735 10.6769 10.6769 10.9201 10.9201 11.8774 11.8774 12.0296 12.0296 12.0416 12.0416 12.0853 12.0853 12.1200 12.1200 12.8514 12.8514 12.8971 12.8971 13.0512 13.0512 13.4909 13.4909 13.7077 13.7077 13.7664 13.7664 14.1015 14.1015 14.4954 14.4954 14.5115 14.5115 14.7008 14.7008 17.8581 17.8581 k = 0.5000 0.5153 0.0251 ( 2396 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5437 -0.5437 -0.1104 -0.1104 -0.0901 -0.0901 -0.0714 -0.0714 7.1715 7.1715 8.7675 8.7675 10.6899 10.6899 10.9227 10.9227 11.8812 11.8812 12.0319 12.0319 12.0411 12.0411 12.0821 12.0821 12.1209 12.1209 12.8702 12.8702 12.9090 12.9090 13.0551 13.0551 13.4713 13.4713 13.6955 13.6955 13.7591 13.7591 14.1019 14.1019 14.4958 14.4958 14.5106 14.5106 14.7022 14.7022 17.8332 17.8332 k = 0.5000 0.5153 0.0126 ( 2396 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5437 -0.5437 -0.1105 -0.1105 -0.0901 -0.0901 -0.0714 -0.0714 7.1704 7.1704 8.7638 8.7638 10.6978 10.6978 10.9242 10.9242 11.8837 11.8837 12.0329 12.0329 12.0402 12.0402 12.0802 12.0802 12.1221 12.1221 12.8808 12.8808 12.9181 12.9181 13.0577 13.0577 13.4584 13.4584 13.6877 13.6877 13.7550 13.7550 14.1021 14.1021 14.4958 14.4958 14.5102 14.5102 14.7030 14.7030 17.8183 17.8183 k = 0.5000 0.5153-0.0000 ( 2400 PWs) bands (ev): -64.8602 -64.8602 -34.4712 -34.4712 -33.2103 -33.2103 -33.2032 -33.2032 -0.5552 -0.5552 -0.5437 -0.5437 -0.1105 -0.1105 -0.0901 -0.0901 -0.0714 -0.0714 7.1701 7.1701 8.7626 8.7626 10.7004 10.7004 10.9247 10.9247 11.8845 11.8845 12.0333 12.0333 12.0397 12.0397 12.0795 12.0795 12.1227 12.1227 12.8841 12.8841 12.9215 12.9215 13.0587 13.0587 13.4538 13.4538 13.6849 13.6849 13.7536 13.7536 14.1022 14.1022 14.4958 14.4958 14.5101 14.5101 14.7032 14.7032 17.8133 17.8133 k = 0.0000 0.0000 0.6967 ( 2422 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2111 -33.2111 -33.2023 -33.2023 -0.5541 -0.5541 -0.5472 -0.5472 -0.1104 -0.1104 -0.0928 -0.0928 -0.0738 -0.0738 7.0573 7.0573 8.5949 8.5949 10.7612 10.7612 10.8542 10.8542 11.8363 11.8363 11.8953 11.8953 11.9516 11.9516 12.1309 12.1309 12.2717 12.2717 13.0434 13.0434 13.0734 13.0734 13.1376 13.1376 13.5068 13.5068 13.6909 13.6909 13.8738 13.8738 13.9044 13.9044 14.5253 14.5253 14.5886 14.5886 14.6731 14.6731 18.0871 18.0871 k = 0.0089 0.0092 0.6967 ( 2416 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2111 -33.2111 -33.2023 -33.2023 -0.5541 -0.5541 -0.5472 -0.5472 -0.1103 -0.1103 -0.0928 -0.0928 -0.0738 -0.0738 7.0578 7.0578 8.5962 8.5962 10.7586 10.7586 10.8537 10.8537 11.8346 11.8346 11.8963 11.8963 11.9532 11.9532 12.1315 12.1315 12.2693 12.2693 13.0407 13.0407 13.0689 13.0689 13.1342 13.1342 13.5118 13.5118 13.6948 13.6948 13.8738 13.8738 13.9062 13.9062 14.5257 14.5257 14.5884 14.5884 14.6730 14.6730 18.0926 18.0926 k = 0.0179 0.0184 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2111 -33.2111 -33.2023 -33.2023 -0.5540 -0.5540 -0.5472 -0.5472 -0.1103 -0.1103 -0.0928 -0.0928 -0.0738 -0.0738 7.0594 7.0594 8.6001 8.6001 10.7510 10.7510 10.8523 10.8523 11.8300 11.8300 11.8989 11.8989 11.9579 11.9579 12.1333 12.1333 12.2623 12.2623 13.0323 13.0323 13.0554 13.0554 13.1261 13.1261 13.5252 13.5252 13.7061 13.7061 13.8737 13.8737 13.9116 13.9116 14.5270 14.5270 14.5876 14.5876 14.6723 14.6723 18.1090 18.1090 k = 0.0268 0.0276 0.6967 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2111 -33.2111 -33.2023 -33.2023 -0.5540 -0.5540 -0.5472 -0.5472 -0.1102 -0.1102 -0.0928 -0.0928 -0.0739 -0.0739 7.0619 7.0619 8.6065 8.6065 10.7384 10.7384 10.8499 10.8499 11.8235 11.8235 11.9024 11.9024 11.9655 11.9655 12.1358 12.1358 12.2511 12.2511 13.0151 13.0151 13.0359 13.0359 13.1166 13.1166 13.5444 13.5444 13.7239 13.7239 13.8736 13.8736 13.9205 13.9205 14.5289 14.5289 14.5864 14.5864 14.6712 14.6712 18.1363 18.1363 k = 0.0357 0.0368 0.6967 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5538 -0.5538 -0.5472 -0.5472 -0.1100 -0.1100 -0.0927 -0.0927 -0.0740 -0.0740 7.0655 7.0655 8.6154 8.6154 10.7210 10.7210 10.8466 10.8466 11.8161 11.8161 11.9062 11.9062 11.9754 11.9754 12.1381 12.1381 12.2366 12.2366 12.9842 12.9842 13.0182 13.0182 13.1075 13.1075 13.5662 13.5662 13.7471 13.7471 13.8735 13.8735 13.9330 13.9330 14.5317 14.5317 14.5847 14.5847 14.6697 14.6697 18.1745 18.1745 k = 0.0446 0.0460 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5537 -0.5537 -0.5472 -0.5472 -0.1099 -0.1099 -0.0927 -0.0927 -0.0741 -0.0741 7.0699 7.0699 8.6269 8.6269 10.6989 10.6989 10.8422 10.8422 11.8084 11.8084 11.9102 11.9102 11.9872 11.9872 12.1382 12.1382 12.2211 12.2211 12.9437 12.9437 13.0019 13.0019 13.0985 13.0985 13.5883 13.5883 13.7742 13.7742 13.8735 13.8735 13.9489 13.9489 14.5350 14.5350 14.5826 14.5826 14.6676 14.6676 18.2231 18.2231 k = 0.0536 0.0552 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5536 -0.5536 -0.5472 -0.5472 -0.1098 -0.1098 -0.0926 -0.0926 -0.0742 -0.0742 7.0753 7.0753 8.6409 8.6409 10.6724 10.6724 10.8369 10.8369 11.8009 11.8009 11.9144 11.9144 12.0005 12.0005 12.1324 12.1324 12.2086 12.2086 12.8984 12.8984 12.9858 12.9858 13.0892 13.0892 13.6093 13.6093 13.8043 13.8043 13.8736 13.8736 13.9681 13.9681 14.5389 14.5389 14.5800 14.5800 14.6651 14.6651 18.2822 18.2822 k = 0.0625 0.0644 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5535 -0.5535 -0.5472 -0.5472 -0.1096 -0.1096 -0.0926 -0.0926 -0.0744 -0.0744 7.0816 7.0816 8.6574 8.6574 10.6417 10.6417 10.8305 10.8305 11.7938 11.7938 11.9187 11.9187 12.0148 12.0148 12.1165 12.1165 12.2033 12.2033 12.8503 12.8503 12.9699 12.9699 13.0794 13.0794 13.6283 13.6283 13.8357 13.8357 13.8744 13.8744 13.9901 13.9901 14.5430 14.5430 14.5772 14.5772 14.6621 14.6621 18.3514 18.3514 k = 0.0714 0.0736 0.6967 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5533 -0.5533 -0.5472 -0.5472 -0.1094 -0.1094 -0.0925 -0.0925 -0.0745 -0.0745 7.0886 7.0886 8.6764 8.6764 10.6071 10.6071 10.8231 10.8231 11.7874 11.7874 11.9234 11.9234 12.0298 12.0298 12.0914 12.0914 12.2048 12.2048 12.8011 12.8011 12.9547 12.9547 13.0690 13.0690 13.6451 13.6451 13.8627 13.8627 13.8804 13.8804 14.0143 14.0143 14.5470 14.5470 14.5745 14.5745 14.6586 14.6586 18.4304 18.4304 k = 0.0804 0.0828 0.6967 ( 2422 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5531 -0.5531 -0.5472 -0.5472 -0.1092 -0.1092 -0.0924 -0.0924 -0.0747 -0.0747 7.0964 7.0964 8.6978 8.6978 10.5689 10.5689 10.8146 10.8146 11.7817 11.7817 11.9283 11.9283 12.0448 12.0448 12.0610 12.0610 12.2101 12.2101 12.7516 12.7516 12.9405 12.9405 13.0579 13.0579 13.6598 13.6598 13.8694 13.8694 13.9074 13.9074 14.0402 14.0402 14.5502 14.5502 14.5724 14.5724 14.6546 14.6546 18.5190 18.5190 k = 0.0893 0.0920 0.6967 ( 2426 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5529 -0.5529 -0.5472 -0.5472 -0.1090 -0.1090 -0.0923 -0.0923 -0.0750 -0.0750 7.1048 7.1048 8.7217 8.7217 10.5273 10.5273 10.8050 10.8050 11.7769 11.7769 11.9335 11.9335 12.0259 12.0259 12.0619 12.0619 12.2168 12.2168 12.7027 12.7027 12.9273 12.9273 13.0463 13.0463 13.6726 13.6726 13.8700 13.8700 13.9402 13.9402 14.0670 14.0670 14.5512 14.5512 14.5722 14.5722 14.6502 14.6502 18.6167 18.6167 k = 0.0982 0.1012 0.6967 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5527 -0.5527 -0.5472 -0.5472 -0.1087 -0.1087 -0.0921 -0.0921 -0.0752 -0.0752 7.1138 7.1138 8.7480 8.7480 10.4828 10.4828 10.7945 10.7945 11.7729 11.7729 11.9387 11.9387 11.9907 11.9907 12.0778 12.0778 12.2237 12.2237 12.6550 12.6550 12.9153 12.9153 13.0341 13.0341 13.6839 13.6839 13.8698 13.8698 13.9735 13.9735 14.0942 14.0942 14.5494 14.5494 14.5744 14.5744 14.6456 14.6456 18.7232 18.7232 k = 0.1071 0.1104 0.6967 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5525 -0.5525 -0.5472 -0.5472 -0.1085 -0.1085 -0.0920 -0.0920 -0.0754 -0.0754 7.1232 7.1232 8.7766 8.7766 10.4354 10.4354 10.7829 10.7829 11.7700 11.7700 11.9416 11.9416 11.9574 11.9574 12.0939 12.0939 12.2298 12.2298 12.6093 12.6093 12.9045 12.9045 13.0215 13.0215 13.6939 13.6939 13.8693 13.8693 14.0062 14.0062 14.1214 14.1214 14.5453 14.5453 14.5781 14.5781 14.6407 14.6407 18.8381 18.8381 k = 0.1161 0.1196 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5522 -0.5522 -0.5472 -0.5472 -0.1082 -0.1082 -0.0918 -0.0918 -0.0757 -0.0757 7.1330 7.1330 8.8076 8.8076 10.3856 10.3856 10.7704 10.7704 11.7679 11.7679 11.9167 11.9167 11.9527 11.9527 12.1099 12.1099 12.2345 12.2345 12.5663 12.5663 12.8947 12.8947 13.0086 13.0086 13.7029 13.7029 13.8687 13.8687 14.0382 14.0382 14.1480 14.1480 14.5401 14.5401 14.5818 14.5818 14.6360 14.6360 18.9610 18.9610 k = 0.1250 0.1288 0.6967 ( 2414 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5520 -0.5520 -0.5472 -0.5472 -0.1079 -0.1079 -0.0916 -0.0916 -0.0759 -0.0759 7.1430 7.1430 8.8408 8.8408 10.3336 10.3336 10.7571 10.7571 11.7667 11.7667 11.8829 11.8829 11.9582 11.9582 12.1255 12.1255 12.2368 12.2368 12.5268 12.5268 12.8860 12.8860 12.9955 12.9955 13.7112 13.7112 13.8678 13.8678 14.0693 14.0693 14.1738 14.1738 14.5340 14.5340 14.5846 14.5846 14.6320 14.6320 19.0915 19.0915 k = 0.1339 0.1380 0.6967 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5518 -0.5518 -0.5473 -0.5473 -0.1077 -0.1077 -0.0914 -0.0914 -0.0762 -0.0762 7.1532 7.1532 8.8763 8.8763 10.2797 10.2797 10.7430 10.7430 11.7657 11.7657 11.8510 11.8510 11.9641 11.9641 12.1405 12.1405 12.2361 12.2361 12.4919 12.4919 12.8782 12.8782 12.9825 12.9825 13.7189 13.7189 13.8668 13.8668 14.0994 14.0994 14.1986 14.1986 14.5273 14.5273 14.5851 14.5851 14.6296 14.6296 19.2291 19.2291 k = 0.1429 0.1472 0.6967 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2023 -33.2023 -0.5515 -0.5515 -0.5473 -0.5473 -0.1075 -0.1075 -0.0912 -0.0912 -0.0765 -0.0765 7.1633 7.1633 8.9139 8.9139 10.2241 10.2241 10.7284 10.7284 11.7638 11.7638 11.8230 11.8230 11.9702 11.9702 12.1542 12.1542 12.2317 12.2317 12.4625 12.4625 12.8712 12.8712 12.9695 12.9695 13.7261 13.7261 13.8656 13.8656 14.1286 14.1286 14.2223 14.2223 14.5201 14.5201 14.5827 14.5827 14.6294 14.6294 19.3733 19.3733 k = 0.1518 0.1564 0.6967 ( 2418 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5513 -0.5513 -0.5473 -0.5473 -0.1073 -0.1073 -0.0909 -0.0909 -0.0768 -0.0768 7.1733 7.1733 8.9537 8.9537 10.1670 10.1670 10.7135 10.7135 11.7571 11.7571 11.8033 11.8033 11.9760 11.9760 12.1651 12.1651 12.2245 12.2245 12.4395 12.4395 12.8651 12.8651 12.9568 12.9568 13.7329 13.7329 13.8643 13.8643 14.1567 14.1567 14.2448 14.2448 14.5125 14.5125 14.5773 14.5773 14.6313 14.6313 19.5237 19.5237 k = 0.1607 0.1656 0.6967 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5510 -0.5510 -0.5473 -0.5473 -0.1070 -0.1070 -0.0906 -0.0906 -0.0771 -0.0771 7.1830 7.1830 8.9955 8.9955 10.1088 10.1088 10.6985 10.6985 11.7416 11.7416 11.7962 11.7962 11.9816 11.9816 12.1692 12.1692 12.2184 12.2184 12.4227 12.4227 12.8598 12.8598 12.9445 12.9445 13.7394 13.7394 13.8627 13.8627 14.1838 14.1838 14.2662 14.2662 14.5045 14.5045 14.5696 14.5696 14.6346 14.6346 19.6797 19.6797 k = 0.1696 0.1748 0.6967 ( 2404 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5507 -0.5507 -0.5474 -0.5474 -0.1068 -0.1068 -0.0904 -0.0904 -0.0774 -0.0774 7.1923 7.1923 9.0393 9.0393 10.0496 10.0496 10.6837 10.6837 11.7214 11.7214 11.7976 11.7976 11.9866 11.9866 12.1610 12.1610 12.2199 12.2199 12.4112 12.4112 12.8552 12.8552 12.9327 12.9327 13.7456 13.7456 13.8611 13.8611 14.2099 14.2099 14.2863 14.2863 14.4962 14.4962 14.5602 14.5602 14.6386 14.6386 19.8407 19.8407 k = 0.1786 0.1840 0.6967 ( 2404 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5505 -0.5505 -0.5474 -0.5474 -0.1066 -0.1066 -0.0901 -0.0901 -0.0777 -0.0777 7.2011 7.2011 9.0850 9.0850 9.9898 9.9898 10.6693 10.6693 11.7012 11.7012 11.8031 11.8031 11.9907 11.9907 12.1432 12.1432 12.2277 12.2277 12.4038 12.4038 12.8512 12.8512 12.9216 12.9216 13.7515 13.7515 13.8592 13.8592 14.2348 14.2348 14.3052 14.3052 14.4875 14.4875 14.5496 14.5496 14.6428 14.6428 20.0061 20.0061 k = 0.1875 0.1932 0.6967 ( 2392 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5502 -0.5502 -0.5474 -0.5474 -0.1064 -0.1064 -0.0898 -0.0898 -0.0780 -0.0780 7.2092 7.2092 9.1325 9.1325 9.9294 9.9294 10.6557 10.6557 11.6826 11.6826 11.8110 11.8110 11.9936 11.9936 12.1218 12.1218 12.2375 12.2375 12.3990 12.3990 12.8479 12.8479 12.9113 12.9113 13.7570 13.7570 13.8573 13.8573 14.2588 14.2588 14.3232 14.3232 14.4785 14.4785 14.5380 14.5380 14.6468 14.6468 20.1749 20.1749 k = 0.1964 0.2024 0.6967 ( 2394 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5500 -0.5500 -0.5475 -0.5475 -0.1063 -0.1063 -0.0896 -0.0896 -0.0783 -0.0783 7.2165 7.2165 9.1817 9.1817 9.8687 9.8687 10.6432 10.6432 11.6663 11.6663 11.8207 11.8207 11.9945 11.9945 12.1002 12.1002 12.2474 12.2474 12.3960 12.3960 12.8453 12.8453 12.9020 12.9020 13.7622 13.7622 13.8553 13.8553 14.2815 14.2815 14.3399 14.3399 14.4692 14.4692 14.5256 14.5256 14.6506 14.6506 20.3459 20.3459 k = 0.2054 0.2116 0.6967 ( 2394 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5498 -0.5498 -0.5476 -0.5476 -0.1061 -0.1061 -0.0893 -0.0893 -0.0785 -0.0785 7.2229 7.2229 9.2326 9.2326 9.8080 9.8080 10.6321 10.6321 11.6525 11.6525 11.8318 11.8318 11.9923 11.9923 12.0810 12.0810 12.2566 12.2566 12.3939 12.3939 12.8432 12.8432 12.8937 12.8937 13.7669 13.7669 13.8534 13.8534 14.3031 14.3031 14.3557 14.3557 14.4597 14.4597 14.5126 14.5126 14.6539 14.6539 20.5173 20.5173 k = 0.2143 0.2208 0.6967 ( 2406 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5497 -0.5497 -0.5477 -0.5477 -0.1061 -0.1061 -0.0891 -0.0891 -0.0788 -0.0788 7.2283 7.2283 9.2851 9.2851 9.7473 9.7473 10.6225 10.6225 11.6412 11.6412 11.8443 11.8443 11.9857 11.9857 12.0663 12.0663 12.2646 12.2646 12.3924 12.3924 12.8416 12.8416 12.8866 12.8866 13.7710 13.7710 13.8515 13.8515 14.3234 14.3234 14.3703 14.3703 14.4500 14.4500 14.4991 14.4991 14.6566 14.6566 20.6861 20.6861 k = 0.2232 0.2300 0.6967 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2110 -33.2110 -33.2024 -33.2024 -0.5496 -0.5496 -0.5477 -0.5477 -0.1061 -0.1061 -0.0890 -0.0890 -0.0790 -0.0790 7.2325 7.2325 9.3390 9.3390 9.6870 9.6870 10.6149 10.6149 11.6325 11.6325 11.8577 11.8577 11.9745 11.9745 12.0570 12.0570 12.2712 12.2712 12.3912 12.3912 12.8406 12.8406 12.8809 12.8809 13.7744 13.7744 13.8498 13.8498 14.3424 14.3424 14.3834 14.3834 14.4407 14.4407 14.4855 14.4855 14.6589 14.6589 20.8470 20.8470 k = 0.2321 0.2392 0.6967 ( 2404 PWs) bands (ev): -64.8602 -64.8602 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5494 -0.5494 -0.5477 -0.5477 -0.1060 -0.1060 -0.0888 -0.0888 -0.0791 -0.0791 7.2356 7.2356 9.3942 9.3942 9.6271 9.6271 10.6093 10.6093 11.6262 11.6262 11.8715 11.8715 11.9605 11.9605 12.0521 12.0521 12.2761 12.2761 12.3904 12.3904 12.8399 12.8399 12.8766 12.8766 13.7770 13.7770 13.8485 13.8485 14.3598 14.3598 14.3930 14.3930 14.4335 14.4335 14.4722 14.4722 14.6605 14.6605 20.9901 20.9901 k = 0.2411 0.2484 0.6967 ( 2408 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5494 -0.5494 -0.5478 -0.5478 -0.1060 -0.1060 -0.0887 -0.0887 -0.0792 -0.0792 7.2375 7.2375 9.4506 9.4506 9.5678 9.5678 10.6058 10.6058 11.6225 11.6225 11.8837 11.8837 11.9473 11.9473 12.0499 12.0499 12.2792 12.2792 12.3899 12.3899 12.8396 12.8396 12.8740 12.8740 13.7787 13.7787 13.8476 13.8476 14.3752 14.3752 14.3946 14.3946 14.4321 14.4321 14.4604 14.4604 14.6615 14.6615 21.0962 21.0962 k = 0.2500 0.2576 0.6967 ( 2412 PWs) bands (ev): -64.8603 -64.8603 -34.4711 -34.4711 -33.2109 -33.2109 -33.2024 -33.2024 -0.5494 -0.5494 -0.5478 -0.5478 -0.1060 -0.1060 -0.0887 -0.0887 -0.0793 -0.0793 7.2381 7.2381 9.5067 9.5067 9.5108 9.5108 10.6047 10.6047 11.6212 11.6212 11.8894 11.8894 11.9411 11.9411 12.0493 12.0493 12.2802 12.2802 12.3897 12.3897 12.8395 12.8395 12.8731 12.8731 13.7792 13.7792 13.8473 13.8473 14.3858 14.3858 14.3888 14.3888 14.4341 14.4341 14.4548 14.4548 14.6618 14.6618 21.1371 21.1371 Writing output data file MnGaNi2.save init_run : 4.31s CPU 14.04s WALL ( 1 calls) electrons : 652.11s CPU 659.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 652.09s CPU 659.29s WALL ( 1 calls) v_of_rho : 0.22s CPU 0.99s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.21s CPU 0.63s WALL ( 1 calls) newd : 0.59s CPU 0.81s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 411 calls) cegterg : 603.55s CPU 607.73s WALL ( 532 calls) Called by sum_band: Called by *egterg: h_psi : 241.16s CPU 247.51s WALL ( 9071 calls) s_psi : 31.91s CPU 32.20s WALL ( 9071 calls) g_psi : 0.48s CPU 0.50s WALL ( 8128 calls) cdiaghg : 256.54s CPU 254.90s WALL ( 8539 calls) cegterg:over : 57.09s CPU 55.38s WALL ( 8128 calls) cegterg:upda : 8.52s CPU 10.42s WALL ( 8128 calls) cegterg:last : 7.73s CPU 8.43s WALL ( 1859 calls) Called by h_psi: h_psi:vloc : 184.46s CPU 189.22s WALL ( 9071 calls) h_psi:vnl : 56.56s CPU 57.79s WALL ( 9071 calls) add_vuspsi : 20.47s CPU 23.18s WALL ( 9071 calls) General routines calbec : 36.04s CPU 34.52s WALL ( 9071 calls) fft : 0.32s CPU 1.21s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 168.17s CPU 170.99s WALL ( 1402512 calls) interpolate : 0.04s CPU 0.05s WALL ( 4 calls) davcio : 0.03s CPU 1.81s WALL ( 822 calls) Parallel routines fft_scatter : 115.41s CPU 116.99s WALL ( 1402535 calls) PWSCF : 11m55.37s CPU 13m35.57s WALL This run was terminated on: 23:47:42 7Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=