Program PWSCF v.5.1.1 starts on 12Jun2016 at 13:26:39 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: ./CdSiAs2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 171 47 13 7221 1030 156 Max 172 48 14 7223 1058 159 Sum 8225 2275 643 346663 50175 7535 bravais-lattice index = 14 lattice parameter (alat) = 12.9437 a.u. unit-cell volume = 1271.5348 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.943679 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.630899 celldm(5)= -0.630899 celldm(6)= 0.261798 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.261798 0.965123 0.000000 ) a(3) = ( -0.630899 -0.482561 0.607537 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.271259 0.822995 ) b(2) = ( 0.000000 1.036138 0.822995 ) b(3) = ( 0.000000 0.000000 1.645991 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Cd 12.00 112.41100 Cd( 1.00) As 5.00 74.92160 As( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3037684 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 268 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0000000 0.0000000 0.0216578), wk = 0.0037313 k( 3) = ( 0.0000000 0.0000000 0.0433155), wk = 0.0037313 k( 4) = ( 0.0000000 0.0000000 0.0649733), wk = 0.0037313 k( 5) = ( 0.0000000 0.0000000 0.0866311), wk = 0.0037313 k( 6) = ( 0.0000000 0.0000000 0.1082889), wk = 0.0037313 k( 7) = ( 0.0000000 0.0000000 0.1299466), wk = 0.0037313 k( 8) = ( 0.0000000 0.0000000 0.1516044), wk = 0.0037313 k( 9) = ( 0.0000000 0.0000000 0.1732622), wk = 0.0037313 k( 10) = ( 0.0000000 0.0000000 0.1949200), wk = 0.0037313 k( 11) = ( 0.0000000 0.0000000 0.2165777), wk = 0.0037313 k( 12) = ( 0.0000000 0.0000000 0.2382355), wk = 0.0037313 k( 13) = ( 0.0000000 0.0000000 0.2598933), wk = 0.0037313 k( 14) = ( 0.0000000 0.0000000 0.2815511), wk = 0.0037313 k( 15) = ( 0.0000000 0.0000000 0.3032088), wk = 0.0037313 k( 16) = ( 0.0000000 0.0000000 0.3248666), wk = 0.0037313 k( 17) = ( 0.0000000 0.0000000 0.3465244), wk = 0.0037313 k( 18) = ( 0.0000000 0.0000000 0.3681822), wk = 0.0037313 k( 19) = ( 0.0000000 0.0000000 0.3898399), wk = 0.0037313 k( 20) = ( 0.0000000 0.0000000 0.4114977), wk = 0.0037313 k( 21) = ( 0.0000000 0.0000000 0.4331555), wk = 0.0037313 k( 22) = ( 0.0000000 0.0000000 0.4548133), wk = 0.0037313 k( 23) = ( 0.0000000 0.0000000 0.4764710), wk = 0.0037313 k( 24) = ( 0.0000000 0.0000000 0.4981288), wk = 0.0037313 k( 25) = ( 0.0000000 0.0000000 0.5197866), wk = 0.0037313 k( 26) = ( 0.0000000 0.0000000 0.5414444), wk = 0.0037313 k( 27) = ( 0.0000000 0.0000000 0.5631021), wk = 0.0037313 k( 28) = ( 0.0000000 0.0000000 0.5847599), wk = 0.0037313 k( 29) = ( 0.0000000 0.0000000 0.6064177), wk = 0.0037313 k( 30) = ( 0.0000000 0.0000000 0.6280755), wk = 0.0037313 k( 31) = ( 0.0000000 0.0000000 0.6497332), wk = 0.0037313 k( 32) = ( 0.0000000 0.0000000 0.6713910), wk = 0.0037313 k( 33) = ( 0.0000000 0.0000000 0.6930488), wk = 0.0037313 k( 34) = ( 0.0000000 0.0000000 0.7147066), wk = 0.0037313 k( 35) = ( 0.0000000 0.0000000 0.7363643), wk = 0.0037313 k( 36) = ( 0.0000000 0.0000000 0.7580221), wk = 0.0037313 k( 37) = ( 0.0000000 0.0000000 0.7796799), wk = 0.0037313 k( 38) = ( 0.0000000 0.0000000 0.8013377), wk = 0.0037313 k( 39) = ( 0.0000000 0.0000000 0.8229954), wk = 0.0037313 k( 40) = ( 0.0000000 0.0000000 0.8229954), wk = 0.0037313 k( 41) = ( -0.0121883 0.0159350 0.8229954), wk = 0.0037313 k( 42) = ( -0.0243766 0.0318699 0.8229954), wk = 0.0037313 k( 43) = ( -0.0365650 0.0478049 0.8229954), wk = 0.0037313 k( 44) = ( -0.0487533 0.0637399 0.8229954), wk = 0.0037313 k( 45) = ( -0.0609416 0.0796749 0.8229954), wk = 0.0037313 k( 46) = ( -0.0731300 0.0956099 0.8229954), wk = 0.0037313 k( 47) = ( -0.0853183 0.1115448 0.8229954), wk = 0.0037313 k( 48) = ( -0.0975066 0.1274798 0.8229954), wk = 0.0037313 k( 49) = ( -0.1096949 0.1434148 0.8229954), wk = 0.0037313 k( 50) = ( -0.1218833 0.1593498 0.8229954), wk = 0.0037313 k( 51) = ( -0.1340716 0.1752847 0.8229954), wk = 0.0037313 k( 52) = ( -0.1462599 0.1912197 0.8229954), wk = 0.0037313 k( 53) = ( -0.1462599 0.1912197 0.8229954), wk = 0.0037313 k( 54) = ( -0.1555689 0.2033902 0.8076730), wk = 0.0037313 k( 55) = ( -0.1648778 0.2155607 0.7923505), wk = 0.0037313 k( 56) = ( -0.1741868 0.2277312 0.7770281), wk = 0.0037313 k( 57) = ( -0.1834957 0.2399017 0.7617056), wk = 0.0037313 k( 58) = ( -0.1928047 0.2520722 0.7463832), wk = 0.0037313 k( 59) = ( -0.2021136 0.2642426 0.7310607), wk = 0.0037313 k( 60) = ( -0.2114226 0.2764131 0.7157383), wk = 0.0037313 k( 61) = ( -0.2207315 0.2885836 0.7004158), wk = 0.0037313 k( 62) = ( -0.2300405 0.3007541 0.6850934), wk = 0.0037313 k( 63) = ( -0.2393494 0.3129246 0.6697710), wk = 0.0037313 k( 64) = ( -0.2486584 0.3250951 0.6544485), wk = 0.0037313 k( 65) = ( -0.2579673 0.3372656 0.6391261), wk = 0.0037313 k( 66) = ( -0.2672763 0.3494361 0.6238036), wk = 0.0037313 k( 67) = ( -0.2765852 0.3616066 0.6084812), wk = 0.0037313 k( 68) = ( -0.2858942 0.3737770 0.5931587), wk = 0.0037313 k( 69) = ( -0.2952031 0.3859475 0.5778363), wk = 0.0037313 k( 70) = ( -0.3045121 0.3981180 0.5625138), wk = 0.0037313 k( 71) = ( -0.3138210 0.4102885 0.5471914), wk = 0.0037313 k( 72) = ( -0.3231300 0.4224590 0.5318690), wk = 0.0037313 k( 73) = ( -0.3231300 0.4224590 0.5318690), wk = 0.0037313 k( 74) = ( -0.3138977 0.4103887 0.5166727), wk = 0.0037313 k( 75) = ( -0.3046654 0.3983185 0.5014764), wk = 0.0037313 k( 76) = ( -0.2954331 0.3862482 0.4862802), wk = 0.0037313 k( 77) = ( -0.2862008 0.3741780 0.4710839), wk = 0.0037313 k( 78) = ( -0.2769685 0.3621077 0.4558877), wk = 0.0037313 k( 79) = ( -0.2677363 0.3500375 0.4406914), wk = 0.0037313 k( 80) = ( -0.2585040 0.3379672 0.4254952), wk = 0.0037313 k( 81) = ( -0.2492717 0.3258969 0.4102989), wk = 0.0037313 k( 82) = ( -0.2400394 0.3138267 0.3951027), wk = 0.0037313 k( 83) = ( -0.2308071 0.3017564 0.3799064), wk = 0.0037313 k( 84) = ( -0.2215748 0.2896862 0.3647101), wk = 0.0037313 k( 85) = ( -0.2123425 0.2776159 0.3495139), wk = 0.0037313 k( 86) = ( -0.2031103 0.2655457 0.3343176), wk = 0.0037313 k( 87) = ( -0.1938780 0.2534754 0.3191214), wk = 0.0037313 k( 88) = ( -0.1846457 0.2414051 0.3039251), wk = 0.0037313 k( 89) = ( -0.1754134 0.2293349 0.2887289), wk = 0.0037313 k( 90) = ( -0.1661811 0.2172646 0.2735326), wk = 0.0037313 k( 91) = ( -0.1569488 0.2051944 0.2583364), wk = 0.0037313 k( 92) = ( -0.1477166 0.1931241 0.2431401), wk = 0.0037313 k( 93) = ( -0.1384843 0.1810539 0.2279438), wk = 0.0037313 k( 94) = ( -0.1292520 0.1689836 0.2127476), wk = 0.0037313 k( 95) = ( -0.1200197 0.1569133 0.1975513), wk = 0.0037313 k( 96) = ( -0.1107874 0.1448431 0.1823551), wk = 0.0037313 k( 97) = ( -0.1015551 0.1327728 0.1671588), wk = 0.0037313 k( 98) = ( -0.0923228 0.1207026 0.1519626), wk = 0.0037313 k( 99) = ( -0.0830906 0.1086323 0.1367663), wk = 0.0037313 k( 100) = ( -0.0738583 0.0965621 0.1215701), wk = 0.0037313 k( 101) = ( -0.0646260 0.0844918 0.1063738), wk = 0.0037313 k( 102) = ( -0.0553937 0.0724215 0.0911775), wk = 0.0037313 k( 103) = ( -0.0461614 0.0603513 0.0759813), wk = 0.0037313 k( 104) = ( -0.0369291 0.0482810 0.0607850), wk = 0.0037313 k( 105) = ( -0.0276968 0.0362108 0.0455888), wk = 0.0037313 k( 106) = ( -0.0184646 0.0241405 0.0303925), wk = 0.0037313 k( 107) = ( -0.0092323 0.0120703 0.0151962), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 110) = ( 0.0172414 0.0131876 0.0000000), wk = 0.0037313 k( 111) = ( 0.0344828 0.0263751 0.0000000), wk = 0.0037313 k( 112) = ( 0.0517241 0.0395627 0.0000000), wk = 0.0037313 k( 113) = ( 0.0689655 0.0527503 0.0000000), wk = 0.0037313 k( 114) = ( 0.0862069 0.0659378 0.0000000), wk = 0.0037313 k( 115) = ( 0.1034483 0.0791254 0.0000000), wk = 0.0037313 k( 116) = ( 0.1206897 0.0923130 0.0000000), wk = 0.0037313 k( 117) = ( 0.1379310 0.1055005 0.0000000), wk = 0.0037313 k( 118) = ( 0.1551724 0.1186881 0.0000000), wk = 0.0037313 k( 119) = ( 0.1724138 0.1318757 0.0000000), wk = 0.0037313 k( 120) = ( 0.1896552 0.1450632 0.0000000), wk = 0.0037313 k( 121) = ( 0.2068966 0.1582508 0.0000000), wk = 0.0037313 k( 122) = ( 0.2241379 0.1714384 0.0000000), wk = 0.0037313 k( 123) = ( 0.2413793 0.1846259 0.0000000), wk = 0.0037313 k( 124) = ( 0.2586207 0.1978135 0.0000000), wk = 0.0037313 k( 125) = ( 0.2758621 0.2110011 0.0000000), wk = 0.0037313 k( 126) = ( 0.2931034 0.2241886 0.0000000), wk = 0.0037313 k( 127) = ( 0.3103448 0.2373762 0.0000000), wk = 0.0037313 k( 128) = ( 0.3275862 0.2505638 0.0000000), wk = 0.0037313 k( 129) = ( 0.3448276 0.2637513 0.0000000), wk = 0.0037313 k( 130) = ( 0.3620690 0.2769389 0.0000000), wk = 0.0037313 k( 131) = ( 0.3793103 0.2901265 0.0000000), wk = 0.0037313 k( 132) = ( 0.3965517 0.3033140 0.0000000), wk = 0.0037313 k( 133) = ( 0.4137931 0.3165016 0.0000000), wk = 0.0037313 k( 134) = ( 0.4310345 0.3296892 0.0000000), wk = 0.0037313 k( 135) = ( 0.4482759 0.3428767 0.0000000), wk = 0.0037313 k( 136) = ( 0.4655172 0.3560643 0.0000000), wk = 0.0037313 k( 137) = ( 0.4827586 0.3692519 0.0000000), wk = 0.0037313 k( 138) = ( 0.5000000 0.3824394 0.0000000), wk = 0.0037313 k( 139) = ( 0.5000000 0.3824394 0.0000000), wk = 0.0037313 k( 140) = ( 0.4906911 0.3946099 0.0153224), wk = 0.0037313 k( 141) = ( 0.4813821 0.4067804 0.0306449), wk = 0.0037313 k( 142) = ( 0.4720731 0.4189509 0.0459673), wk = 0.0037313 k( 143) = ( 0.4627642 0.4311214 0.0612898), wk = 0.0037313 k( 144) = ( 0.4534552 0.4432919 0.0766122), wk = 0.0037313 k( 145) = ( 0.4441463 0.4554624 0.0919347), wk = 0.0037313 k( 146) = ( 0.4348374 0.4676329 0.1072571), wk = 0.0037313 k( 147) = ( 0.4255284 0.4798033 0.1225796), wk = 0.0037313 k( 148) = ( 0.4162194 0.4919738 0.1379020), wk = 0.0037313 k( 149) = ( 0.4069105 0.5041443 0.1532245), wk = 0.0037313 k( 150) = ( 0.3976016 0.5163148 0.1685469), wk = 0.0037313 k( 151) = ( 0.3882926 0.5284853 0.1838694), wk = 0.0037313 k( 152) = ( 0.3789837 0.5406558 0.1991918), wk = 0.0037313 k( 153) = ( 0.3696747 0.5528263 0.2145142), wk = 0.0037313 k( 154) = ( 0.3603658 0.5649968 0.2298367), wk = 0.0037313 k( 155) = ( 0.3510568 0.5771672 0.2451591), wk = 0.0037313 k( 156) = ( 0.3417479 0.5893377 0.2604816), wk = 0.0037313 k( 157) = ( 0.3324389 0.6015082 0.2758040), wk = 0.0037313 k( 158) = ( 0.3231300 0.6136787 0.2911265), wk = 0.0037313 k( 159) = ( 0.3231300 0.6136787 0.2911265), wk = 0.0037313 k( 160) = ( 0.3041223 0.6080546 0.2982071), wk = 0.0037313 k( 161) = ( 0.2851147 0.6024305 0.3052878), wk = 0.0037313 k( 162) = ( 0.2661070 0.5968064 0.3123685), wk = 0.0037313 k( 163) = ( 0.2470994 0.5911823 0.3194491), wk = 0.0037313 k( 164) = ( 0.2280917 0.5855582 0.3265298), wk = 0.0037313 k( 165) = ( 0.2090841 0.5799341 0.3336104), wk = 0.0037313 k( 166) = ( 0.1900765 0.5743099 0.3406911), wk = 0.0037313 k( 167) = ( 0.1710688 0.5686858 0.3477718), wk = 0.0037313 k( 168) = ( 0.1520612 0.5630617 0.3548524), wk = 0.0037313 k( 169) = ( 0.1330535 0.5574376 0.3619331), wk = 0.0037313 k( 170) = ( 0.1140459 0.5518135 0.3690137), wk = 0.0037313 k( 171) = ( 0.0950382 0.5461894 0.3760944), wk = 0.0037313 k( 172) = ( 0.0760306 0.5405653 0.3831751), wk = 0.0037313 k( 173) = ( 0.0570229 0.5349412 0.3902557), wk = 0.0037313 k( 174) = ( 0.0380153 0.5293171 0.3973364), wk = 0.0037313 k( 175) = ( 0.0190076 0.5236930 0.4044171), wk = 0.0037313 k( 176) = ( 0.0000000 0.5180689 0.4114977), wk = 0.0037313 k( 177) = ( 0.0000000 0.5180689 0.4114977), wk = 0.0037313 k( 178) = ( 0.0092593 0.5059633 0.4267384), wk = 0.0037313 k( 179) = ( 0.0185185 0.4938578 0.4419790), wk = 0.0037313 k( 180) = ( 0.0277778 0.4817523 0.4572197), wk = 0.0037313 k( 181) = ( 0.0370370 0.4696468 0.4724603), wk = 0.0037313 k( 182) = ( 0.0462963 0.4575412 0.4877010), wk = 0.0037313 k( 183) = ( 0.0555556 0.4454357 0.5029417), wk = 0.0037313 k( 184) = ( 0.0648148 0.4333302 0.5181823), wk = 0.0037313 k( 185) = ( 0.0740741 0.4212247 0.5334229), wk = 0.0037313 k( 186) = ( 0.0833333 0.4091191 0.5486636), wk = 0.0037313 k( 187) = ( 0.0925926 0.3970136 0.5639043), wk = 0.0037313 k( 188) = ( 0.1018518 0.3849081 0.5791449), wk = 0.0037313 k( 189) = ( 0.1111111 0.3728026 0.5943856), wk = 0.0037313 k( 190) = ( 0.1203704 0.3606970 0.6096262), wk = 0.0037313 k( 191) = ( 0.1296296 0.3485915 0.6248669), wk = 0.0037313 k( 192) = ( 0.1388889 0.3364860 0.6401075), wk = 0.0037313 k( 193) = ( 0.1481482 0.3243805 0.6553482), wk = 0.0037313 k( 194) = ( 0.1574074 0.3122749 0.6705889), wk = 0.0037313 k( 195) = ( 0.1666667 0.3001694 0.6858295), wk = 0.0037313 k( 196) = ( 0.1759259 0.2880639 0.7010702), wk = 0.0037313 k( 197) = ( 0.1851852 0.2759584 0.7163108), wk = 0.0037313 k( 198) = ( 0.1944444 0.2638529 0.7315515), wk = 0.0037313 k( 199) = ( 0.2037037 0.2517473 0.7467921), wk = 0.0037313 k( 200) = ( 0.2129630 0.2396418 0.7620328), wk = 0.0037313 k( 201) = ( 0.2222222 0.2275363 0.7772734), wk = 0.0037313 k( 202) = ( 0.2314815 0.2154308 0.7925141), wk = 0.0037313 k( 203) = ( 0.2407407 0.2033252 0.8077548), wk = 0.0037313 k( 204) = ( 0.2500000 0.1912197 0.8229954), wk = 0.0037313 k( 205) = ( 0.2500000 0.1912197 0.8229954), wk = 0.0037313 k( 206) = ( 0.2631579 0.2012839 0.8103247), wk = 0.0037313 k( 207) = ( 0.2763158 0.2113481 0.7976541), wk = 0.0037313 k( 208) = ( 0.2894737 0.2214123 0.7849834), wk = 0.0037313 k( 209) = ( 0.3026316 0.2314765 0.7723128), wk = 0.0037313 k( 210) = ( 0.3157895 0.2415407 0.7596421), wk = 0.0037313 k( 211) = ( 0.3289474 0.2516049 0.7469715), wk = 0.0037313 k( 212) = ( 0.3421053 0.2616691 0.7343008), wk = 0.0037313 k( 213) = ( 0.3552632 0.2717333 0.7216302), wk = 0.0037313 k( 214) = ( 0.3684211 0.2817975 0.7089595), wk = 0.0037313 k( 215) = ( 0.3815789 0.2918617 0.6962889), wk = 0.0037313 k( 216) = ( 0.3947368 0.3019259 0.6836182), wk = 0.0037313 k( 217) = ( 0.4078947 0.3119901 0.6709475), wk = 0.0037313 k( 218) = ( 0.4210526 0.3220543 0.6582769), wk = 0.0037313 k( 219) = ( 0.4342105 0.3321185 0.6456062), wk = 0.0037313 k( 220) = ( 0.4473684 0.3421826 0.6329356), wk = 0.0037313 k( 221) = ( 0.4605263 0.3522468 0.6202649), wk = 0.0037313 k( 222) = ( 0.4736842 0.3623110 0.6075942), wk = 0.0037313 k( 223) = ( 0.4868421 0.3723752 0.5949236), wk = 0.0037313 k( 224) = ( 0.5000000 0.3824394 0.5822529), wk = 0.0037313 k( 225) = ( 0.5000000 0.3824394 0.5822529), wk = 0.0037313 k( 226) = ( 0.5000000 0.3824394 0.5606880), wk = 0.0037313 k( 227) = ( 0.5000000 0.3824394 0.5391231), wk = 0.0037313 k( 228) = ( 0.5000000 0.3824394 0.5175582), wk = 0.0037313 k( 229) = ( 0.5000000 0.3824394 0.4959932), wk = 0.0037313 k( 230) = ( 0.5000000 0.3824394 0.4744283), wk = 0.0037313 k( 231) = ( 0.5000000 0.3824394 0.4528634), wk = 0.0037313 k( 232) = ( 0.5000000 0.3824394 0.4312985), wk = 0.0037313 k( 233) = ( 0.5000000 0.3824394 0.4097336), wk = 0.0037313 k( 234) = ( 0.5000000 0.3824394 0.3881686), wk = 0.0037313 k( 235) = ( 0.5000000 0.3824394 0.3666037), wk = 0.0037313 k( 236) = ( 0.5000000 0.3824394 0.3450388), wk = 0.0037313 k( 237) = ( 0.5000000 0.3824394 0.3234739), wk = 0.0037313 k( 238) = ( 0.5000000 0.3824394 0.3019089), wk = 0.0037313 k( 239) = ( 0.5000000 0.3824394 0.2803440), wk = 0.0037313 k( 240) = ( 0.5000000 0.3824394 0.2587791), wk = 0.0037313 k( 241) = ( 0.5000000 0.3824394 0.2372142), wk = 0.0037313 k( 242) = ( 0.5000000 0.3824394 0.2156492), wk = 0.0037313 k( 243) = ( 0.5000000 0.3824394 0.1940843), wk = 0.0037313 k( 244) = ( 0.5000000 0.3824394 0.1725194), wk = 0.0037313 k( 245) = ( 0.5000000 0.3824394 0.1509545), wk = 0.0037313 k( 246) = ( 0.5000000 0.3824394 0.1293895), wk = 0.0037313 k( 247) = ( 0.5000000 0.3824394 0.1078246), wk = 0.0037313 k( 248) = ( 0.5000000 0.3824394 0.0862597), wk = 0.0037313 k( 249) = ( 0.5000000 0.3824394 0.0646948), wk = 0.0037313 k( 250) = ( 0.5000000 0.3824394 0.0431298), wk = 0.0037313 k( 251) = ( 0.5000000 0.3824394 0.0215649), wk = 0.0037313 k( 252) = ( 0.5000000 0.3824394 0.0000000), wk = 0.0037313 k( 253) = ( 0.0000000 0.0000000 0.8229954), wk = 0.0037313 k( 254) = ( 0.0166667 0.0127480 0.8229954), wk = 0.0037313 k( 255) = ( 0.0333333 0.0254960 0.8229954), wk = 0.0037313 k( 256) = ( 0.0500000 0.0382439 0.8229954), wk = 0.0037313 k( 257) = ( 0.0666667 0.0509919 0.8229954), wk = 0.0037313 k( 258) = ( 0.0833333 0.0637399 0.8229954), wk = 0.0037313 k( 259) = ( 0.1000000 0.0764879 0.8229954), wk = 0.0037313 k( 260) = ( 0.1166667 0.0892359 0.8229954), wk = 0.0037313 k( 261) = ( 0.1333333 0.1019838 0.8229954), wk = 0.0037313 k( 262) = ( 0.1500000 0.1147318 0.8229954), wk = 0.0037313 k( 263) = ( 0.1666667 0.1274798 0.8229954), wk = 0.0037313 k( 264) = ( 0.1833333 0.1402278 0.8229954), wk = 0.0037313 k( 265) = ( 0.2000000 0.1529758 0.8229954), wk = 0.0037313 k( 266) = ( 0.2166667 0.1657238 0.8229954), wk = 0.0037313 k( 267) = ( 0.2333333 0.1784717 0.8229954), wk = 0.0037313 k( 268) = ( 0.2500000 0.1912197 0.8229954), wk = 0.0037313 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0037313 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0037313 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0037313 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0037313 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0037313 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0037313 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0037313 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0037313 k( 10) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0037313 k( 11) = ( 0.0000000 0.0000000 0.1315789), wk = 0.0037313 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0037313 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0037313 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0037313 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0037313 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0037313 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0037313 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0037313 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0037313 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037313 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0037313 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0037313 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0037313 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0037313 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0037313 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0037313 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0037313 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0037313 k( 29) = ( 0.0000000 0.0000000 0.3684210), wk = 0.0037313 k( 30) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0037313 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0037313 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0037313 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0037313 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0037313 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0037313 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0037313 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0037313 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0037313 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 41) = ( -0.0121883 0.0121883 0.5000000), wk = 0.0037313 k( 42) = ( -0.0243766 0.0243766 0.5000000), wk = 0.0037313 k( 43) = ( -0.0365650 0.0365650 0.5000000), wk = 0.0037313 k( 44) = ( -0.0487533 0.0487533 0.5000000), wk = 0.0037313 k( 45) = ( -0.0609416 0.0609416 0.5000000), wk = 0.0037313 k( 46) = ( -0.0731300 0.0731300 0.5000000), wk = 0.0037313 k( 47) = ( -0.0853183 0.0853183 0.5000000), wk = 0.0037313 k( 48) = ( -0.0975066 0.0975066 0.5000000), wk = 0.0037313 k( 49) = ( -0.1096949 0.1096949 0.5000000), wk = 0.0037313 k( 50) = ( -0.1218833 0.1218833 0.5000000), wk = 0.0037313 k( 51) = ( -0.1340716 0.1340716 0.5000000), wk = 0.0037313 k( 52) = ( -0.1462599 0.1462599 0.5000000), wk = 0.0037313 k( 53) = ( -0.1462599 0.1462599 0.5000000), wk = 0.0037313 k( 54) = ( -0.1555689 0.1555689 0.4906910), wk = 0.0037313 k( 55) = ( -0.1648778 0.1648778 0.4813821), wk = 0.0037313 k( 56) = ( -0.1741868 0.1741868 0.4720731), wk = 0.0037313 k( 57) = ( -0.1834957 0.1834957 0.4627642), wk = 0.0037313 k( 58) = ( -0.1928047 0.1928047 0.4534552), wk = 0.0037313 k( 59) = ( -0.2021136 0.2021136 0.4441463), wk = 0.0037313 k( 60) = ( -0.2114226 0.2114226 0.4348374), wk = 0.0037313 k( 61) = ( -0.2207315 0.2207315 0.4255284), wk = 0.0037313 k( 62) = ( -0.2300405 0.2300405 0.4162194), wk = 0.0037313 k( 63) = ( -0.2393494 0.2393494 0.4069105), wk = 0.0037313 k( 64) = ( -0.2486584 0.2486584 0.3976016), wk = 0.0037313 k( 65) = ( -0.2579673 0.2579673 0.3882926), wk = 0.0037313 k( 66) = ( -0.2672763 0.2672763 0.3789837), wk = 0.0037313 k( 67) = ( -0.2765852 0.2765852 0.3696747), wk = 0.0037313 k( 68) = ( -0.2858942 0.2858942 0.3603658), wk = 0.0037313 k( 69) = ( -0.2952031 0.2952031 0.3510568), wk = 0.0037313 k( 70) = ( -0.3045121 0.3045121 0.3417479), wk = 0.0037313 k( 71) = ( -0.3138210 0.3138210 0.3324389), wk = 0.0037313 k( 72) = ( -0.3231300 0.3231300 0.3231300), wk = 0.0037313 k( 73) = ( -0.3231300 0.3231300 0.3231300), wk = 0.0037313 k( 74) = ( -0.3138977 0.3138977 0.3138977), wk = 0.0037313 k( 75) = ( -0.3046654 0.3046654 0.3046654), wk = 0.0037313 k( 76) = ( -0.2954331 0.2954331 0.2954331), wk = 0.0037313 k( 77) = ( -0.2862008 0.2862008 0.2862008), wk = 0.0037313 k( 78) = ( -0.2769685 0.2769685 0.2769685), wk = 0.0037313 k( 79) = ( -0.2677363 0.2677362 0.2677363), wk = 0.0037313 k( 80) = ( -0.2585040 0.2585040 0.2585040), wk = 0.0037313 k( 81) = ( -0.2492717 0.2492717 0.2492717), wk = 0.0037313 k( 82) = ( -0.2400394 0.2400394 0.2400394), wk = 0.0037313 k( 83) = ( -0.2308071 0.2308071 0.2308071), wk = 0.0037313 k( 84) = ( -0.2215748 0.2215748 0.2215748), wk = 0.0037313 k( 85) = ( -0.2123425 0.2123425 0.2123425), wk = 0.0037313 k( 86) = ( -0.2031103 0.2031103 0.2031103), wk = 0.0037313 k( 87) = ( -0.1938780 0.1938780 0.1938780), wk = 0.0037313 k( 88) = ( -0.1846457 0.1846457 0.1846457), wk = 0.0037313 k( 89) = ( -0.1754134 0.1754134 0.1754134), wk = 0.0037313 k( 90) = ( -0.1661811 0.1661811 0.1661811), wk = 0.0037313 k( 91) = ( -0.1569488 0.1569488 0.1569488), wk = 0.0037313 k( 92) = ( -0.1477166 0.1477165 0.1477166), wk = 0.0037313 k( 93) = ( -0.1384843 0.1384843 0.1384843), wk = 0.0037313 k( 94) = ( -0.1292520 0.1292520 0.1292520), wk = 0.0037313 k( 95) = ( -0.1200197 0.1200197 0.1200197), wk = 0.0037313 k( 96) = ( -0.1107874 0.1107874 0.1107874), wk = 0.0037313 k( 97) = ( -0.1015551 0.1015551 0.1015551), wk = 0.0037313 k( 98) = ( -0.0923228 0.0923228 0.0923228), wk = 0.0037313 k( 99) = ( -0.0830906 0.0830906 0.0830906), wk = 0.0037313 k( 100) = ( -0.0738583 0.0738583 0.0738583), wk = 0.0037313 k( 101) = ( -0.0646260 0.0646260 0.0646260), wk = 0.0037313 k( 102) = ( -0.0553937 0.0553937 0.0553937), wk = 0.0037313 k( 103) = ( -0.0461614 0.0461614 0.0461614), wk = 0.0037313 k( 104) = ( -0.0369291 0.0369291 0.0369291), wk = 0.0037313 k( 105) = ( -0.0276968 0.0276968 0.0276968), wk = 0.0037313 k( 106) = ( -0.0184646 0.0184646 0.0184646), wk = 0.0037313 k( 107) = ( -0.0092323 0.0092323 0.0092323), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 110) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0037313 k( 111) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0037313 k( 112) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0037313 k( 113) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0037313 k( 114) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0037313 k( 115) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0037313 k( 116) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0037313 k( 117) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0037313 k( 118) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0037313 k( 119) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0037313 k( 120) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0037313 k( 121) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0037313 k( 122) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0037313 k( 123) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0037313 k( 124) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0037313 k( 125) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0037313 k( 126) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0037313 k( 127) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0037313 k( 128) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0037313 k( 129) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0037313 k( 130) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0037313 k( 131) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0037313 k( 132) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0037313 k( 133) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0037313 k( 134) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0037313 k( 135) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0037313 k( 136) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0037313 k( 137) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0037313 k( 138) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 140) = ( 0.4906911 0.5093089 -0.4906911), wk = 0.0037313 k( 141) = ( 0.4813821 0.5186179 -0.4813821), wk = 0.0037313 k( 142) = ( 0.4720731 0.5279268 -0.4720731), wk = 0.0037313 k( 143) = ( 0.4627642 0.5372358 -0.4627642), wk = 0.0037313 k( 144) = ( 0.4534552 0.5465448 -0.4534552), wk = 0.0037313 k( 145) = ( 0.4441463 0.5558537 -0.4441463), wk = 0.0037313 k( 146) = ( 0.4348374 0.5651626 -0.4348374), wk = 0.0037313 k( 147) = ( 0.4255284 0.5744716 -0.4255284), wk = 0.0037313 k( 148) = ( 0.4162194 0.5837805 -0.4162195), wk = 0.0037313 k( 149) = ( 0.4069105 0.5930895 -0.4069105), wk = 0.0037313 k( 150) = ( 0.3976016 0.6023984 -0.3976015), wk = 0.0037313 k( 151) = ( 0.3882926 0.6117074 -0.3882926), wk = 0.0037313 k( 152) = ( 0.3789837 0.6210163 -0.3789837), wk = 0.0037313 k( 153) = ( 0.3696747 0.6303253 -0.3696747), wk = 0.0037313 k( 154) = ( 0.3603658 0.6396342 -0.3603658), wk = 0.0037313 k( 155) = ( 0.3510568 0.6489432 -0.3510568), wk = 0.0037313 k( 156) = ( 0.3417479 0.6582521 -0.3417479), wk = 0.0037313 k( 157) = ( 0.3324389 0.6675611 -0.3324389), wk = 0.0037313 k( 158) = ( 0.3231300 0.6768700 -0.3231300), wk = 0.0037313 k( 159) = ( 0.3231300 0.6768700 -0.3231300), wk = 0.0037313 k( 160) = ( 0.3041223 0.6664659 -0.3041223), wk = 0.0037313 k( 161) = ( 0.2851147 0.6560618 -0.2851147), wk = 0.0037313 k( 162) = ( 0.2661070 0.6456577 -0.2661070), wk = 0.0037313 k( 163) = ( 0.2470994 0.6352536 -0.2470994), wk = 0.0037313 k( 164) = ( 0.2280917 0.6248494 -0.2280917), wk = 0.0037313 k( 165) = ( 0.2090841 0.6144453 -0.2090841), wk = 0.0037313 k( 166) = ( 0.1900765 0.6040412 -0.1900765), wk = 0.0037313 k( 167) = ( 0.1710688 0.5936371 -0.1710688), wk = 0.0037313 k( 168) = ( 0.1520612 0.5832330 -0.1520612), wk = 0.0037313 k( 169) = ( 0.1330535 0.5728288 -0.1330535), wk = 0.0037313 k( 170) = ( 0.1140459 0.5624247 -0.1140459), wk = 0.0037313 k( 171) = ( 0.0950382 0.5520206 -0.0950382), wk = 0.0037313 k( 172) = ( 0.0760306 0.5416165 -0.0760306), wk = 0.0037313 k( 173) = ( 0.0570229 0.5312124 -0.0570229), wk = 0.0037313 k( 174) = ( 0.0380153 0.5208082 -0.0380153), wk = 0.0037313 k( 175) = ( 0.0190076 0.5104041 -0.0190076), wk = 0.0037313 k( 176) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037313 k( 177) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037313 k( 178) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0037313 k( 179) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0037313 k( 180) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0037313 k( 181) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0037313 k( 182) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0037313 k( 183) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0037313 k( 184) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0037313 k( 185) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0037313 k( 186) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0037313 k( 187) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0037313 k( 188) = ( 0.1018518 0.3981481 0.1018519), wk = 0.0037313 k( 189) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0037313 k( 190) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0037313 k( 191) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0037313 k( 192) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0037313 k( 193) = ( 0.1481482 0.3518518 0.1481481), wk = 0.0037313 k( 194) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0037313 k( 195) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0037313 k( 196) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0037313 k( 197) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0037313 k( 198) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0037313 k( 199) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0037313 k( 200) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0037313 k( 201) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0037313 k( 202) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0037313 k( 203) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0037313 k( 204) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 k( 205) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 k( 206) = ( 0.2631579 0.2631579 0.2291442), wk = 0.0037313 k( 207) = ( 0.2763158 0.2763158 0.2082884), wk = 0.0037313 k( 208) = ( 0.2894737 0.2894737 0.1874326), wk = 0.0037313 k( 209) = ( 0.3026316 0.3026316 0.1665769), wk = 0.0037313 k( 210) = ( 0.3157895 0.3157895 0.1457211), wk = 0.0037313 k( 211) = ( 0.3289474 0.3289474 0.1248653), wk = 0.0037313 k( 212) = ( 0.3421053 0.3421053 0.1040095), wk = 0.0037313 k( 213) = ( 0.3552632 0.3552632 0.0831537), wk = 0.0037313 k( 214) = ( 0.3684211 0.3684211 0.0622979), wk = 0.0037313 k( 215) = ( 0.3815789 0.3815789 0.0414422), wk = 0.0037313 k( 216) = ( 0.3947368 0.3947368 0.0205864), wk = 0.0037313 k( 217) = ( 0.4078947 0.4078947 -0.0002694), wk = 0.0037313 k( 218) = ( 0.4210526 0.4210526 -0.0211252), wk = 0.0037313 k( 219) = ( 0.4342105 0.4342105 -0.0419810), wk = 0.0037313 k( 220) = ( 0.4473684 0.4473684 -0.0628368), wk = 0.0037313 k( 221) = ( 0.4605263 0.4605263 -0.0836926), wk = 0.0037313 k( 222) = ( 0.4736842 0.4736842 -0.1045484), wk = 0.0037313 k( 223) = ( 0.4868421 0.4868421 -0.1254041), wk = 0.0037313 k( 224) = ( 0.5000000 0.5000000 -0.1462599), wk = 0.0037313 k( 225) = ( 0.5000000 0.5000000 -0.1462599), wk = 0.0037313 k( 226) = ( 0.5000000 0.5000000 -0.1593614), wk = 0.0037313 k( 227) = ( 0.5000000 0.5000000 -0.1724629), wk = 0.0037313 k( 228) = ( 0.5000000 0.5000000 -0.1855644), wk = 0.0037313 k( 229) = ( 0.5000000 0.5000000 -0.1986659), wk = 0.0037313 k( 230) = ( 0.5000000 0.5000000 -0.2117673), wk = 0.0037313 k( 231) = ( 0.5000000 0.5000000 -0.2248688), wk = 0.0037313 k( 232) = ( 0.5000000 0.5000000 -0.2379703), wk = 0.0037313 k( 233) = ( 0.5000000 0.5000000 -0.2510718), wk = 0.0037313 k( 234) = ( 0.5000000 0.5000000 -0.2641733), wk = 0.0037313 k( 235) = ( 0.5000000 0.5000000 -0.2772748), wk = 0.0037313 k( 236) = ( 0.5000000 0.5000000 -0.2903763), wk = 0.0037313 k( 237) = ( 0.5000000 0.5000000 -0.3034777), wk = 0.0037313 k( 238) = ( 0.5000000 0.5000000 -0.3165792), wk = 0.0037313 k( 239) = ( 0.5000000 0.5000000 -0.3296807), wk = 0.0037313 k( 240) = ( 0.5000000 0.5000000 -0.3427822), wk = 0.0037313 k( 241) = ( 0.5000000 0.5000000 -0.3558837), wk = 0.0037313 k( 242) = ( 0.5000000 0.5000000 -0.3689851), wk = 0.0037313 k( 243) = ( 0.5000000 0.5000000 -0.3820866), wk = 0.0037313 k( 244) = ( 0.5000000 0.5000000 -0.3951881), wk = 0.0037313 k( 245) = ( 0.5000000 0.5000000 -0.4082896), wk = 0.0037313 k( 246) = ( 0.5000000 0.5000000 -0.4213911), wk = 0.0037313 k( 247) = ( 0.5000000 0.5000000 -0.4344926), wk = 0.0037313 k( 248) = ( 0.5000000 0.5000000 -0.4475941), wk = 0.0037313 k( 249) = ( 0.5000000 0.5000000 -0.4606956), wk = 0.0037313 k( 250) = ( 0.5000000 0.5000000 -0.4737970), wk = 0.0037313 k( 251) = ( 0.5000000 0.5000000 -0.4868985), wk = 0.0037313 k( 252) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 254) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0037313 k( 255) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0037313 k( 256) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0037313 k( 257) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0037313 k( 258) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0037313 k( 259) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0037313 k( 260) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0037313 k( 261) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0037313 k( 262) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0037313 k( 263) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0037313 k( 264) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0037313 k( 265) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0037313 k( 266) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0037313 k( 267) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0037313 k( 268) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 Dense grid: 346663 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 50175 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 270, 62) NL pseudopotentials 0.40 Mb ( 135, 192) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.06 Mb ( 7223) G-vector shells 0.03 Mb ( 3403) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 270, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.36 Mb ( 192, 2, 62) The potential is recalculated from file : ./CdSiAs2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.7 secs Computing kpt #: 2 total cpu time spent up to now is 51.4 secs Computing kpt #: 3 total cpu time spent up to now is 56.3 secs Computing kpt #: 4 total cpu time spent up to now is 61.1 secs Computing kpt #: 5 total cpu time spent up to now is 65.8 secs Computing kpt #: 6 total cpu time spent up to now is 70.4 secs Computing kpt #: 7 total cpu time spent up to now is 75.0 secs Computing kpt #: 8 total cpu time spent up to now is 79.8 secs Computing kpt #: 9 total cpu time spent up to now is 84.4 secs Computing kpt #: 10 total cpu time spent up to now is 89.1 secs Computing kpt #: 11 total cpu time spent up to now is 93.8 secs Computing kpt #: 12 total cpu time spent up to now is 98.5 secs Computing kpt #: 13 total cpu time spent up to now is 103.3 secs Computing kpt #: 14 total cpu time spent up to now is 108.2 secs Computing kpt #: 15 total cpu time spent up to now is 113.2 secs Computing kpt #: 16 total cpu time spent up to now is 118.4 secs Computing kpt #: 17 total cpu time spent up to now is 124.1 secs Computing kpt #: 18 total cpu time spent up to now is 130.7 secs Computing kpt #: 19 total cpu time spent up to now is 137.1 secs Computing kpt #: 20 total cpu time spent up to now is 143.1 secs Computing kpt #: 21 total cpu time spent up to now is 149.8 secs Computing kpt #: 22 total cpu time spent up to now is 155.6 secs Computing kpt #: 23 total cpu time spent up to now is 161.6 secs Computing kpt #: 24 total cpu time spent up to now is 167.3 secs Computing kpt #: 25 total cpu time spent up to now is 173.0 secs Computing kpt #: 26 total cpu time spent up to now is 178.9 secs Computing kpt #: 27 total cpu time spent up to now is 184.8 secs Computing kpt #: 28 total cpu time spent up to now is 190.8 secs Computing kpt #: 29 total cpu time spent up to now is 196.8 secs Computing kpt #: 30 total cpu time spent up to now is 203.6 secs Computing kpt #: 31 total cpu time spent up to now is 210.4 secs Computing kpt #: 32 total cpu time spent up to now is 217.5 secs Computing kpt #: 33 total cpu time spent up to now is 224.1 secs Computing kpt #: 34 total cpu time spent up to now is 231.2 secs Computing kpt #: 35 total cpu time spent up to now is 238.1 secs Computing kpt #: 36 total cpu time spent up to now is 244.5 secs Computing kpt #: 37 total cpu time spent up to now is 250.9 secs Computing kpt #: 38 total cpu time spent up to now is 257.5 secs Computing kpt #: 39 total cpu time spent up to now is 263.7 secs Computing kpt #: 40 total cpu time spent up to now is 270.0 secs Computing kpt #: 41 total cpu time spent up to now is 276.2 secs Computing kpt #: 42 total cpu time spent up to now is 282.4 secs Computing kpt #: 43 total cpu time spent up to now is 288.1 secs Computing kpt #: 44 total cpu time spent up to now is 293.8 secs Computing kpt #: 45 total cpu time spent up to now is 299.5 secs Computing kpt #: 46 total cpu time spent up to now is 305.6 secs Computing kpt #: 47 total cpu time spent up to now is 311.5 secs Computing kpt #: 48 total cpu time spent up to now is 317.1 secs Computing kpt #: 49 total cpu time spent up to now is 323.0 secs Computing kpt #: 50 total cpu time spent up to now is 328.8 secs Computing kpt #: 51 total cpu time spent up to now is 334.5 secs Computing kpt #: 52 total cpu time spent up to now is 340.1 secs Computing kpt #: 53 total cpu time spent up to now is 345.9 secs Computing kpt #: 54 total cpu time spent up to now is 351.6 secs Computing kpt #: 55 total cpu time spent up to now is 357.1 secs Computing kpt #: 56 total cpu time spent up to now is 362.2 secs Computing kpt #: 57 total cpu time spent up to now is 367.5 secs Computing kpt #: 58 total cpu time spent up to now is 372.6 secs Computing kpt #: 59 total cpu time spent up to now is 378.0 secs Computing kpt #: 60 total cpu time spent up to now is 383.2 secs Computing kpt #: 61 total cpu time spent up to now is 388.6 secs Computing kpt #: 62 total cpu time spent up to now is 394.6 secs Computing kpt #: 63 total cpu time spent up to now is 400.6 secs Computing kpt #: 64 total cpu time spent up to now is 406.5 secs Computing kpt #: 65 total cpu time spent up to now is 412.6 secs Computing kpt #: 66 total cpu time spent up to now is 418.4 secs Computing kpt #: 67 total cpu time spent up to now is 425.0 secs Computing kpt #: 68 total cpu time spent up to now is 431.1 secs Computing kpt #: 69 total cpu time spent up to now is 437.2 secs Computing kpt #: 70 total cpu time spent up to now is 443.2 secs Computing kpt #: 71 total cpu time spent up to now is 450.3 secs Computing kpt #: 72 total cpu time spent up to now is 455.9 secs Computing kpt #: 73 total cpu time spent up to now is 461.5 secs Computing kpt #: 74 total cpu time spent up to now is 467.3 secs Computing kpt #: 75 total cpu time spent up to now is 473.2 secs Computing kpt #: 76 total cpu time spent up to now is 479.7 secs Computing kpt #: 77 total cpu time spent up to now is 486.5 secs Computing kpt #: 78 total cpu time spent up to now is 494.9 secs Computing kpt #: 79 total cpu time spent up to now is 502.6 secs Computing kpt #: 80 total cpu time spent up to now is 509.0 secs Computing kpt #: 81 total cpu time spent up to now is 515.2 secs Computing kpt #: 82 total cpu time spent up to now is 521.1 secs Computing kpt #: 83 total cpu time spent up to now is 526.9 secs Computing kpt #: 84 total cpu time spent up to now is 532.5 secs Computing kpt #: 85 total cpu time spent up to now is 537.7 secs Computing kpt #: 86 total cpu time spent up to now is 543.0 secs Computing kpt #: 87 total cpu time spent up to now is 548.2 secs Computing kpt #: 88 total cpu time spent up to now is 554.6 secs Computing kpt #: 89 total cpu time spent up to now is 561.1 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 569.9 secs Computing kpt #: 91 total cpu time spent up to now is 575.6 secs Computing kpt #: 92 total cpu time spent up to now is 581.3 secs Computing kpt #: 93 total cpu time spent up to now is 586.7 secs Computing kpt #: 94 total cpu time spent up to now is 591.9 secs Computing kpt #: 95 total cpu time spent up to now is 597.3 secs Computing kpt #: 96 total cpu time spent up to now is 602.7 secs Computing kpt #: 97 total cpu time spent up to now is 608.3 secs Computing kpt #: 98 total cpu time spent up to now is 613.7 secs Computing kpt #: 99 total cpu time spent up to now is 618.3 secs Computing kpt #: 100 total cpu time spent up to now is 623.4 secs Computing kpt #: 101 total cpu time spent up to now is 628.3 secs Computing kpt #: 102 total cpu time spent up to now is 633.1 secs Computing kpt #: 103 total cpu time spent up to now is 638.2 secs Computing kpt #: 104 total cpu time spent up to now is 643.1 secs Computing kpt #: 105 total cpu time spent up to now is 648.1 secs Computing kpt #: 106 total cpu time spent up to now is 652.9 secs Computing kpt #: 107 total cpu time spent up to now is 657.7 secs Computing kpt #: 108 total cpu time spent up to now is 662.6 secs Computing kpt #: 109 total cpu time spent up to now is 667.7 secs Computing kpt #: 110 total cpu time spent up to now is 672.5 secs Computing kpt #: 111 total cpu time spent up to now is 678.3 secs Computing kpt #: 112 total cpu time spent up to now is 683.8 secs Computing kpt #: 113 total cpu time spent up to now is 689.3 secs Computing kpt #: 114 total cpu time spent up to now is 695.0 secs Computing kpt #: 115 total cpu time spent up to now is 700.7 secs Computing kpt #: 116 total cpu time spent up to now is 708.6 secs Computing kpt #: 117 total cpu time spent up to now is 714.6 secs Computing kpt #: 118 total cpu time spent up to now is 720.7 secs Computing kpt #: 119 total cpu time spent up to now is 726.4 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 735.4 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 744.8 secs Computing kpt #: 122 total cpu time spent up to now is 753.0 secs Computing kpt #: 123 total cpu time spent up to now is 758.7 secs Computing kpt #: 124 total cpu time spent up to now is 764.7 secs Computing kpt #: 125 total cpu time spent up to now is 769.9 secs Computing kpt #: 126 total cpu time spent up to now is 775.1 secs Computing kpt #: 127 total cpu time spent up to now is 780.4 secs Computing kpt #: 128 total cpu time spent up to now is 785.6 secs Computing kpt #: 129 total cpu time spent up to now is 790.7 secs Computing kpt #: 130 total cpu time spent up to now is 796.0 secs Computing kpt #: 131 total cpu time spent up to now is 801.1 secs Computing kpt #: 132 total cpu time spent up to now is 806.1 secs Computing kpt #: 133 total cpu time spent up to now is 811.4 secs Computing kpt #: 134 total cpu time spent up to now is 816.7 secs Computing kpt #: 135 total cpu time spent up to now is 822.0 secs Computing kpt #: 136 total cpu time spent up to now is 827.6 secs Computing kpt #: 137 total cpu time spent up to now is 832.8 secs Computing kpt #: 138 total cpu time spent up to now is 838.0 secs Computing kpt #: 139 total cpu time spent up to now is 843.1 secs Computing kpt #: 140 total cpu time spent up to now is 848.5 secs Computing kpt #: 141 total cpu time spent up to now is 854.6 secs Computing kpt #: 142 total cpu time spent up to now is 860.1 secs Computing kpt #: 143 total cpu time spent up to now is 865.7 secs Computing kpt #: 144 total cpu time spent up to now is 871.7 secs Computing kpt #: 145 total cpu time spent up to now is 877.6 secs Computing kpt #: 146 total cpu time spent up to now is 883.6 secs Computing kpt #: 147 total cpu time spent up to now is 889.3 secs Computing kpt #: 148 total cpu time spent up to now is 895.1 secs Computing kpt #: 149 total cpu time spent up to now is 900.8 secs Computing kpt #: 150 total cpu time spent up to now is 906.5 secs Computing kpt #: 151 total cpu time spent up to now is 912.4 secs Computing kpt #: 152 total cpu time spent up to now is 918.2 secs Computing kpt #: 153 total cpu time spent up to now is 924.4 secs Computing kpt #: 154 total cpu time spent up to now is 930.2 secs Computing kpt #: 155 total cpu time spent up to now is 935.9 secs Computing kpt #: 156 total cpu time spent up to now is 942.0 secs Computing kpt #: 157 total cpu time spent up to now is 947.9 secs Computing kpt #: 158 total cpu time spent up to now is 953.7 secs Computing kpt #: 159 total cpu time spent up to now is 959.4 secs Computing kpt #: 160 total cpu time spent up to now is 965.2 secs Computing kpt #: 161 total cpu time spent up to now is 971.1 secs Computing kpt #: 162 total cpu time spent up to now is 977.1 secs Computing kpt #: 163 total cpu time spent up to now is 982.8 secs Computing kpt #: 164 total cpu time spent up to now is 988.3 secs Computing kpt #: 165 total cpu time spent up to now is 994.3 secs Computing kpt #: 166 total cpu time spent up to now is 1000.0 secs Computing kpt #: 167 total cpu time spent up to now is 1006.0 secs Computing kpt #: 168 total cpu time spent up to now is 1012.5 secs Computing kpt #: 169 total cpu time spent up to now is 1019.2 secs Computing kpt #: 170 total cpu time spent up to now is 1025.3 secs Computing kpt #: 171 total cpu time spent up to now is 1031.5 secs Computing kpt #: 172 total cpu time spent up to now is 1037.2 secs Computing kpt #: 173 total cpu time spent up to now is 1043.1 secs Computing kpt #: 174 total cpu time spent up to now is 1051.8 secs Computing kpt #: 175 total cpu time spent up to now is 1057.9 secs Computing kpt #: 176 total cpu time spent up to now is 1063.9 secs Computing kpt #: 177 total cpu time spent up to now is 1070.4 secs Computing kpt #: 178 total cpu time spent up to now is 1077.1 secs Computing kpt #: 179 total cpu time spent up to now is 1083.2 secs Computing kpt #: 180 total cpu time spent up to now is 1089.1 secs Computing kpt #: 181 total cpu time spent up to now is 1095.0 secs Computing kpt #: 182 total cpu time spent up to now is 1101.6 secs Computing kpt #: 183 total cpu time spent up to now is 1107.7 secs Computing kpt #: 184 total cpu time spent up to now is 1113.9 secs Computing kpt #: 185 total cpu time spent up to now is 1120.0 secs Computing kpt #: 186 total cpu time spent up to now is 1126.0 secs Computing kpt #: 187 total cpu time spent up to now is 1131.7 secs Computing kpt #: 188 total cpu time spent up to now is 1137.0 secs Computing kpt #: 189 total cpu time spent up to now is 1142.4 secs Computing kpt #: 190 total cpu time spent up to now is 1147.8 secs Computing kpt #: 191 total cpu time spent up to now is 1153.3 secs Computing kpt #: 192 total cpu time spent up to now is 1158.8 secs Computing kpt #: 193 total cpu time spent up to now is 1164.2 secs Computing kpt #: 194 total cpu time spent up to now is 1169.5 secs Computing kpt #: 195 total cpu time spent up to now is 1175.1 secs Computing kpt #: 196 total cpu time spent up to now is 1180.8 secs Computing kpt #: 197 total cpu time spent up to now is 1186.4 secs Computing kpt #: 198 total cpu time spent up to now is 1192.0 secs Computing kpt #: 199 total cpu time spent up to now is 1197.5 secs Computing kpt #: 200 total cpu time spent up to now is 1203.3 secs Computing kpt #: 201 total cpu time spent up to now is 1209.0 secs Computing kpt #: 202 total cpu time spent up to now is 1214.7 secs Computing kpt #: 203 total cpu time spent up to now is 1220.5 secs Computing kpt #: 204 total cpu time spent up to now is 1226.4 secs Computing kpt #: 205 total cpu time spent up to now is 1232.5 secs Computing kpt #: 206 total cpu time spent up to now is 1238.9 secs Computing kpt #: 207 total cpu time spent up to now is 1244.9 secs Computing kpt #: 208 total cpu time spent up to now is 1250.6 secs Computing kpt #: 209 total cpu time spent up to now is 1256.1 secs Computing kpt #: 210 total cpu time spent up to now is 1261.9 secs Computing kpt #: 211 total cpu time spent up to now is 1267.3 secs Computing kpt #: 212 total cpu time spent up to now is 1273.1 secs Computing kpt #: 213 total cpu time spent up to now is 1278.6 secs Computing kpt #: 214 total cpu time spent up to now is 1284.1 secs Computing kpt #: 215 total cpu time spent up to now is 1289.8 secs Computing kpt #: 216 total cpu time spent up to now is 1295.4 secs Computing kpt #: 217 total cpu time spent up to now is 1301.2 secs Computing kpt #: 218 total cpu time spent up to now is 1306.8 secs Computing kpt #: 219 total cpu time spent up to now is 1312.3 secs Computing kpt #: 220 total cpu time spent up to now is 1318.5 secs Computing kpt #: 221 total cpu time spent up to now is 1324.6 secs Computing kpt #: 222 total cpu time spent up to now is 1330.3 secs Computing kpt #: 223 total cpu time spent up to now is 1336.2 secs Computing kpt #: 224 total cpu time spent up to now is 1341.8 secs Computing kpt #: 225 total cpu time spent up to now is 1348.6 secs Computing kpt #: 226 total cpu time spent up to now is 1354.3 secs Computing kpt #: 227 total cpu time spent up to now is 1360.1 secs Computing kpt #: 228 total cpu time spent up to now is 1366.0 secs Computing kpt #: 229 total cpu time spent up to now is 1371.7 secs Computing kpt #: 230 total cpu time spent up to now is 1377.6 secs Computing kpt #: 231 total cpu time spent up to now is 1383.2 secs Computing kpt #: 232 total cpu time spent up to now is 1389.0 secs Computing kpt #: 233 total cpu time spent up to now is 1394.8 secs Computing kpt #: 234 total cpu time spent up to now is 1400.7 secs Computing kpt #: 235 total cpu time spent up to now is 1406.5 secs Computing kpt #: 236 total cpu time spent up to now is 1413.0 secs Computing kpt #: 237 total cpu time spent up to now is 1418.8 secs Computing kpt #: 238 total cpu time spent up to now is 1424.7 secs Computing kpt #: 239 total cpu time spent up to now is 1430.6 secs Computing kpt #: 240 total cpu time spent up to now is 1436.5 secs Computing kpt #: 241 total cpu time spent up to now is 1442.4 secs Computing kpt #: 242 total cpu time spent up to now is 1448.3 secs Computing kpt #: 243 total cpu time spent up to now is 1454.0 secs Computing kpt #: 244 total cpu time spent up to now is 1459.6 secs Computing kpt #: 245 total cpu time spent up to now is 1465.3 secs Computing kpt #: 246 total cpu time spent up to now is 1470.9 secs Computing kpt #: 247 total cpu time spent up to now is 1476.7 secs Computing kpt #: 248 total cpu time spent up to now is 1483.0 secs Computing kpt #: 249 total cpu time spent up to now is 1488.6 secs Computing kpt #: 250 total cpu time spent up to now is 1494.1 secs Computing kpt #: 251 total cpu time spent up to now is 1500.1 secs Computing kpt #: 252 total cpu time spent up to now is 1505.1 secs Computing kpt #: 253 total cpu time spent up to now is 1513.5 secs Computing kpt #: 254 total cpu time spent up to now is 1519.9 secs Computing kpt #: 255 total cpu time spent up to now is 1526.4 secs Computing kpt #: 256 total cpu time spent up to now is 1532.7 secs Computing kpt #: 257 total cpu time spent up to now is 1539.3 secs Computing kpt #: 258 total cpu time spent up to now is 1545.6 secs Computing kpt #: 259 total cpu time spent up to now is 1553.0 secs Computing kpt #: 260 total cpu time spent up to now is 1560.3 secs Computing kpt #: 261 total cpu time spent up to now is 1566.7 secs Computing kpt #: 262 total cpu time spent up to now is 1573.1 secs Computing kpt #: 263 total cpu time spent up to now is 1579.8 secs Computing kpt #: 264 total cpu time spent up to now is 1585.7 secs Computing kpt #: 265 total cpu time spent up to now is 1591.9 secs Computing kpt #: 266 total cpu time spent up to now is 1598.5 secs Computing kpt #: 267 total cpu time spent up to now is 1605.1 secs Computing kpt #: 268 total cpu time spent up to now is 1611.5 secs ethr = 1.92E-11, avg # of iterations = 48.9 total cpu time spent up to now is 1611.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6297 PWs) bands (ev): -6.5244 -6.5244 -4.3069 -4.3069 -4.2908 -4.2908 -4.2759 -4.2759 -2.4183 -2.4183 -2.1696 -2.1696 -2.1391 -2.1391 -1.9984 -1.9984 -1.9080 -1.9080 -1.5463 -1.5463 -1.4988 -1.4988 -1.4234 -1.4234 -1.3069 -1.3069 -1.2911 -1.2911 -1.2468 -1.2468 0.5905 0.5905 2.1079 2.1079 2.1319 2.1319 2.4872 2.4872 2.6449 2.6449 3.3761 3.3761 4.5020 4.5020 4.5080 4.5080 6.0164 6.0164 6.2694 6.2694 6.4587 6.4587 7.2504 7.2504 7.6476 7.6476 8.2187 8.2187 9.4212 9.4212 9.4930 9.4930 k = 0.0000 0.0000 0.0217 ( 6297 PWs) bands (ev): -6.5236 -6.5236 -4.3082 -4.3060 -4.2922 -4.2919 -4.2775 -4.2764 -2.4223 -2.4119 -2.1723 -2.1672 -2.1394 -2.1391 -2.0009 -1.9961 -1.9196 -1.8952 -1.5488 -1.5438 -1.4995 -1.4985 -1.4248 -1.4225 -1.3145 -1.3025 -1.2915 -1.2884 -1.2461 -1.2459 0.5880 0.5922 2.1038 2.1120 2.1295 2.1356 2.4864 2.4936 2.6428 2.6500 3.3734 3.3765 4.4989 4.5024 4.5070 4.5111 6.0006 6.0124 6.2551 6.2581 6.4474 6.4595 7.2711 7.2729 7.6508 7.6552 8.2233 8.2273 9.4198 9.4233 9.4910 9.4948 k = 0.0000 0.0000 0.0433 ( 6287 PWs) bands (ev): -6.5210 -6.5210 -4.3103 -4.3055 -4.2963 -4.2955 -4.2804 -4.2792 -2.4237 -2.4029 -2.1750 -2.1649 -2.1400 -2.1393 -2.0036 -1.9941 -1.9300 -1.8813 -1.5513 -1.5413 -1.5004 -1.4985 -1.4266 -1.4220 -1.3226 -1.3038 -1.2881 -1.2851 -1.2442 -1.2427 0.5849 0.5931 2.1007 2.1143 2.1276 2.1421 2.4914 2.5054 2.6435 2.6577 3.3683 3.3745 4.4932 4.4952 4.5131 4.5162 5.9617 5.9863 6.2197 6.2301 6.4291 6.4490 7.3298 7.3330 7.6643 7.6728 8.2414 8.2492 9.4193 9.4258 9.4890 9.4964 k = 0.0000 0.0000 0.0650 ( 6279 PWs) bands (ev): -6.5167 -6.5167 -4.3141 -4.3061 -4.3042 -4.3005 -4.2836 -4.2834 -2.4227 -2.3915 -2.1778 -2.1628 -2.1408 -2.1397 -2.0064 -1.9926 -1.9390 -1.8664 -1.5538 -1.5388 -1.5017 -1.4986 -1.4289 -1.4220 -1.3304 -1.3077 -1.2851 -1.2816 -1.2421 -1.2360 0.5809 0.5929 2.0988 2.1139 2.1270 2.1523 2.5020 2.5220 2.6470 2.6678 3.3607 3.3698 4.4842 4.4852 4.5229 4.5250 5.8953 5.9309 6.1796 6.1994 6.4058 6.4294 7.4150 7.4195 7.6866 7.6985 8.2738 8.2849 9.4202 9.4288 9.4871 9.4978 k = 0.0000 0.0000 0.0866 ( 6287 PWs) bands (ev): -6.5107 -6.5107 -4.3220 -4.3178 -4.3055 -4.3054 -4.2885 -4.2869 -2.4194 -2.3777 -2.1808 -2.1613 -2.1420 -2.1400 -2.0094 -1.9917 -1.9465 -1.8508 -1.5565 -1.5364 -1.5034 -1.4990 -1.4317 -1.4222 -1.3375 -1.3126 -1.2836 -1.2778 -1.2400 -1.2265 0.5761 0.5914 2.0971 2.1116 2.1296 2.1662 2.5178 2.5428 2.6527 2.6796 3.3506 3.3623 4.4734 4.4740 4.5360 4.5373 5.8030 5.8449 6.1470 6.1736 6.3777 6.4023 7.5159 7.5218 7.7154 7.7300 8.3215 8.3352 9.4226 9.4322 9.4857 9.4993 k = 0.0000 0.0000 0.1083 ( 6289 PWs) bands (ev): -6.5031 -6.5030 -4.3353 -4.3344 -4.3091 -4.3064 -4.2939 -4.2904 -2.4140 -2.3617 -2.1838 -2.1603 -2.1433 -2.1400 -2.0125 -1.9918 -1.9522 -1.8345 -1.5591 -1.5339 -1.5055 -1.4996 -1.4348 -1.4228 -1.3437 -1.3180 -1.2831 -1.2736 -1.2381 -1.2149 0.5700 0.5884 2.0943 2.1079 2.1375 2.1839 2.5383 2.5674 2.6600 2.6920 3.3382 3.3521 4.4629 4.4637 4.5520 4.5524 5.6919 5.7367 6.1214 6.1525 6.3449 6.3688 7.6245 7.6324 7.7484 7.7645 8.3850 8.4006 9.4271 9.4363 9.4851 9.5010 k = 0.0000 0.0000 0.1299 ( 6289 PWs) bands (ev): -6.4937 -6.4937 -4.3544 -4.3532 -4.3122 -4.3081 -4.2995 -4.2940 -2.4066 -2.3439 -2.1869 -2.1600 -2.1448 -2.1393 -2.0156 -1.9929 -1.9558 -1.8176 -1.5618 -1.5314 -1.5080 -1.5002 -1.4383 -1.4236 -1.3490 -1.3238 -1.2832 -1.2690 -1.2365 -1.2023 0.5627 0.5833 2.0902 2.1034 2.1521 2.2057 2.5625 2.5953 2.6680 2.7037 3.3243 3.3397 4.4546 4.4562 4.5697 4.5703 5.5696 5.6162 6.0976 6.1335 6.3086 6.3301 7.7354 7.7460 7.7836 7.8001 8.4641 8.4806 9.4339 9.4414 9.4857 9.5036 k = 0.0000 0.0000 0.1516 ( 6291 PWs) bands (ev): -6.4827 -6.4827 -4.3774 -4.3749 -4.3158 -4.3110 -4.3049 -4.2973 -2.3974 -2.3245 -2.1901 -2.1605 -2.1464 -2.1378 -2.0188 -1.9953 -1.9574 -1.8004 -1.5646 -1.5290 -1.5108 -1.5010 -1.4419 -1.4247 -1.3537 -1.3298 -1.2835 -1.2637 -1.2352 -1.1891 0.5537 0.5761 2.0853 2.0987 2.1734 2.2320 2.5888 2.6258 2.6760 2.7127 3.3104 3.3264 4.4502 4.4531 4.5877 4.5897 5.4421 5.4905 6.0716 6.1134 6.2704 6.2877 7.8194 7.8347 7.8460 7.8590 8.5573 8.5739 9.4435 9.4481 9.4883 9.5076 k = 0.0000 0.0000 0.1733 ( 6307 PWs) bands (ev): -6.4701 -6.4700 -4.4032 -4.3997 -4.3206 -4.3156 -4.3095 -4.3001 -2.3866 -2.3039 -2.1933 -2.1618 -2.1481 -2.1355 -2.0220 -1.9985 -1.9572 -1.7831 -1.5673 -1.5267 -1.5139 -1.5018 -1.4456 -1.4261 -1.3577 -1.3359 -1.2839 -1.2576 -1.2344 -1.1758 0.5430 0.5665 2.0804 2.0943 2.2016 2.2630 2.6138 2.6585 2.6848 2.7166 3.2992 3.3147 4.4510 4.4556 4.6044 4.6081 5.3145 5.3653 6.0399 6.0894 6.2329 6.2441 7.8554 7.8699 7.9514 7.9688 8.6614 8.6776 9.4566 9.4577 9.4937 9.5138 k = 0.0000 0.0000 0.1949 ( 6295 PWs) bands (ev): -6.4558 -6.4558 -4.4314 -4.4273 -4.3270 -4.3216 -4.3132 -4.3023 -2.3744 -2.2829 -2.1963 -2.1634 -2.1497 -2.1320 -2.0250 -2.0022 -1.9553 -1.7657 -1.5699 -1.5247 -1.5166 -1.5025 -1.4491 -1.4276 -1.3612 -1.3418 -1.2843 -1.2506 -1.2339 -1.1625 0.5303 0.5543 2.0759 2.0904 2.2365 2.2990 2.6288 2.6909 2.6998 2.7143 3.2940 3.3074 4.4577 4.4642 4.6156 4.6215 5.1929 5.2467 6.0000 6.0577 6.1984 6.2030 7.8912 7.9040 8.0517 8.0735 8.7720 8.7871 9.4715 9.4745 9.5031 9.5237 k = 0.0000 0.0000 0.2166 ( 6299 PWs) bands (ev): -6.4400 -6.4400 -4.4618 -4.4574 -4.3345 -4.3286 -4.3163 -4.3044 -2.3610 -2.2622 -2.1992 -2.1652 -2.1513 -2.1274 -2.0282 -2.0062 -1.9521 -1.7486 -1.5725 -1.5248 -1.5176 -1.5033 -1.4525 -1.4293 -1.3643 -1.3475 -1.2847 -1.2426 -1.2339 -1.1495 0.5156 0.5395 2.0722 2.0875 2.2779 2.3400 2.6249 2.6917 2.7274 2.7343 3.2982 3.3079 4.4704 4.4788 4.6142 4.6218 5.0866 5.1430 5.9509 6.0149 6.1680 6.1683 7.9271 7.9378 8.1448 8.1715 8.8822 8.8956 9.4911 9.5006 9.5175 9.5408 k = 0.0000 0.0000 0.2382 ( 6299 PWs) bands (ev): -6.4226 -6.4226 -4.4942 -4.4896 -4.3428 -4.3365 -4.3191 -4.3066 -2.3467 -2.2429 -2.2021 -2.1669 -2.1528 -2.1215 -2.0311 -2.0100 -1.9473 -1.7319 -1.5748 -1.5276 -1.5159 -1.5040 -1.4557 -1.4313 -1.3672 -1.3528 -1.2851 -1.2350 -1.2329 -1.1368 0.4989 0.5221 2.0698 2.0859 2.3252 2.3856 2.6035 2.6642 2.7641 2.7718 3.3143 3.3188 4.4887 4.4982 4.5893 4.5959 5.0104 5.0663 5.8933 5.9608 6.1399 6.1424 7.9632 7.9719 8.2299 8.2616 8.9827 8.9938 9.5141 9.5314 9.5466 9.5747 k = 0.0000 0.0000 0.2599 ( 6307 PWs) bands (ev): -6.4038 -6.4038 -4.5283 -4.5236 -4.3515 -4.3450 -4.3220 -4.3089 -2.3316 -2.2263 -2.2047 -2.1681 -2.1542 -2.1142 -2.0339 -2.0137 -1.9406 -1.7158 -1.5771 -1.5314 -1.5133 -1.5047 -1.4587 -1.4334 -1.3699 -1.3578 -1.2855 -1.2358 -1.2227 -1.1247 0.4801 0.5023 2.0689 2.0858 2.3778 2.4353 2.5684 2.6239 2.8061 2.8118 3.3416 3.3429 4.5090 4.5110 4.5331 4.5461 4.9755 5.0259 5.8291 5.8979 6.1169 6.1195 8.0000 8.0065 8.3065 8.3431 9.0627 9.0712 9.5353 9.5542 9.6106 9.6382 k = 0.0000 0.0000 0.2816 ( 6305 PWs) bands (ev): -6.3835 -6.3834 -4.5639 -4.5593 -4.3606 -4.3540 -4.3249 -4.3114 -2.3161 -2.2136 -2.2071 -2.1683 -2.1554 -2.1056 -2.0365 -2.0169 -1.9313 -1.7004 -1.5790 -1.5355 -1.5104 -1.5054 -1.4613 -1.4356 -1.3726 -1.3623 -1.2861 -1.2376 -1.2106 -1.1129 0.4594 0.4801 2.0699 2.0877 2.4338 2.4881 2.5224 2.5744 2.8520 2.8535 3.3763 3.3835 4.4284 4.4440 4.5411 4.5608 4.9758 5.0190 5.7601 5.8291 6.0969 6.0986 8.0376 8.0420 8.3743 8.4155 9.1157 9.1223 9.5552 9.5780 9.7033 9.7333 k = 0.0000 0.0000 0.3032 ( 6305 PWs) bands (ev): -6.3618 -6.3617 -4.6007 -4.5964 -4.3699 -4.3632 -4.3279 -4.3142 -2.3003 -2.2093 -2.2057 -2.1670 -2.1565 -2.0964 -2.0388 -2.0198 -1.9187 -1.6860 -1.5806 -1.5396 -1.5072 -1.5060 -1.4637 -1.4380 -1.3752 -1.3664 -1.2868 -1.2401 -1.1969 -1.1016 0.4368 0.4559 2.0729 2.0915 2.4669 2.4798 2.5301 2.5437 2.8969 2.9013 3.4221 3.4347 4.3170 4.3397 4.5724 4.5931 4.9970 5.0342 5.6884 5.7569 6.0785 6.0789 8.0763 8.0786 8.4335 8.4785 9.1434 9.1493 9.5753 9.6025 9.8182 9.8518 k = 0.0000 0.0000 0.3249 ( 6285 PWs) bands (ev): -6.3387 -6.3385 -4.6386 -4.6345 -4.3793 -4.3727 -4.3310 -4.3174 -2.2845 -2.2111 -2.2020 -2.1643 -2.1572 -2.0879 -2.0407 -2.0220 -1.9022 -1.6725 -1.5819 -1.5435 -1.5064 -1.5039 -1.4656 -1.4405 -1.3778 -1.3700 -1.2876 -1.2432 -1.1815 -1.0906 0.4126 0.4298 2.0782 2.0976 2.4060 2.4404 2.5673 2.5992 2.9423 2.9542 3.4779 3.4952 4.1986 4.2278 4.6063 4.6290 5.0289 5.0616 5.6156 5.6832 6.0599 6.0609 8.1162 8.1164 8.4845 8.5323 9.1520 9.1582 9.5956 9.6264 9.9441 9.9816 k = 0.0000 0.0000 0.3465 ( 6273 PWs) bands (ev): -6.3143 -6.3141 -4.6773 -4.6737 -4.3886 -4.3823 -4.3344 -4.3208 -2.2692 -2.2125 -2.2014 -2.1608 -2.1576 -2.0810 -2.0423 -2.0239 -1.8816 -1.6603 -1.5827 -1.5471 -1.5068 -1.5005 -1.4674 -1.4430 -1.3804 -1.3732 -1.2888 -1.2471 -1.1643 -1.0797 0.3869 0.4021 2.0859 2.1058 2.3412 2.3744 2.6270 2.6530 2.9903 3.0108 3.5424 3.5637 4.0802 4.1149 4.6419 4.6667 5.0655 5.0945 5.5442 5.6100 6.0414 6.0439 8.1556 8.1573 8.5278 8.5773 9.1472 9.1543 9.6155 9.6481 10.0685 10.1098 k = 0.0000 0.0000 0.3682 ( 6275 PWs) bands (ev): -6.2887 -6.2883 -4.7167 -4.7136 -4.3978 -4.3918 -4.3379 -4.3247 -2.2545 -2.2136 -2.2025 -2.1577 -2.1573 -2.0765 -2.0435 -2.0256 -1.8572 -1.6495 -1.5832 -1.5503 -1.5072 -1.4970 -1.4689 -1.4456 -1.3832 -1.3760 -1.2903 -1.2517 -1.1453 -1.0688 0.3598 0.3730 2.0961 2.1159 2.2749 2.3050 2.6844 2.7026 3.0415 3.0711 3.6145 3.6392 3.9662 4.0059 4.6782 4.7051 5.1028 5.1270 5.4778 5.5398 6.0232 6.0274 8.1960 8.1996 8.5642 8.6140 9.1326 9.1407 9.6337 9.6660 10.1793 10.2231 k = 0.0000 0.0000 0.3898 ( 6257 PWs) bands (ev): -6.2618 -6.2614 -4.7568 -4.7541 -4.4068 -4.4012 -4.3417 -4.3289 -2.2408 -2.2142 -2.2043 -2.1572 -2.1540 -2.0741 -2.0441 -2.0272 -1.8297 -1.6402 -1.5832 -1.5529 -1.5075 -1.4933 -1.4700 -1.4481 -1.3859 -1.3785 -1.2920 -1.2570 -1.1243 -1.0574 0.3316 0.3427 2.1091 2.1256 2.2109 2.2350 2.7344 2.7452 3.0966 3.1342 3.6931 3.7209 3.8613 3.9051 4.7143 4.7434 5.1354 5.1512 5.4236 5.4773 6.0056 6.0114 8.2376 8.2432 8.5941 8.6430 9.1099 9.1192 9.6487 9.6782 10.2665 10.2681 k = 0.0000 0.0000 0.4115 ( 6247 PWs) bands (ev): -6.2338 -6.2333 -4.7972 -4.7951 -4.4154 -4.4104 -4.3457 -4.3334 -2.2287 -2.2143 -2.2066 -2.1561 -2.1510 -2.0733 -2.0441 -2.0291 -1.8000 -1.6324 -1.5827 -1.5547 -1.5078 -1.4896 -1.4709 -1.4506 -1.3888 -1.3806 -1.2942 -1.2629 -1.1014 -1.0455 0.3023 0.3114 2.1154 2.1241 2.1662 2.1700 2.7722 2.7775 3.1553 3.1975 3.7628 3.7861 3.8007 3.8245 4.7491 4.7807 5.1542 5.1550 5.3943 5.4309 5.9886 5.9963 8.2803 8.2878 8.6180 8.6648 9.0802 9.0904 9.6586 9.6830 10.2522 10.3013 k = 0.0000 0.0000 0.4332 ( 6255 PWs) bands (ev): -6.2048 -6.2041 -4.8379 -4.8364 -4.4237 -4.4192 -4.3499 -4.3383 -2.2191 -2.2132 -2.2091 -2.1544 -2.1484 -2.0737 -2.0436 -2.0316 -1.7691 -1.6262 -1.5816 -1.5557 -1.5080 -1.4858 -1.4716 -1.4531 -1.3918 -1.3826 -1.2968 -1.2696 -1.0765 -1.0325 0.2721 0.2792 2.0615 2.0964 2.1449 2.1773 2.7935 2.7955 3.2151 3.2554 3.7027 3.7459 3.8696 3.9028 4.7818 4.8162 5.1278 5.1499 5.3984 5.4124 5.9725 5.9821 8.3238 8.3334 8.6363 8.6799 9.0436 9.0545 9.6617 9.6785 10.2343 10.2799 k = 0.0000 0.0000 0.4548 ( 6255 PWs) bands (ev): -6.1747 -6.1739 -4.8789 -4.8779 -4.4315 -4.4277 -4.3544 -4.3436 -2.2154 -2.2114 -2.2078 -2.1518 -2.1458 -2.0750 -2.0424 -2.0346 -1.7381 -1.6217 -1.5799 -1.5559 -1.5082 -1.4820 -1.4720 -1.4555 -1.3949 -1.3843 -1.2997 -1.2768 -1.0498 -1.0181 0.2411 0.2464 1.9999 2.0319 2.1659 2.1973 2.7947 2.7953 3.2707 3.2982 3.6730 3.7044 3.9640 3.9997 4.8113 4.8492 5.0822 5.1186 5.4241 5.4265 5.9576 5.9693 8.3679 8.3797 8.6492 8.6884 9.0002 9.0113 9.6561 9.6631 10.2136 10.2560 k = 0.0000 0.0000 0.4765 ( 6253 PWs) bands (ev): -6.1436 -6.1427 -4.9200 -4.9196 -4.4387 -4.4356 -4.3591 -4.3492 -2.2141 -2.2135 -2.2016 -2.1484 -2.1435 -2.0767 -2.0406 -2.0383 -1.7077 -1.6185 -1.5774 -1.5552 -1.5084 -1.4783 -1.4721 -1.4578 -1.3980 -1.3859 -1.3030 -1.2844 -1.0211 -1.0018 0.2094 0.2131 1.9398 1.9701 2.1903 2.2216 2.7739 2.7743 3.3146 3.3193 3.6885 3.6978 4.0624 4.1009 4.8361 4.8790 5.0316 5.0728 5.4548 5.4659 5.9442 5.9580 8.4120 8.4263 8.6563 8.6903 8.9498 8.9604 9.6357 9.6402 10.1902 10.2303 k = 0.0000 0.0000 0.4981 ( 6248 PWs) bands (ev): -6.1117 -6.1106 -4.9612 -4.9611 -4.4453 -4.4429 -4.3640 -4.3552 -2.2154 -2.2129 -2.1967 -2.1444 -2.1412 -2.0787 -2.0426 -2.0384 -1.6789 -1.6165 -1.5739 -1.5540 -1.5084 -1.4749 -1.4716 -1.4600 -1.4013 -1.3874 -1.3066 -1.2923 -0.9905 -0.9832 0.1770 0.1792 1.8828 1.9121 2.2178 2.2493 2.7310 2.7332 3.3252 3.3425 3.7281 3.7415 4.1637 4.2054 4.8538 4.9049 4.9854 5.0242 5.4944 5.5100 5.9326 5.9488 8.4551 8.4726 8.6572 8.6851 8.8927 8.9018 9.5961 9.6128 10.1651 10.2040 k = 0.0000 0.0000 0.5198 ( 6248 PWs) bands (ev): -6.0790 -6.0777 -5.0029 -5.0022 -4.4512 -4.4496 -4.3692 -4.3614 -2.2168 -2.2114 -2.1933 -2.1402 -2.1390 -2.0810 -2.0475 -2.0359 -1.6528 -1.6153 -1.5692 -1.5526 -1.5084 -1.4731 -1.4692 -1.4621 -1.4046 -1.3888 -1.3105 -1.3005 -0.9619 -0.9581 0.1440 0.1449 1.8297 1.8584 2.2481 2.2798 2.6701 2.6753 3.3267 3.3574 3.7868 3.8162 4.2667 4.3126 4.8597 4.9258 4.9526 4.9806 5.5376 5.5558 5.9231 5.9417 8.4951 8.5173 8.6511 8.6719 8.8302 8.8363 9.5453 9.5741 10.1401 10.1789 k = 0.0000 0.0000 0.5414 ( 6252 PWs) bands (ev): -6.0455 -6.0440 -5.0444 -5.0432 -4.4564 -4.4556 -4.3747 -4.3680 -2.2179 -2.2097 -2.1909 -2.1370 -2.1359 -2.0836 -2.0530 -2.0334 -1.6305 -1.6145 -1.5627 -1.5511 -1.5082 -1.4725 -1.4655 -1.4640 -1.4080 -1.3901 -1.3146 -1.3088 -0.9377 -0.9239 0.1102 0.1104 1.7810 1.8094 2.2812 2.3130 2.5966 2.6052 3.3282 3.3644 3.8617 3.9004 4.3701 4.4213 4.8505 4.9296 4.9395 4.9589 5.5818 5.6017 5.9158 5.9369 8.5269 8.5565 8.6364 8.6494 8.7673 8.7675 9.4861 9.5258 10.1170 10.1562 k = 0.0000 0.0000 0.5631 ( 6252 PWs) bands (ev): -6.0113 -6.0096 -5.0858 -5.0841 -4.4608 -4.4607 -4.3803 -4.3748 -2.2184 -2.2078 -2.1892 -2.1350 -2.1316 -2.0863 -2.0588 -2.0311 -1.6139 -1.6128 -1.5542 -1.5500 -1.5076 -1.4719 -1.4658 -1.4617 -1.4113 -1.3913 -1.3188 -1.3171 -0.9102 -0.8881 0.0751 0.0762 1.7372 1.7655 2.3170 2.3481 2.5162 2.5278 3.3293 3.3659 3.9433 3.9868 4.4714 4.5300 4.8370 4.9100 4.9394 4.9704 5.6256 5.6467 5.9109 5.9345 8.5338 8.5717 8.6116 8.6190 8.7111 8.7200 9.4223 9.4711 10.0968 10.1364 k = 0.0000 0.0000 0.5848 ( 6250 PWs) bands (ev): -5.9764 -5.9746 -5.1271 -5.1249 -4.4651 -4.4645 -4.3862 -4.3818 -2.2183 -2.2058 -2.1879 -2.1331 -2.1274 -2.0894 -2.0649 -2.0292 -1.6133 -1.5998 -1.5493 -1.5444 -1.5063 -1.4712 -1.4674 -1.4579 -1.4145 -1.3922 -1.3251 -1.3229 -0.8795 -0.8507 0.0397 0.0413 1.6986 1.7271 2.3546 2.3791 2.4387 2.4474 3.3279 3.3618 4.0249 4.0702 4.5669 4.6350 4.8329 4.9004 4.9440 4.9881 5.6680 5.6901 5.9084 5.9343 8.4923 8.5231 8.5741 8.5807 8.7062 8.7133 9.3588 9.4144 10.0799 10.1197 k = 0.0000 0.0000 0.6064 ( 6268 PWs) bands (ev): -5.9410 -5.9390 -5.1681 -5.1656 -4.4686 -4.4672 -4.3922 -4.3889 -2.2177 -2.2038 -2.1871 -2.1314 -2.1231 -2.0929 -2.0709 -2.0281 -1.6124 -1.5904 -1.5493 -1.5354 -1.5037 -1.4705 -1.4689 -1.4545 -1.4174 -1.3930 -1.3331 -1.3272 -0.8455 -0.8120 0.0038 0.0056 1.6656 1.6944 2.3352 2.3571 2.4035 2.4377 3.3220 3.3514 4.1019 4.1466 4.6502 4.7262 4.8491 4.9085 4.9538 5.0127 5.7085 5.7315 5.9080 5.9360 8.4135 8.4369 8.5220 8.5231 8.7373 8.7377 9.3001 9.3599 10.0663 10.1059 k = 0.0000 0.0000 0.6281 ( 6268 PWs) bands (ev): -5.9051 -5.9028 -5.2089 -5.2061 -4.4712 -4.4692 -4.3984 -4.3962 -2.2163 -2.2018 -2.1865 -2.1299 -2.1186 -2.0970 -2.0766 -2.0279 -1.6112 -1.5832 -1.5499 -1.5291 -1.4991 -1.4702 -1.4696 -1.4515 -1.4196 -1.3933 -1.3407 -1.3314 -0.8085 -0.7719 -0.0326 -0.0308 1.6383 1.6677 2.2530 2.2785 2.4439 2.4786 3.3103 3.3340 4.1714 4.2134 4.7127 4.7819 4.8961 4.9366 4.9807 5.0514 5.7466 5.7705 5.9094 5.9391 8.3191 8.3381 8.4519 8.4553 8.7715 8.7771 9.2493 9.3108 10.0555 10.0948 k = 0.0000 0.0000 0.6497 ( 6270 PWs) bands (ev): -5.8688 -5.8662 -5.2495 -5.2463 -4.4730 -4.4703 -4.4046 -4.4035 -2.2143 -2.1998 -2.1862 -2.1290 -2.1139 -2.1015 -2.0816 -2.0285 -1.6096 -1.5772 -1.5512 -1.5259 -1.4932 -1.4713 -1.4686 -1.4494 -1.4208 -1.3930 -1.3479 -1.3355 -0.7687 -0.7308 -0.0694 -0.0681 1.6171 1.6472 2.1709 2.1988 2.4899 2.5240 3.2919 3.3093 4.2323 4.2700 4.7484 4.8011 4.9533 4.9842 5.0441 5.1091 5.7820 5.8066 5.9123 5.9432 8.2189 8.2351 8.3693 8.3755 8.8082 8.8174 9.2075 9.2686 10.0474 10.0860 k = 0.0000 0.0000 0.6714 ( 6262 PWs) bands (ev): -5.8320 -5.8293 -5.2899 -5.2864 -4.4738 -4.4706 -4.4109 -4.4109 -2.2114 -2.1979 -2.1859 -2.1289 -2.1088 -2.1062 -2.0859 -2.0301 -1.6075 -1.5718 -1.5533 -1.5250 -1.4873 -1.4722 -1.4675 -1.4484 -1.4207 -1.3920 -1.3548 -1.3395 -0.7266 -0.6888 -0.1068 -0.1063 1.6022 1.6330 2.0918 2.1219 2.5385 2.5719 3.2664 3.2774 4.2856 4.3179 4.7598 4.7991 5.0129 5.0481 5.1318 5.1819 5.8141 5.8396 5.9162 5.9474 8.1185 8.1325 8.2780 8.2857 8.8446 8.8568 9.1744 9.2333 10.0415 10.0796 k = 0.0000 0.0000 0.6930 ( 6270 PWs) bands (ev): -5.7949 -5.7919 -5.3300 -5.3264 -4.4737 -4.4700 -4.4182 -4.4173 -2.2079 -2.1962 -2.1859 -2.1309 -2.1098 -2.1033 -2.0895 -2.0328 -1.6050 -1.5669 -1.5561 -1.5254 -1.4826 -1.4729 -1.4664 -1.4485 -1.4191 -1.3902 -1.3614 -1.3435 -0.6826 -0.6462 -0.1455 -0.1448 1.5937 1.6254 2.0169 2.0487 2.5894 2.6219 3.2343 3.2390 4.3333 4.3597 4.7542 4.7839 5.0823 5.1232 5.2219 5.2609 5.8430 5.8691 5.9210 5.9514 8.0221 8.0342 8.1820 8.1901 8.8795 8.8945 9.1480 9.2038 10.0378 10.0754 k = 0.0000 0.0000 0.7147 ( 6274 PWs) bands (ev): -5.7574 -5.7543 -5.3699 -5.3661 -4.4728 -4.4687 -4.4253 -4.4235 -2.2037 -2.1946 -2.1860 -2.1353 -2.1113 -2.0975 -2.0926 -2.0363 -1.6020 -1.5621 -1.5595 -1.5267 -1.4792 -1.4734 -1.4652 -1.4496 -1.4163 -1.3877 -1.3676 -1.3476 -0.6372 -0.6030 -0.1858 -0.1834 1.5919 1.6244 1.9468 1.9802 2.6422 2.6737 3.1950 3.1962 4.3776 4.3982 4.7376 4.7604 5.1581 5.2039 5.3048 5.3380 5.8682 5.8948 5.9264 5.9543 7.9338 7.9443 8.0854 8.0934 8.9123 8.9300 9.1266 9.1786 10.0361 10.0733 k = 0.0000 0.0000 0.7364 ( 6266 PWs) bands (ev): -5.7197 -5.7163 -5.4096 -5.4057 -4.4710 -4.4666 -4.4322 -4.4297 -2.1987 -2.1932 -2.1862 -2.1418 -2.1112 -2.0953 -2.0912 -2.0407 -1.5986 -1.5634 -1.5575 -1.5285 -1.4770 -1.4737 -1.4639 -1.4511 -1.4127 -1.3845 -1.3734 -1.3516 -0.5909 -0.5596 -0.2272 -0.2227 1.5968 1.6302 1.8821 1.9167 2.6967 2.7270 3.1463 3.1528 4.4202 4.4353 4.7138 4.7313 5.2350 5.2847 5.3751 5.4066 5.8897 5.9162 5.9326 5.9557 7.8580 7.8667 7.9929 8.0001 8.9427 8.9632 9.1082 9.1563 10.0365 10.0735 k = 0.0000 0.0000 0.7580 ( 6270 PWs) bands (ev): -5.6817 -5.6782 -5.4491 -5.4451 -4.4684 -4.4638 -4.4388 -4.4356 -2.1931 -2.1919 -2.1866 -2.1492 -2.1101 -2.0979 -2.0847 -2.0458 -1.5949 -1.5677 -1.5531 -1.5310 -1.4758 -1.4740 -1.4626 -1.4529 -1.4087 -1.3808 -1.3791 -1.3557 -0.5439 -0.5161 -0.2697 -0.2628 1.6085 1.6428 1.8234 1.8587 2.7526 2.7813 3.0940 3.1053 4.4619 4.4720 4.6850 4.6982 5.3079 5.3602 5.4281 5.4615 5.9075 5.9325 5.9398 5.9552 7.7990 7.8057 7.9090 7.9152 8.9705 8.9938 9.0913 9.1354 10.0390 10.0757 k = 0.0000 0.0000 0.7797 ( 6276 PWs) bands (ev): -5.6434 -5.6398 -5.4884 -5.4844 -4.4650 -4.4604 -4.4451 -4.4414 -2.1907 -2.1872 -2.1868 -2.1571 -2.1086 -2.1003 -2.0780 -2.0517 -1.5907 -1.5723 -1.5488 -1.5339 -1.4752 -1.4741 -1.4612 -1.4548 -1.4043 -1.3845 -1.3768 -1.3599 -0.4969 -0.4727 -0.3134 -0.3035 1.6272 1.6622 1.7708 1.8066 2.8096 2.8365 3.0392 3.0546 4.5032 4.5089 4.6528 4.6622 5.3719 5.4254 5.4602 5.4983 5.9218 5.9432 5.9477 5.9527 7.7605 7.7650 7.8385 7.8431 8.9957 9.0221 9.0747 9.1150 10.0436 10.0802 k = 0.0000 0.0000 0.8013 ( 6272 PWs) bands (ev): -5.6050 -5.6012 -5.5274 -5.5235 -4.4610 -4.4564 -4.4509 -4.4468 -2.1896 -2.1879 -2.1799 -2.1650 -2.1067 -2.1025 -2.0712 -2.0579 -1.5863 -1.5770 -1.5447 -1.5372 -1.4748 -1.4743 -1.4597 -1.4565 -1.3996 -1.3897 -1.3726 -1.3641 -0.4500 -0.4297 -0.3581 -0.3450 1.6528 1.6884 1.7247 1.7607 2.8672 2.8919 2.9826 3.0017 4.5442 4.5458 4.6183 4.6242 5.4227 5.4695 5.4752 5.5135 5.9330 5.9481 5.9501 5.9531 7.7455 7.7475 7.7858 7.7885 9.0184 9.0480 9.0574 9.0940 10.0502 10.0694 k = 0.0000 0.0000 0.8230 ( 6268 PWs) bands (ev): -5.5663 -5.5663 -5.5624 -5.5624 -4.4562 -4.4562 -4.4518 -4.4518 -2.1887 -2.1887 -2.1726 -2.1726 -2.1047 -2.1047 -2.0644 -2.0644 -1.5817 -1.5817 -1.5407 -1.5407 -1.4745 -1.4745 -1.4581 -1.4581 -1.3947 -1.3947 -1.3684 -1.3684 -0.4037 -0.4037 -0.3870 -0.3870 1.6853 1.6853 1.7213 1.7213 2.9251 2.9251 2.9472 2.9472 4.5824 4.5824 4.5847 4.5847 5.4563 5.4563 5.5056 5.5056 5.9416 5.9416 5.9538 5.9538 7.7547 7.7547 7.7551 7.7551 9.0388 9.0388 9.0719 9.0719 10.0588 10.0588 k = 0.0000 0.0000 0.8230 ( 6268 PWs) bands (ev): -5.5663 -5.5663 -5.5624 -5.5624 -4.4562 -4.4562 -4.4518 -4.4518 -2.1887 -2.1887 -2.1726 -2.1726 -2.1047 -2.1047 -2.0644 -2.0644 -1.5817 -1.5817 -1.5407 -1.5407 -1.4745 -1.4745 -1.4581 -1.4581 -1.3947 -1.3947 -1.3684 -1.3684 -0.4037 -0.4037 -0.3870 -0.3870 1.6853 1.6853 1.7213 1.7213 2.9251 2.9251 2.9472 2.9472 4.5824 4.5824 4.5847 4.5847 5.4563 5.4563 5.5056 5.5056 5.9416 5.9416 5.9538 5.9538 7.7547 7.7547 7.7551 7.7551 9.0388 9.0388 9.0719 9.0719 10.0588 10.0588 k =-0.0122 0.0159 0.8230 ( 6276 PWs) bands (ev): -5.5664 -5.5664 -5.5625 -5.5625 -4.4563 -4.4563 -4.4519 -4.4519 -2.1888 -2.1888 -2.1725 -2.1725 -2.1057 -2.1057 -2.0640 -2.0640 -1.5823 -1.5823 -1.5406 -1.5406 -1.4760 -1.4760 -1.4568 -1.4568 -1.3957 -1.3957 -1.3679 -1.3679 -0.4015 -0.4015 -0.3848 -0.3848 1.6858 1.6858 1.7216 1.7216 2.9251 2.9251 2.9473 2.9473 4.5776 4.5776 4.5830 4.5830 5.4554 5.4554 5.5047 5.5047 5.9379 5.9379 5.9523 5.9523 7.7569 7.7569 7.7585 7.7585 9.0446 9.0446 9.0774 9.0774 10.0575 10.0575 k =-0.0244 0.0319 0.8230 ( 6274 PWs) bands (ev): -5.5665 -5.5665 -5.5627 -5.5627 -4.4567 -4.4567 -4.4521 -4.4521 -2.1893 -2.1893 -2.1721 -2.1721 -2.1086 -2.1086 -2.0628 -2.0628 -1.5841 -1.5841 -1.5400 -1.5400 -1.4793 -1.4793 -1.4536 -1.4536 -1.3982 -1.3982 -1.3665 -1.3665 -0.3951 -0.3951 -0.3781 -0.3781 1.6873 1.6873 1.7228 1.7228 2.9254 2.9254 2.9477 2.9477 4.5656 4.5656 4.5757 4.5757 5.4527 5.4527 5.5023 5.5023 5.9276 5.9276 5.9471 5.9471 7.7646 7.7646 7.7678 7.7678 9.0614 9.0614 9.0936 9.0936 10.0534 10.0534 k =-0.0366 0.0478 0.8230 ( 6274 PWs) bands (ev): -5.5669 -5.5669 -5.5630 -5.5630 -4.4572 -4.4572 -4.4524 -4.4524 -2.1901 -2.1901 -2.1715 -2.1715 -2.1130 -2.1130 -2.0613 -2.0613 -1.5869 -1.5869 -1.5391 -1.5391 -1.4833 -1.4833 -1.4500 -1.4500 -1.4016 -1.4016 -1.3648 -1.3648 -0.3845 -0.3845 -0.3672 -0.3672 1.6897 1.6897 1.7247 1.7247 2.9257 2.9257 2.9484 2.9484 4.5475 4.5475 4.5623 4.5623 5.4482 5.4482 5.4983 5.4983 5.9117 5.9117 5.9376 5.9376 7.7781 7.7781 7.7827 7.7827 9.0885 9.0885 9.1195 9.1195 10.0462 10.0462 k =-0.0488 0.0637 0.8230 ( 6270 PWs) bands (ev): -5.5673 -5.5673 -5.5635 -5.5635 -4.4578 -4.4578 -4.4529 -4.4529 -2.1911 -2.1911 -2.1707 -2.1707 -2.1183 -2.1183 -2.0598 -2.0598 -1.5906 -1.5906 -1.5382 -1.5382 -1.4874 -1.4874 -1.4463 -1.4463 -1.4056 -1.4056 -1.3631 -1.3631 -0.3700 -0.3700 -0.3523 -0.3523 1.6931 1.6931 1.7274 1.7274 2.9262 2.9262 2.9493 2.9493 4.5238 4.5238 4.5430 4.5430 5.4418 5.4418 5.4928 5.4928 5.8912 5.8912 5.9237 5.9237 7.7972 7.7972 7.8032 7.8032 9.1241 9.1241 9.1538 9.1538 10.0353 10.0353 k =-0.0609 0.0797 0.8230 ( 6272 PWs) bands (ev): -5.5680 -5.5680 -5.5642 -5.5642 -4.4586 -4.4586 -4.4534 -4.4534 -2.1923 -2.1923 -2.1699 -2.1699 -2.1242 -2.1242 -2.0587 -2.0587 -1.5948 -1.5948 -1.5372 -1.5372 -1.4913 -1.4913 -1.4431 -1.4431 -1.4096 -1.4096 -1.3617 -1.3617 -0.3519 -0.3519 -0.3338 -0.3338 1.6975 1.6975 1.7309 1.7309 2.9267 2.9267 2.9503 2.9503 4.4950 4.4950 4.5185 4.5185 5.4337 5.4337 5.4860 5.4860 5.8665 5.8665 5.9056 5.9056 7.8220 7.8220 7.8292 7.8292 9.1662 9.1662 9.1944 9.1944 10.0199 10.0199 k =-0.0731 0.0956 0.8230 ( 6276 PWs) bands (ev): -5.5688 -5.5688 -5.5650 -5.5650 -4.4593 -4.4593 -4.4540 -4.4540 -2.1937 -2.1937 -2.1690 -2.1690 -2.1304 -2.1304 -2.0582 -2.0582 -1.5994 -1.5994 -1.5365 -1.5365 -1.4948 -1.4948 -1.4406 -1.4406 -1.4132 -1.4132 -1.3607 -1.3607 -0.3305 -0.3305 -0.3121 -0.3121 1.7031 1.7031 1.7353 1.7353 2.9273 2.9273 2.9515 2.9515 4.4619 4.4619 4.4894 4.4894 5.4237 5.4237 5.4778 5.4778 5.8384 5.8384 5.8841 5.8841 7.8522 7.8522 7.8605 7.8605 9.2123 9.2123 9.2389 9.2389 9.9998 9.9998 k =-0.0853 0.1115 0.8230 ( 6278 PWs) bands (ev): -5.5698 -5.5698 -5.5661 -5.5661 -4.4600 -4.4600 -4.4545 -4.4545 -2.1952 -2.1952 -2.1681 -2.1681 -2.1367 -2.1367 -2.0582 -2.0582 -1.6042 -1.6042 -1.5360 -1.5360 -1.4977 -1.4977 -1.4392 -1.4392 -1.4160 -1.4160 -1.3601 -1.3601 -0.3064 -0.3064 -0.2876 -0.2876 1.7098 1.7098 1.7407 1.7407 2.9279 2.9279 2.9528 2.9528 4.4253 4.4253 4.4565 4.4565 5.4119 5.4119 5.4685 5.4685 5.8075 5.8075 5.8596 5.8596 7.8875 7.8875 7.8968 7.8968 9.2593 9.2593 9.2845 9.2845 9.9750 9.9750 k =-0.0975 0.1275 0.8230 ( 6290 PWs) bands (ev): -5.5711 -5.5711 -5.5675 -5.5675 -4.4606 -4.4606 -4.4550 -4.4550 -2.1968 -2.1968 -2.1674 -2.1674 -2.1428 -2.1428 -2.0589 -2.0589 -1.6089 -1.6089 -1.5359 -1.5359 -1.4999 -1.4999 -1.4392 -1.4392 -1.4174 -1.4174 -1.3599 -1.3599 -0.2801 -0.2801 -0.2610 -0.2610 1.7178 1.7178 1.7470 1.7470 2.9285 2.9285 2.9541 2.9541 4.3860 4.3860 4.4204 4.4204 5.3982 5.3982 5.4581 5.4581 5.7745 5.7745 5.8330 5.8330 7.9273 7.9273 7.9376 7.9376 9.3041 9.3041 9.3279 9.3279 9.9460 9.9460 k =-0.1097 0.1434 0.8230 ( 6282 PWs) bands (ev): -5.5727 -5.5727 -5.5691 -5.5691 -4.4609 -4.4609 -4.4553 -4.4553 -2.1985 -2.1985 -2.1670 -2.1670 -2.1483 -2.1483 -2.0601 -2.0601 -1.6134 -1.6134 -1.5363 -1.5363 -1.5014 -1.5014 -1.4407 -1.4407 -1.4175 -1.4175 -1.3600 -1.3600 -0.2521 -0.2521 -0.2327 -0.2327 1.7272 1.7272 1.7545 1.7545 2.9290 2.9290 2.9553 2.9553 4.3448 4.3448 4.3821 4.3821 5.3828 5.3828 5.4465 5.4465 5.7401 5.7401 5.8050 5.8050 7.9712 7.9712 7.9823 7.9823 9.3431 9.3431 9.3661 9.3661 9.9139 9.9139 k =-0.1219 0.1593 0.8230 ( 6286 PWs) bands (ev): -5.5746 -5.5746 -5.5711 -5.5711 -4.4609 -4.4609 -4.4553 -4.4553 -2.2003 -2.2003 -2.1675 -2.1675 -2.1527 -2.1527 -2.0618 -2.0618 -1.6177 -1.6177 -1.5371 -1.5371 -1.5021 -1.5021 -1.4432 -1.4432 -1.4165 -1.4165 -1.3605 -1.3605 -0.2231 -0.2231 -0.2034 -0.2034 1.7381 1.7381 1.7631 1.7631 2.9293 2.9293 2.9565 2.9565 4.3026 4.3026 4.3423 4.3423 5.3655 5.3655 5.4337 5.4337 5.7051 5.7051 5.7763 5.7763 8.0183 8.0183 8.0302 8.0302 9.3735 9.3735 9.3959 9.3959 9.8798 9.8798 k =-0.1341 0.1753 0.8230 ( 6278 PWs) bands (ev): -5.5768 -5.5768 -5.5734 -5.5734 -4.4606 -4.4606 -4.4550 -4.4550 -2.2022 -2.2022 -2.1693 -2.1693 -2.1553 -2.1553 -2.0639 -2.0639 -1.6215 -1.6215 -1.5384 -1.5384 -1.5022 -1.5022 -1.4462 -1.4462 -1.4150 -1.4150 -1.3611 -1.3611 -0.1937 -0.1937 -0.1735 -0.1735 1.7506 1.7506 1.7731 1.7731 2.9294 2.9294 2.9574 2.9574 4.2602 4.2602 4.3020 4.3020 5.3464 5.3464 5.4195 5.4195 5.6704 5.6704 5.7476 5.7476 8.0677 8.0677 8.0806 8.0806 9.3926 9.3926 9.4148 9.4148 9.8451 9.8451 k =-0.1463 0.1912 0.8230 ( 6278 PWs) bands (ev): -5.5794 -5.5794 -5.5761 -5.5761 -4.4598 -4.4598 -4.4543 -4.4543 -2.2042 -2.2042 -2.1725 -2.1725 -2.1562 -2.1562 -2.0664 -2.0664 -1.6248 -1.6248 -1.5400 -1.5400 -1.5017 -1.5017 -1.4494 -1.4494 -1.4134 -1.4134 -1.3619 -1.3619 -0.1646 -0.1646 -0.1438 -0.1438 1.7649 1.7649 1.7847 1.7847 2.9293 2.9293 2.9581 2.9581 4.2184 4.2184 4.2617 4.2617 5.3255 5.3255 5.4036 5.4036 5.6367 5.6367 5.7197 5.7197 8.1185 8.1185 8.1324 8.1324 9.3994 9.3994 9.4216 9.4216 9.8103 9.8103 k =-0.1463 0.1912 0.8230 ( 6278 PWs) bands (ev): -5.5794 -5.5794 -5.5761 -5.5761 -4.4598 -4.4598 -4.4543 -4.4543 -2.2042 -2.2042 -2.1725 -2.1725 -2.1562 -2.1562 -2.0664 -2.0664 -1.6248 -1.6248 -1.5400 -1.5400 -1.5017 -1.5017 -1.4494 -1.4494 -1.4134 -1.4134 -1.3619 -1.3619 -0.1646 -0.1646 -0.1438 -0.1438 1.7649 1.7649 1.7847 1.7847 2.9293 2.9293 2.9581 2.9581 4.2184 4.2184 4.2617 4.2617 5.3255 5.3255 5.4036 5.4036 5.6367 5.6367 5.7197 5.7197 8.1185 8.1185 8.1324 8.1324 9.3994 9.3994 9.4216 9.4216 9.8103 9.8103 k =-0.1556 0.2034 0.8077 ( 6273 PWs) bands (ev): -5.6038 -5.6007 -5.5592 -5.5561 -4.4642 -4.4612 -4.4506 -4.4482 -2.2080 -2.2038 -2.1774 -2.1739 -2.1589 -2.1525 -2.0713 -2.0652 -1.6287 -1.6255 -1.5441 -1.5389 -1.5022 -1.5001 -1.4535 -1.4496 -1.4135 -1.4106 -1.3638 -1.3609 -0.1818 -0.1619 -0.1012 -0.0846 1.7651 1.7819 1.7923 1.8102 2.8948 2.9254 2.9631 2.9900 4.1690 4.2036 4.2149 4.2501 5.2807 5.3055 5.3838 5.3996 5.5891 5.6184 5.6946 5.7338 8.1589 8.1618 8.1732 8.1774 9.3787 9.3943 9.4188 9.4384 9.7569 9.8037 k =-0.1649 0.2156 0.7924 ( 6276 PWs) bands (ev): -5.6273 -5.6242 -5.5404 -5.5375 -4.4693 -4.4662 -4.4423 -4.4405 -2.2124 -2.2033 -2.1830 -2.1750 -2.1613 -2.1480 -2.0761 -2.0638 -1.6323 -1.6260 -1.5482 -1.5379 -1.5026 -1.4986 -1.4572 -1.4495 -1.4135 -1.4080 -1.3654 -1.3599 -0.2025 -0.1803 -0.0397 -0.0238 1.7722 1.7858 1.8211 1.8369 2.8610 2.8937 2.9936 3.0188 4.1225 4.1638 4.1941 4.2374 5.2199 5.2517 5.3684 5.3807 5.5508 5.5753 5.7100 5.7592 8.2053 8.2083 8.2213 8.2249 9.3456 9.3597 9.4326 9.4555 9.7085 9.7531 k =-0.1742 0.2277 0.7770 ( 6275 PWs) bands (ev): -5.6497 -5.6468 -5.5230 -5.5203 -4.4744 -4.4714 -4.4330 -4.4318 -2.2170 -2.2028 -2.1883 -2.1760 -2.1635 -2.1434 -2.0808 -2.0621 -1.6358 -1.6265 -1.5523 -1.5372 -1.5031 -1.4972 -1.4604 -1.4487 -1.4134 -1.4056 -1.3665 -1.3586 -0.2256 -0.2013 0.0221 0.0373 1.7861 1.7962 1.8511 1.8648 2.8280 2.8627 3.0210 3.0440 4.0796 4.1192 4.1794 4.2238 5.1505 5.1827 5.3277 5.3468 5.5324 5.5395 5.7391 5.7896 8.2497 8.2624 8.2690 8.2773 9.3022 9.3146 9.4462 9.4723 9.6670 9.7080 k =-0.1835 0.2399 0.7617 ( 6279 PWs) bands (ev): -5.6710 -5.6682 -5.5070 -5.5045 -4.4794 -4.4765 -4.4232 -4.4221 -2.2220 -2.2027 -2.1927 -2.1770 -2.1655 -2.1391 -2.0851 -2.0597 -1.6390 -1.6271 -1.5562 -1.5367 -1.5037 -1.4960 -1.4632 -1.4474 -1.4134 -1.4032 -1.3670 -1.3570 -0.2508 -0.2247 0.0837 0.0983 1.8063 1.8127 1.8822 1.8936 2.7961 2.8325 3.0447 3.0652 4.0403 4.0766 4.1641 4.2090 5.0766 5.1079 5.2636 5.2963 5.5210 5.5288 5.7725 5.8224 8.2899 8.3107 8.3217 8.3352 9.2519 9.2636 9.4570 9.4874 9.6356 9.6716 k =-0.1928 0.2521 0.7464 ( 6286 PWs) bands (ev): -5.6912 -5.6884 -5.4924 -5.4901 -4.4843 -4.4815 -4.4131 -4.4112 -2.2270 -2.2040 -2.1951 -2.1782 -2.1673 -2.1354 -2.0892 -2.0566 -1.6421 -1.6277 -1.5599 -1.5364 -1.5043 -1.4950 -1.4656 -1.4457 -1.4134 -1.4006 -1.3670 -1.3549 -0.2779 -0.2504 0.1447 0.1589 1.8324 1.8352 1.9140 1.9232 2.7652 2.8032 3.0644 3.0820 4.0045 4.0360 4.1479 4.1930 5.0007 5.0310 5.1913 5.2323 5.5157 5.5298 5.8077 5.8563 8.3229 8.3448 8.3836 8.3961 9.1997 9.2112 9.4599 9.4961 9.6205 9.6482 k =-0.2021 0.2642 0.7311 ( 6280 PWs) bands (ev): -5.7101 -5.7074 -5.4791 -5.4771 -4.4890 -4.4864 -4.4028 -4.3997 -2.2321 -2.2070 -2.1950 -2.1794 -2.1689 -2.1326 -2.0927 -2.0523 -1.6451 -1.6285 -1.5633 -1.5361 -1.5050 -1.4941 -1.4676 -1.4436 -1.4137 -1.3974 -1.3667 -1.3523 -0.3065 -0.2778 0.2047 0.2186 1.8622 1.8648 1.9464 1.9534 2.7354 2.7748 3.0802 3.0944 3.9713 3.9967 4.1310 4.1757 4.9247 4.9545 5.1175 5.1631 5.5155 5.5321 5.8436 5.8907 8.3454 8.3678 8.4468 8.4587 9.1507 9.1618 9.4488 9.4918 9.6255 9.6472 k =-0.2114 0.2764 0.7157 ( 6278 PWs) bands (ev): -5.7278 -5.7252 -5.4673 -5.4655 -4.4936 -4.4911 -4.3921 -4.3879 -2.2372 -2.2106 -2.1939 -2.1806 -2.1702 -2.1307 -2.0960 -2.0470 -1.6480 -1.6294 -1.5664 -1.5360 -1.5057 -1.4934 -1.4692 -1.4415 -1.4143 -1.3935 -1.3660 -1.3491 -0.3361 -0.3067 0.2633 0.2770 1.8945 1.9013 1.9789 1.9846 2.7067 2.7472 3.0919 3.1030 3.9390 3.9582 4.1138 4.1573 4.8499 4.8802 5.0458 5.0945 5.5166 5.5339 5.8798 5.9250 8.3546 8.3764 8.5095 8.5219 9.1090 9.1196 9.4252 9.4729 9.6474 9.6727 k =-0.2207 0.2886 0.7004 ( 6272 PWs) bands (ev): -5.7443 -5.7417 -5.4568 -5.4552 -4.4979 -4.4955 -4.3814 -4.3758 -2.2422 -2.2142 -2.1924 -2.1818 -2.1714 -2.1297 -2.0989 -2.0405 -1.6508 -1.6306 -1.5690 -1.5359 -1.5065 -1.4929 -1.4706 -1.4395 -1.4151 -1.3887 -1.3650 -1.3452 -0.3662 -0.3366 0.3201 0.3336 1.9306 1.9418 2.0111 2.0169 2.6791 2.7206 3.0995 3.1088 3.9045 3.9200 4.0967 4.1377 4.7778 4.8098 4.9786 5.0295 5.5175 5.5347 5.9159 5.9590 8.3490 8.3692 8.5701 8.5842 9.0769 9.0878 9.3954 9.4450 9.6841 9.7160 k =-0.2300 0.3008 0.6851 ( 6272 PWs) bands (ev): -5.7594 -5.7569 -5.4476 -5.4460 -4.5020 -4.4997 -4.3708 -4.3639 -2.2469 -2.2174 -2.1913 -2.1824 -2.1723 -2.1294 -2.1017 -2.0332 -1.6536 -1.6319 -1.5712 -1.5359 -1.5073 -1.4925 -1.4718 -1.4378 -1.4162 -1.3832 -1.3638 -1.3409 -0.3964 -0.3670 0.3746 0.3880 1.9696 1.9851 2.0432 2.0503 2.6526 2.6948 3.1031 3.1136 3.8642 3.8819 4.0806 4.1174 4.7095 4.7448 4.9177 4.9703 5.5177 5.5342 5.9515 5.9924 8.3290 8.3468 8.6275 8.6444 9.0549 9.0674 9.3637 9.4132 9.7326 9.7706 k =-0.2393 0.3129 0.6698 ( 6268 PWs) bands (ev): -5.7731 -5.7707 -5.4395 -5.4380 -4.5058 -4.5036 -4.3605 -4.3522 -2.2514 -2.2203 -2.1912 -2.1821 -2.1731 -2.1296 -2.1043 -2.0251 -1.6563 -1.6334 -1.5730 -1.5359 -1.5082 -1.4922 -1.4727 -1.4365 -1.4175 -1.3776 -1.3617 -1.3361 -0.4260 -0.3974 0.4263 0.4395 2.0102 2.0296 2.0760 2.0847 2.6272 2.6697 3.1040 3.1182 3.8173 3.8414 4.0660 4.0966 4.6462 4.6863 4.8641 4.9182 5.5169 5.5325 5.9863 6.0247 8.2967 8.3120 8.6804 8.7008 9.0424 9.0572 9.3324 9.3806 9.7902 9.8338 k =-0.2487 0.3251 0.6544 ( 6271 PWs) bands (ev): -5.7855 -5.7832 -5.4326 -5.4311 -4.5093 -4.5072 -4.3507 -4.3410 -2.2555 -2.2229 -2.1920 -2.1807 -2.1736 -2.1301 -2.1069 -2.0166 -1.6591 -1.6349 -1.5745 -1.5359 -1.5092 -1.4920 -1.4734 -1.4353 -1.4188 -1.3729 -1.3581 -1.3309 -0.4545 -0.4271 0.4746 0.4878 2.0512 2.0725 2.1106 2.1202 2.6028 2.6454 3.1041 3.1233 3.7644 3.7956 4.0527 4.0759 4.5890 4.6351 4.8186 4.8738 5.5153 5.5299 6.0200 6.0557 8.2558 8.2691 8.7276 8.7519 9.0377 9.0547 9.3029 9.3489 9.8547 9.9036 k =-0.2580 0.3373 0.6391 ( 6265 PWs) bands (ev): -5.7965 -5.7942 -5.4268 -5.4252 -4.5125 -4.5105 -4.3415 -4.3306 -2.2593 -2.2252 -2.1933 -2.1791 -2.1737 -2.1307 -2.1095 -2.0081 -1.6618 -1.6364 -1.5757 -1.5358 -1.5103 -1.4917 -1.4740 -1.4344 -1.4202 -1.3700 -1.3526 -1.3253 -0.4813 -0.4557 0.5190 0.5321 2.0910 2.1112 2.1470 2.1580 2.5797 2.6219 3.1052 3.1301 3.7062 3.7437 4.0398 4.0561 4.5389 4.5919 4.7811 4.8373 5.5131 5.5264 6.0521 6.0848 8.2102 8.2220 8.7683 8.7964 9.0392 9.0574 9.2760 9.3190 9.9240 9.9779 k =-0.2673 0.3494 0.6238 ( 6265 PWs) bands (ev): -5.8060 -5.8038 -5.4219 -5.4202 -4.5153 -4.5133 -4.3331 -4.3211 -2.2626 -2.2271 -2.1948 -2.1780 -2.1729 -2.1313 -2.1120 -1.9997 -1.6644 -1.6378 -1.5766 -1.5357 -1.5113 -1.4915 -1.4745 -1.4336 -1.4215 -1.3684 -1.3461 -1.3196 -0.5058 -0.4824 0.5590 0.5720 2.1282 2.1455 2.1828 2.1986 2.5580 2.5992 3.1089 3.1397 3.6436 3.6865 4.0252 4.0393 4.4963 4.5565 4.7512 4.8081 5.5105 5.5225 6.0821 6.1116 8.1636 8.1745 8.8019 8.8332 9.0451 9.0635 9.2523 9.2916 9.9959 10.0537 k =-0.2766 0.3616 0.6085 ( 6270 PWs) bands (ev): -5.8142 -5.8120 -5.4180 -5.4161 -4.5177 -4.5158 -4.3258 -4.3127 -2.2654 -2.2288 -2.1962 -2.1777 -2.1712 -2.1319 -2.1145 -1.9920 -1.6670 -1.6391 -1.5773 -1.5356 -1.5125 -1.4913 -1.4749 -1.4330 -1.4228 -1.3675 -1.3397 -1.3138 -0.5276 -0.5066 0.5939 0.6068 2.1618 2.1769 2.2163 2.2385 2.5384 2.5776 3.1169 3.1536 3.5781 3.6251 4.0078 4.0266 4.4616 4.5285 4.7281 4.7857 5.5077 5.5185 6.1095 6.1356 8.1192 8.1296 8.8281 8.8621 9.0539 9.0715 9.2324 9.2672 10.0677 10.1200 k =-0.2859 0.3738 0.5932 ( 6267 PWs) bands (ev): -5.8208 -5.8187 -5.4148 -5.4128 -4.5196 -4.5178 -4.3196 -4.3056 -2.2678 -2.2300 -2.1975 -2.1778 -2.1692 -2.1322 -2.1168 -1.9851 -1.6692 -1.6401 -1.5778 -1.5354 -1.5135 -1.4911 -1.4752 -1.4323 -1.4239 -1.3669 -1.3340 -1.3083 -0.5460 -0.5278 0.6234 0.6361 2.1915 2.2061 2.2462 2.2735 2.5218 2.5574 3.1307 3.1729 3.5112 3.5616 3.9904 4.0161 4.4346 4.5074 4.7109 4.7690 5.5051 5.5146 6.1336 6.1560 8.0794 8.0895 8.8476 8.8834 9.0640 9.0803 9.2167 9.2463 10.1361 10.1681 k =-0.2952 0.3859 0.5778 ( 6266 PWs) bands (ev): -5.8260 -5.8239 -5.4124 -5.4103 -4.5212 -4.5194 -4.3146 -4.3000 -2.2696 -2.2311 -2.1986 -2.1780 -2.1673 -2.1324 -2.1190 -1.9793 -1.6712 -1.6410 -1.5782 -1.5352 -1.5144 -1.4909 -1.4754 -1.4317 -1.4250 -1.3666 -1.3293 -1.3032 -0.5607 -0.5452 0.6468 0.6594 2.2176 2.2321 2.2708 2.3000 2.5095 2.5394 3.1516 3.1988 3.4449 3.4978 3.9751 4.0071 4.4147 4.4922 4.6986 4.7572 5.5029 5.5111 6.1537 6.1723 8.0463 8.0563 8.8612 8.8982 9.0739 9.0885 9.2053 9.2289 10.1966 10.2112 k =-0.3045 0.3981 0.5625 ( 6266 PWs) bands (ev): -5.8297 -5.8277 -5.4108 -5.4086 -4.5223 -4.5205 -4.3110 -4.2958 -2.2710 -2.2318 -2.1994 -2.1781 -2.1657 -2.1324 -2.1207 -1.9750 -1.6726 -1.6416 -1.5785 -1.5350 -1.5151 -1.4908 -1.4755 -1.4312 -1.4258 -1.3663 -1.3260 -1.2992 -0.5712 -0.5583 0.6639 0.6764 2.2397 2.2534 2.2885 2.3160 2.5025 2.5245 3.1806 3.2316 3.3814 3.4356 3.9633 4.0000 4.4013 4.4820 4.6905 4.7494 5.5012 5.5083 6.1689 6.1841 8.0215 8.0314 8.8700 8.9076 9.0821 9.0951 9.1984 9.2152 10.2404 10.2522 k =-0.3138 0.4103 0.5472 ( 6276 PWs) bands (ev): -5.8320 -5.8299 -5.4098 -5.4075 -4.5230 -4.5212 -4.3088 -4.2933 -2.2718 -2.2323 -2.1998 -2.1782 -2.1647 -2.1325 -2.1219 -1.9724 -1.6736 -1.6419 -1.5787 -1.5349 -1.5156 -1.4908 -1.4756 -1.4309 -1.4265 -1.3663 -1.3240 -1.2966 -0.5776 -0.5665 0.6742 0.6866 2.2562 2.2671 2.2993 2.3219 2.5007 2.5137 3.2178 3.2698 3.3243 3.3771 3.9558 3.9954 4.3936 4.4762 4.6859 4.7450 5.5002 5.5066 6.1786 6.1910 8.0062 8.0160 8.8749 8.9128 9.0875 9.0993 9.1959 9.2053 10.2653 10.2837 k =-0.3231 0.4225 0.5319 ( 6276 PWs) bands (ev): -5.8327 -5.8307 -5.4094 -5.4072 -4.5232 -4.5215 -4.3081 -4.2925 -2.2720 -2.2324 -2.2000 -2.1783 -2.1644 -2.1324 -2.1223 -1.9715 -1.6739 -1.6420 -1.5787 -1.5349 -1.5158 -1.4907 -1.4757 -1.4307 -1.4267 -1.3662 -1.3233 -1.2957 -0.5797 -0.5693 0.6777 0.6901 2.2631 2.2713 2.3033 2.3226 2.5014 2.5089 3.2556 3.2696 3.3235 3.3267 3.9533 3.9938 4.3911 4.4743 4.6844 4.7435 5.4998 5.5059 6.1820 6.1933 8.0010 8.0108 8.8764 8.9144 9.0894 9.1007 9.1964 9.2007 10.2739 10.2952 k =-0.3231 0.4225 0.5319 ( 6276 PWs) bands (ev): -5.8327 -5.8307 -5.4094 -5.4072 -4.5232 -4.5215 -4.3081 -4.2925 -2.2720 -2.2324 -2.2000 -2.1783 -2.1644 -2.1324 -2.1223 -1.9715 -1.6739 -1.6420 -1.5787 -1.5349 -1.5158 -1.4907 -1.4757 -1.4307 -1.4267 -1.3662 -1.3233 -1.2957 -0.5797 -0.5693 0.6777 0.6901 2.2631 2.2713 2.3033 2.3226 2.5014 2.5089 3.2556 3.2696 3.3235 3.3267 3.9533 3.9938 4.3911 4.4743 4.6844 4.7435 5.4998 5.5059 6.1820 6.1933 8.0010 8.0108 8.8764 8.9144 9.0894 9.1007 9.1964 9.2007 10.2739 10.2952 k =-0.3139 0.4104 0.5167 ( 6278 PWs) bands (ev): -5.8515 -5.8496 -5.3783 -5.3759 -4.5300 -4.5290 -4.3084 -4.2925 -2.2724 -2.2350 -2.1996 -2.1790 -2.1605 -2.1357 -2.1227 -1.9670 -1.6774 -1.6432 -1.5800 -1.5390 -1.5141 -1.4929 -1.4748 -1.4300 -1.4292 -1.3652 -1.3188 -1.2886 -0.6057 -0.6018 0.7130 0.7260 2.2664 2.2852 2.3292 2.3309 2.4809 2.4832 3.2293 3.2694 3.2990 3.3174 3.8827 3.9258 4.4187 4.5055 4.6353 4.7003 5.5366 5.5430 6.1950 6.2046 8.0346 8.0469 8.9206 8.9560 9.0914 9.1019 9.2152 9.2176 10.3862 10.3873 k =-0.3047 0.3983 0.5015 ( 6270 PWs) bands (ev): -5.8719 -5.8702 -5.3458 -5.3433 -4.5349 -4.5346 -4.3086 -4.2926 -2.2722 -2.2371 -2.1993 -2.1804 -2.1563 -2.1390 -2.1217 -1.9628 -1.6814 -1.6441 -1.5812 -1.5442 -1.5125 -1.4943 -1.4737 -1.4318 -1.4292 -1.3641 -1.3142 -1.2817 -0.6355 -0.6323 0.7398 0.7537 2.2711 2.2876 2.3618 2.3654 2.4605 2.4639 3.1986 3.2423 3.2973 3.3149 3.8107 3.8561 4.4479 4.5387 4.5928 4.6640 5.5673 5.5741 6.2018 6.2095 8.0690 8.0840 8.9541 8.9828 9.0952 9.1047 9.2409 9.2463 10.4825 10.5048 k =-0.2954 0.3862 0.4863 ( 6272 PWs) bands (ev): -5.8938 -5.8922 -5.3122 -5.3095 -4.5383 -4.5378 -4.3087 -4.2926 -2.2714 -2.2385 -2.1992 -2.1820 -2.1531 -2.1422 -2.1188 -1.9590 -1.6861 -1.6448 -1.5824 -1.5503 -1.5110 -1.4950 -1.4723 -1.4347 -1.4282 -1.3631 -1.3098 -1.2750 -0.6704 -0.6591 0.7583 0.7732 2.2764 2.2814 2.3996 2.4092 2.4535 2.4537 3.1688 3.2114 3.2983 3.3105 3.7376 3.7852 4.4759 4.5450 4.5862 4.6374 5.5916 5.5986 6.2023 6.2077 8.1035 8.1212 8.9772 8.9959 9.1027 9.1112 9.2791 9.2839 10.5784 10.6182 k =-0.2862 0.3742 0.4711 ( 6260 PWs) bands (ev): -5.9170 -5.9157 -5.2775 -5.2747 -4.5400 -4.5388 -4.3088 -4.2927 -2.2701 -2.2393 -2.1993 -2.1835 -2.1509 -2.1453 -2.1139 -1.9555 -1.6916 -1.6451 -1.5834 -1.5569 -1.5098 -1.4952 -1.4707 -1.4377 -1.4269 -1.3621 -1.3054 -1.2687 -0.7062 -0.6860 0.7690 0.7850 2.2700 2.2803 2.3996 2.4384 2.4804 2.4966 3.1418 3.1832 3.2954 3.3025 3.6638 3.7136 4.4966 4.5147 4.6253 4.6267 5.6088 5.6160 6.1967 6.1996 8.1371 8.1574 8.9938 9.0015 9.1154 9.1230 9.3259 9.3285 10.6614 10.7016 k =-0.2770 0.3621 0.4559 ( 6264 PWs) bands (ev): -5.9416 -5.9404 -5.2418 -5.2387 -4.5399 -4.5380 -4.3088 -4.2928 -2.2684 -2.2397 -2.1999 -2.1849 -2.1499 -2.1482 -2.1073 -1.9525 -1.6985 -1.6452 -1.5844 -1.5636 -1.5088 -1.4951 -1.4691 -1.4408 -1.4252 -1.3613 -1.3013 -1.2628 -0.7428 -0.7129 0.7729 0.7901 2.2545 2.2792 2.3916 2.4411 2.5510 2.5656 3.1180 3.1587 3.2876 3.2904 3.5898 3.6415 4.4873 4.5027 4.6389 4.6704 5.6187 5.6259 6.1855 6.1855 8.1693 8.1919 9.0062 9.0087 9.1344 9.1407 9.3759 9.3764 10.7043 10.7225 k =-0.2677 0.3500 0.4407 ( 6262 PWs) bands (ev): -5.9672 -5.9662 -5.2050 -5.2018 -4.5379 -4.5354 -4.3088 -4.2929 -2.2662 -2.2394 -2.2009 -2.1862 -2.1508 -2.1493 -2.0996 -1.9499 -1.7070 -1.6451 -1.5853 -1.5698 -1.5081 -1.4947 -1.4678 -1.4439 -1.4231 -1.3606 -1.2975 -1.2574 -0.7799 -0.7396 0.7710 0.7892 2.2356 2.2700 2.3922 2.4477 2.6326 2.6461 3.0981 3.1384 3.2741 3.2749 3.5158 3.5693 4.4649 4.4966 4.6708 4.7191 5.6209 5.6281 6.1662 6.1694 8.1995 8.2240 9.0146 9.0256 9.1603 9.1651 9.4244 9.4251 10.6777 10.6818 k =-0.2585 0.3380 0.4255 ( 6278 PWs) bands (ev): -5.9937 -5.9929 -5.1674 -5.1640 -4.5343 -4.5311 -4.3087 -4.2930 -2.2636 -2.2387 -2.2025 -2.1874 -2.1531 -2.1491 -2.0912 -1.9478 -1.7176 -1.6447 -1.5861 -1.5753 -1.5077 -1.4941 -1.4668 -1.4471 -1.4205 -1.3600 -1.2939 -1.2526 -0.8172 -0.7661 0.7643 0.7837 2.2145 2.2535 2.4026 2.4589 2.7215 2.7345 3.0826 3.1229 3.2537 3.2573 3.4423 3.4973 4.4473 4.4861 4.7139 4.7710 5.6155 5.6224 6.1425 6.1494 8.2277 8.2534 9.0293 9.0469 9.1931 9.1961 9.4693 9.4707 10.5930 10.6097 k =-0.2493 0.3259 0.4103 ( 6264 PWs) bands (ev): -6.0210 -6.0203 -5.1289 -5.1254 -4.5291 -4.5254 -4.3086 -4.2931 -2.2607 -2.2377 -2.2047 -2.1883 -2.1548 -2.1488 -2.0822 -1.9460 -1.7303 -1.6441 -1.5867 -1.5796 -1.5074 -1.4932 -1.4662 -1.4502 -1.4173 -1.3594 -1.2905 -1.2482 -0.8545 -0.7921 0.7540 0.7744 2.1924 2.2327 2.4200 2.4740 2.8148 2.8280 3.0728 3.1139 3.2296 3.2352 3.3697 3.4261 4.4338 4.4753 4.7634 4.8259 5.6024 5.6089 6.1157 6.1267 8.2543 8.2803 9.0513 9.0736 9.2325 9.2335 9.5088 9.5103 10.4885 10.5125 k =-0.2400 0.3138 0.3951 ( 6268 PWs) bands (ev): -6.0489 -6.0482 -5.0897 -5.0860 -4.5225 -4.5183 -4.3083 -4.2933 -2.2575 -2.2365 -2.2074 -2.1891 -2.1560 -2.1485 -2.0731 -1.9447 -1.7455 -1.6434 -1.5872 -1.5825 -1.5072 -1.4925 -1.4662 -1.4531 -1.4137 -1.3590 -1.2874 -1.2444 -0.8916 -0.8176 0.7409 0.7623 2.1699 2.2102 2.4419 2.4922 2.9067 2.9200 3.0739 3.1156 3.2018 3.2092 3.2989 3.3559 4.4237 4.4651 4.8170 4.8836 5.5819 5.5877 6.0870 6.1027 8.2798 8.3054 9.0802 9.1051 9.2769 9.2782 9.5406 9.5416 10.3746 10.4033 k =-0.2308 0.3018 0.3799 ( 6264 PWs) bands (ev): -6.0771 -6.0766 -5.0498 -5.0460 -4.5146 -4.5100 -4.3080 -4.2934 -2.2542 -2.2358 -2.2103 -2.1898 -2.1567 -2.1478 -2.0640 -1.9438 -1.7628 -1.6426 -1.5877 -1.5841 -1.5071 -1.4917 -1.4668 -1.4558 -1.4096 -1.3587 -1.2845 -1.2412 -0.9282 -0.8425 0.7259 0.7483 2.1477 2.1875 2.4667 2.5128 2.9820 2.9871 3.1075 3.1413 3.1699 3.1801 3.2317 3.2877 4.4162 4.4557 4.8738 4.9438 5.5544 5.5594 6.0577 6.0786 8.3050 8.3295 9.1141 9.1398 9.3255 9.3292 9.5620 9.5624 10.2583 10.2897 k =-0.2216 0.2897 0.3647 ( 6270 PWs) bands (ev): -6.1054 -6.1051 -5.0094 -5.0054 -4.5056 -4.5006 -4.3077 -4.2935 -2.2507 -2.2362 -2.2126 -2.1903 -2.1569 -2.1468 -2.0552 -1.9433 -1.7823 -1.6417 -1.5881 -1.5844 -1.5071 -1.4911 -1.4680 -1.4581 -1.4052 -1.3584 -1.2820 -1.2385 -0.9639 -0.8667 0.7098 0.7330 2.1264 2.1652 2.4933 2.5349 3.0078 3.0205 3.1287 3.1440 3.1740 3.1947 3.2065 3.2301 4.4102 4.4465 4.9331 5.0065 5.5205 5.5244 6.0291 6.0560 8.3306 8.3536 9.1504 9.1750 9.3781 9.3847 9.5701 9.5702 10.1459 10.1779 k =-0.2123 0.2776 0.3495 ( 6276 PWs) bands (ev): -6.1338 -6.1336 -4.9686 -4.9644 -4.4957 -4.4904 -4.3072 -4.2936 -2.2472 -2.2385 -2.2133 -2.1906 -2.1568 -2.1456 -2.0468 -1.9433 -1.8036 -1.6410 -1.5885 -1.5834 -1.5072 -1.4908 -1.4696 -1.4599 -1.4007 -1.3582 -1.2797 -1.2365 -0.9984 -0.8903 0.6930 0.7171 2.1061 2.1440 2.5210 2.5581 3.0060 3.0326 3.0779 3.1061 3.1336 3.1616 3.3036 3.3171 4.4052 4.4370 4.9944 5.0713 5.4808 5.4836 6.0026 6.0360 8.3574 8.3784 9.1850 9.2066 9.4334 9.4434 9.5615 9.5619 10.0457 10.0747 k =-0.2031 0.2655 0.3343 ( 6258 PWs) bands (ev): -6.1621 -6.1619 -4.9274 -4.9231 -4.4849 -4.4794 -4.3067 -4.2938 -2.2436 -2.2432 -2.2121 -2.1906 -2.1562 -2.1438 -2.0389 -1.9436 -1.8263 -1.6404 -1.5888 -1.5813 -1.5072 -1.4909 -1.4716 -1.4608 -1.3960 -1.3579 -1.2776 -1.2350 -1.0315 -0.9131 0.6762 0.7011 2.0873 2.1241 2.5490 2.5817 2.9797 3.0255 3.0377 3.0676 3.1055 3.1156 3.4212 3.4312 4.4005 4.4270 5.0572 5.1381 5.4363 5.4380 5.9792 6.0198 8.3855 8.4046 9.2121 9.2286 9.4849 9.5030 9.5355 9.5362 9.9679 9.9886 k =-0.1939 0.2535 0.3191 ( 6260 PWs) bands (ev): -6.1900 -6.1899 -4.8861 -4.8816 -4.4735 -4.4680 -4.3062 -4.2940 -2.2499 -2.2403 -2.2096 -2.1906 -2.1556 -2.1417 -2.0320 -1.9443 -1.8500 -1.6403 -1.5891 -1.5782 -1.5073 -1.4917 -1.4739 -1.4610 -1.3915 -1.3577 -1.2758 -1.2341 -1.0627 -0.9353 0.6597 0.6854 2.0700 2.1058 2.5766 2.6051 2.9254 2.9827 3.0155 3.0444 3.0897 3.0901 3.5431 3.5517 4.3956 4.4160 5.1210 5.2067 5.3878 5.3886 5.9598 6.0083 8.4150 8.4319 9.2240 9.2331 9.4659 9.4850 9.5588 9.5666 9.9209 9.9282 k =-0.1846 0.2414 0.3039 ( 6258 PWs) bands (ev): -6.2175 -6.2174 -4.8446 -4.8400 -4.4616 -4.4561 -4.3056 -4.2941 -2.2578 -2.2371 -2.2063 -2.1904 -2.1548 -2.1391 -2.0261 -1.9453 -1.8741 -1.6411 -1.5895 -1.5744 -1.5073 -1.4930 -1.4763 -1.4602 -1.3871 -1.3573 -1.2743 -1.2337 -1.0919 -0.9567 0.6439 0.6704 2.0546 2.0893 2.6029 2.6275 2.8639 2.9246 2.9913 3.0152 3.0875 3.0880 3.6678 3.6760 4.3903 4.4042 5.1842 5.2767 5.3364 5.3378 5.9451 6.0023 8.4452 8.4601 9.2101 9.2109 9.4001 9.4229 9.6132 9.6248 9.8982 9.9060 k =-0.1754 0.2293 0.2887 ( 6264 PWs) bands (ev): -6.2444 -6.2443 -4.8033 -4.7985 -4.4493 -4.4439 -4.3049 -4.2943 -2.2668 -2.2342 -2.2023 -2.1902 -2.1540 -2.1361 -2.0221 -1.9468 -1.8977 -1.6431 -1.5897 -1.5698 -1.5072 -1.4950 -1.4785 -1.4586 -1.3831 -1.3569 -1.2730 -1.2339 -1.1186 -0.9775 0.6291 0.6563 2.0411 2.0748 2.6270 2.6482 2.8019 2.8643 2.9633 2.9813 3.0951 3.0958 3.7944 3.8026 4.3848 4.3919 5.2359 5.2830 5.2974 5.3483 5.9356 6.0020 8.4750 8.4877 9.1528 9.1651 9.3325 9.3567 9.6639 9.6752 9.8970 9.9160 k =-0.1662 0.2173 0.2735 ( 6264 PWs) bands (ev): -6.2705 -6.2705 -4.7621 -4.7573 -4.4367 -4.4317 -4.3041 -4.2945 -2.2766 -2.2316 -2.1981 -2.1900 -2.1531 -2.1329 -2.0204 -1.9485 -1.9197 -1.6467 -1.5896 -1.5648 -1.5071 -1.4973 -1.4803 -1.4563 -1.3795 -1.3563 -1.2720 -1.2345 -1.1426 -0.9976 0.6154 0.6433 2.0297 2.0622 2.6478 2.6662 2.7412 2.8046 2.9344 2.9469 3.1075 3.1083 3.9220 3.9304 4.3795 4.3795 5.2134 5.2292 5.3308 5.4206 5.9315 6.0078 8.5020 8.5127 9.0681 9.0900 9.2680 9.2921 9.6952 9.7014 9.8609 9.9169 k =-0.1569 0.2052 0.2583 ( 6262 PWs) bands (ev): -6.2959 -6.2958 -4.7213 -4.7164 -4.4241 -4.4195 -4.3033 -4.2947 -2.2871 -2.2295 -2.1937 -2.1900 -2.1523 -2.1296 -2.0225 -1.9505 -1.9381 -1.6523 -1.5891 -1.5594 -1.5068 -1.4998 -1.4815 -1.4534 -1.3762 -1.3553 -1.2714 -1.2355 -1.1638 -1.0172 0.6032 0.6317 2.0204 2.0518 2.6609 2.6794 2.6855 2.7481 2.9065 2.9132 3.1234 3.1235 4.0496 4.0584 4.3678 4.3748 5.1624 5.1760 5.3937 5.4937 5.9327 6.0194 8.5218 8.5309 8.9715 8.9988 9.2030 9.2276 9.6456 9.6590 9.8164 9.8815 k =-0.1477 0.1931 0.2431 ( 6270 PWs) bands (ev): -6.3203 -6.3202 -4.6810 -4.6761 -4.4115 -4.4074 -4.3024 -4.2950 -2.2981 -2.2281 -2.1904 -2.1892 -2.1515 -2.1266 -2.0291 -1.9528 -1.9512 -1.6604 -1.5881 -1.5538 -1.5065 -1.5026 -1.4818 -1.4502 -1.3734 -1.3541 -1.2711 -1.2371 -1.1819 -1.0362 0.5925 0.6215 2.0133 2.0435 2.6208 2.6710 2.6797 2.7111 2.8805 2.8808 3.1406 3.1418 4.1760 4.1849 4.3576 4.3718 5.1112 5.1253 5.4589 5.5671 5.9390 6.0366 8.5268 8.5357 8.8753 8.9035 9.1387 9.1648 9.5256 9.5514 9.8345 9.8887 k =-0.1385 0.1811 0.2279 ( 6274 PWs) bands (ev): -6.3436 -6.3435 -4.6415 -4.6366 -4.3991 -4.3957 -4.3014 -4.2952 -2.3095 -2.2276 -2.1912 -2.1847 -2.1509 -2.1244 -2.0394 -1.9585 -1.9554 -1.6708 -1.5866 -1.5481 -1.5061 -1.5055 -1.4810 -1.4467 -1.3710 -1.3525 -1.2715 -1.2389 -1.1969 -1.0547 0.5834 0.6128 2.0085 2.0374 2.5660 2.6236 2.6843 2.7107 2.8492 2.8581 3.1592 3.1619 4.2982 4.3045 4.3504 4.3745 5.0648 5.0794 5.5239 5.6404 5.9501 6.0590 8.5067 8.5183 8.7861 8.8104 9.0835 9.1117 9.3948 9.4254 9.8546 9.9035 k =-0.1293 0.1690 0.2127 ( 6273 PWs) bands (ev): -6.3658 -6.3657 -4.6029 -4.5980 -4.3869 -4.3844 -4.3003 -4.2955 -2.3213 -2.2287 -2.1926 -2.1801 -2.1504 -2.1240 -2.0498 -1.9618 -1.9582 -1.6834 -1.5845 -1.5425 -1.5083 -1.5056 -1.4792 -1.4431 -1.3690 -1.3504 -1.2726 -1.2411 -1.2088 -1.0728 0.5760 0.6056 2.0060 2.0335 2.5129 2.5709 2.6826 2.7131 2.8198 2.8390 3.1788 3.1833 4.3432 4.3601 4.4162 4.4370 5.0278 5.0425 5.5881 5.7131 5.9654 6.0859 8.4555 8.4727 8.7015 8.7190 9.0496 9.0788 9.2646 9.2970 9.8642 9.9079 k =-0.1200 0.1569 0.1976 ( 6281 PWs) bands (ev): -6.3868 -6.3867 -4.5653 -4.5606 -4.3750 -4.3736 -4.2991 -4.2958 -2.3333 -2.2325 -2.1941 -2.1758 -2.1500 -2.1262 -2.0568 -1.9630 -1.9612 -1.6979 -1.5821 -1.5372 -1.5111 -1.5052 -1.4763 -1.4395 -1.3673 -1.3478 -1.2744 -1.2436 -1.2177 -1.0904 0.5703 0.5999 2.0057 2.0318 2.4621 2.5191 2.6744 2.7113 2.7926 2.8230 3.1990 3.2055 4.3423 4.3668 4.5165 4.5373 5.0086 5.0221 5.6509 5.7845 5.9847 6.1167 8.3804 8.4033 8.6107 8.6225 9.0430 9.0714 9.1379 9.1706 9.8605 9.8976 k =-0.1108 0.1448 0.1824 ( 6293 PWs) bands (ev): -6.4064 -6.4063 -4.5292 -4.5246 -4.3636 -4.3635 -4.2978 -4.2962 -2.3454 -2.2404 -2.1953 -2.1716 -2.1498 -2.1302 -2.0588 -1.9643 -1.9631 -1.7138 -1.5795 -1.5322 -1.5139 -1.5046 -1.4724 -1.4361 -1.3657 -1.3445 -1.2769 -1.2464 -1.2242 -1.1075 0.5662 0.5957 2.0078 2.0323 2.4140 2.4692 2.6609 2.7042 2.7684 2.8089 3.2195 3.2278 4.3450 4.3734 4.5894 4.6140 5.0204 5.0313 5.7118 5.8536 6.0078 6.1506 8.2937 8.3204 8.5078 8.5164 9.0148 9.0472 9.0607 9.0870 9.8440 9.8729 k =-0.1016 0.1328 0.1672 ( 6291 PWs) bands (ev): -6.4248 -6.4247 -4.4946 -4.4902 -4.3541 -4.3526 -4.2965 -4.2963 -2.3573 -2.2528 -2.1954 -2.1677 -2.1496 -2.1344 -2.0567 -1.9675 -1.9627 -1.7307 -1.5767 -1.5278 -1.5162 -1.5040 -1.4678 -1.4329 -1.3642 -1.3406 -1.2798 -1.2493 -1.2285 -1.1243 0.5637 0.5928 2.0120 2.0349 2.3688 2.4216 2.6438 2.6915 2.7476 2.7951 3.2399 3.2499 4.3516 4.3825 4.6241 4.6527 5.0736 5.0823 5.7705 5.9186 6.0353 6.1867 8.2040 8.2327 8.3941 8.4013 8.8989 8.9305 9.0920 9.1159 9.8165 9.8369 k =-0.0923 0.1207 0.1520 ( 6295 PWs) bands (ev): -6.4417 -6.4416 -4.4618 -4.4576 -4.3455 -4.3423 -4.2969 -4.2947 -2.3689 -2.2689 -2.1946 -2.1643 -2.1494 -2.1377 -2.0520 -1.9708 -1.9620 -1.7482 -1.5737 -1.5249 -1.5175 -1.5033 -1.4626 -1.4302 -1.3625 -1.3362 -1.2828 -1.2523 -1.2315 -1.1406 0.5627 0.5910 2.0183 2.0394 2.3268 2.3765 2.6247 2.6738 2.7297 2.7805 3.2598 3.2713 4.3620 4.3941 4.6269 4.6577 5.1621 5.1700 5.8267 5.9764 6.0691 6.2242 8.1161 8.1452 8.2731 8.2795 8.7892 8.8194 9.1320 9.1538 9.7808 9.7932 k =-0.0831 0.1086 0.1368 ( 6295 PWs) bands (ev): -6.4571 -6.4570 -4.4310 -4.4272 -4.3379 -4.3326 -4.2973 -4.2929 -2.3801 -2.2874 -2.1931 -2.1614 -2.1491 -2.1397 -2.0458 -1.9741 -1.9610 -1.7660 -1.5707 -1.5249 -1.5161 -1.5026 -1.4571 -1.4278 -1.3604 -1.3312 -1.2856 -1.2555 -1.2337 -1.1565 0.5631 0.5903 2.0266 2.0456 2.2881 2.3342 2.6048 2.6530 2.7137 2.7647 3.2788 3.2916 4.3757 4.4080 4.6129 4.6443 5.2705 5.2789 5.8803 6.0231 6.1119 6.2622 8.0324 8.0611 8.1472 8.1533 8.6867 8.7153 9.1764 9.1961 9.7397 9.7453 k =-0.0739 0.0966 0.1216 ( 6285 PWs) bands (ev): -6.4711 -6.4710 -4.4026 -4.3992 -4.3313 -4.3236 -4.2976 -4.2909 -2.3905 -2.3069 -2.1910 -2.1595 -2.1483 -2.1408 -2.0388 -1.9773 -1.9596 -1.7839 -1.5677 -1.5268 -1.5132 -1.5018 -1.4514 -1.4259 -1.3578 -1.3259 -1.2879 -1.2587 -1.2353 -1.1719 0.5646 0.5903 2.0366 2.0534 2.2532 2.2949 2.5847 2.6306 2.6987 2.7479 3.2967 3.3102 4.3920 4.4234 4.5926 4.6235 5.3877 5.3971 5.9313 6.0591 6.1623 6.2994 7.9547 7.9819 8.0189 8.0248 8.5925 8.6190 9.2221 9.2398 9.6958 9.6961 k =-0.0646 0.0845 0.1064 ( 6285 PWs) bands (ev): -6.4834 -6.4834 -4.3767 -4.3739 -4.3256 -4.3155 -4.2980 -4.2887 -2.3999 -2.3265 -2.1886 -2.1587 -2.1471 -2.1411 -2.0316 -1.9804 -1.9577 -1.8015 -1.5648 -1.5291 -1.5103 -1.5011 -1.4459 -1.4244 -1.3544 -1.3205 -1.2899 -1.2620 -1.2368 -1.1867 0.5671 0.5908 2.0480 2.0622 2.2223 2.2588 2.5650 2.6074 2.6848 2.7304 3.3132 3.3270 4.4100 4.4395 4.5712 4.6010 5.5072 5.5180 5.9800 6.0884 6.2151 6.3349 7.8835 7.8905 7.8945 7.9106 8.5072 8.5313 9.2672 9.2827 9.6481 9.6513 k =-0.0554 0.0724 0.0912 ( 6283 PWs) bands (ev): -6.4942 -6.4942 -4.3538 -4.3517 -4.3209 -4.3082 -4.2980 -4.2865 -2.4081 -2.3452 -2.1860 -2.1589 -2.1455 -2.1410 -2.0245 -1.9834 -1.9550 -1.8187 -1.5619 -1.5315 -1.5076 -1.5003 -1.4407 -1.4232 -1.3502 -1.3152 -1.2914 -1.2654 -1.2383 -1.2008 0.5702 0.5917 2.0605 2.0717 2.1957 2.2262 2.5461 2.5841 2.6723 2.7130 3.3281 3.3415 4.4288 4.4556 4.5515 4.5793 5.6242 5.6371 6.0268 6.1145 6.2665 6.3677 7.7623 7.7674 7.8217 7.8448 8.4316 8.4530 9.3099 9.3227 9.6034 9.6084 k =-0.0462 0.0604 0.0760 ( 6287 PWs) bands (ev): -6.5034 -6.5034 -4.3341 -4.3329 -4.3170 -4.3027 -4.2969 -4.2842 -2.4148 -2.3626 -2.1833 -2.1598 -2.1438 -2.1407 -2.0180 -1.9863 -1.9510 -1.8355 -1.5592 -1.5340 -1.5053 -1.4997 -1.4362 -1.4225 -1.3449 -1.3103 -1.2924 -1.2688 -1.2399 -1.2140 0.5739 0.5926 2.0736 2.0811 2.1738 2.1974 2.5285 2.5614 2.6616 2.6965 3.3411 3.3536 4.4472 4.4707 4.5347 4.5596 5.7342 5.7497 6.0731 6.1395 6.3143 6.3967 7.6384 7.6434 7.7679 7.7879 8.3665 8.3849 9.3486 9.3582 9.5642 9.5689 k =-0.0369 0.0483 0.0608 ( 6285 PWs) bands (ev): -6.5110 -6.5109 -4.3183 -4.3183 -4.3132 -4.3005 -4.2926 -4.2821 -2.4198 -2.3782 -2.1805 -2.1611 -2.1422 -2.1402 -2.0124 -1.9889 -1.9456 -1.8516 -1.5565 -1.5365 -1.5032 -1.4991 -1.4323 -1.4220 -1.3385 -1.3060 -1.2929 -1.2726 -1.2417 -1.2257 0.5777 0.5932 2.0865 2.0895 2.1570 2.1727 2.5129 2.5401 2.6530 2.6814 3.3523 3.3632 4.4644 4.4839 4.5215 4.5426 5.8317 5.8503 6.1207 6.1656 6.3573 6.4210 7.5215 7.5261 7.7234 7.7400 8.3125 8.3277 9.3815 9.3870 9.5324 9.5351 k =-0.0277 0.0362 0.0456 ( 6291 PWs) bands (ev): -6.5169 -6.5168 -4.3121 -4.3091 -4.3044 -4.2987 -4.2869 -4.2800 -2.4229 -2.3918 -2.1777 -2.1629 -2.1409 -2.1397 -2.0077 -1.9915 -1.9385 -1.8670 -1.5538 -1.5389 -1.5016 -1.4987 -1.4291 -1.4219 -1.3311 -1.3029 -1.2931 -1.2772 -1.2435 -1.2353 0.5815 0.5935 2.0960 2.0984 2.1456 2.1525 2.5000 2.5209 2.6469 2.6683 3.3614 3.3701 4.4794 4.4944 4.5120 4.5287 5.9105 5.9312 6.1703 6.1955 6.3944 6.4401 7.4162 7.4202 7.6889 7.7017 8.2704 8.2820 9.4062 9.4068 9.5094 9.5102 k =-0.0185 0.0241 0.0304 ( 6283 PWs) bands (ev): -6.5211 -6.5210 -4.3098 -4.3061 -4.2962 -4.2952 -4.2815 -4.2779 -2.4237 -2.4031 -2.1749 -2.1649 -2.1400 -2.1393 -2.0039 -1.9938 -1.9298 -1.8815 -1.5512 -1.5414 -1.5003 -1.4985 -1.4266 -1.4220 -1.3229 -1.3011 -1.2929 -1.2825 -1.2451 -1.2419 0.5850 0.5932 2.1005 2.1078 2.1376 2.1389 2.4908 2.5051 2.6435 2.6578 3.3685 3.3746 4.4913 4.5014 4.5064 4.5180 5.9668 5.9854 6.2186 6.2290 6.4247 6.4534 7.3294 7.3325 7.6646 7.6733 8.2405 8.2483 9.4167 9.4199 9.4949 9.4988 k =-0.0092 0.0121 0.0152 ( 6297 PWs) bands (ev): -6.5236 -6.5236 -4.3081 -4.3061 -4.2921 -4.2919 -4.2776 -4.2763 -2.4223 -2.4120 -2.1722 -2.1672 -2.1394 -2.1391 -2.0010 -1.9961 -1.9196 -1.8953 -1.5488 -1.5438 -1.4994 -1.4985 -1.4248 -1.4225 -1.3145 -1.3021 -1.2924 -1.2878 -1.2464 -1.2457 0.5881 0.5922 2.1039 2.1112 2.1307 2.1350 2.4863 2.4936 2.6428 2.6499 3.3734 3.3766 4.4988 4.5038 4.5054 4.5113 6.0013 6.0122 6.2553 6.2580 6.4468 6.4602 7.2709 7.2726 7.6508 7.6552 8.2232 8.2272 9.4197 9.4228 9.4915 9.4948 k = 0.0000 0.0000 0.0000 ( 6297 PWs) bands (ev): -6.5244 -6.5244 -4.3069 -4.3069 -4.2908 -4.2908 -4.2759 -4.2759 -2.4183 -2.4183 -2.1696 -2.1696 -2.1391 -2.1391 -1.9984 -1.9984 -1.9080 -1.9080 -1.5463 -1.5463 -1.4988 -1.4988 -1.4234 -1.4234 -1.3069 -1.3069 -1.2911 -1.2911 -1.2468 -1.2468 0.5905 0.5905 2.1079 2.1079 2.1319 2.1319 2.4872 2.4872 2.6449 2.6449 3.3761 3.3761 4.5020 4.5020 4.5080 4.5080 6.0164 6.0164 6.2694 6.2694 6.4587 6.4587 7.2504 7.2504 7.6476 7.6476 8.2187 8.2187 9.4212 9.4212 9.4930 9.4930 k = 0.0000 0.0000 0.0000 ( 6297 PWs) bands (ev): -6.5244 -6.5244 -4.3069 -4.3069 -4.2908 -4.2908 -4.2759 -4.2759 -2.4183 -2.4183 -2.1696 -2.1696 -2.1391 -2.1391 -1.9984 -1.9984 -1.9080 -1.9080 -1.5463 -1.5463 -1.4988 -1.4988 -1.4234 -1.4234 -1.3069 -1.3069 -1.2911 -1.2911 -1.2468 -1.2468 0.5905 0.5905 2.1079 2.1079 2.1319 2.1319 2.4872 2.4872 2.6449 2.6449 3.3761 3.3761 4.5020 4.5020 4.5080 4.5080 6.0164 6.0164 6.2694 6.2694 6.4587 6.4587 7.2504 7.2504 7.6476 7.6476 8.2187 8.2187 9.4212 9.4212 9.4930 9.4930 k = 0.0172 0.0132 0.0000 ( 6293 PWs) bands (ev): -6.5234 -6.5234 -4.3102 -4.3102 -4.2909 -4.2909 -4.2762 -4.2762 -2.4170 -2.4170 -2.1694 -2.1694 -2.1389 -2.1389 -1.9983 -1.9983 -1.9069 -1.9069 -1.5459 -1.5459 -1.4988 -1.4988 -1.4235 -1.4235 -1.3071 -1.3071 -1.2909 -1.2909 -1.2467 -1.2467 0.5886 0.5886 2.1092 2.1092 2.1334 2.1334 2.4900 2.4900 2.6415 2.6415 3.3813 3.3813 4.5034 4.5034 4.5095 4.5095 6.0114 6.0114 6.2652 6.2652 6.4345 6.4345 7.2771 7.2771 7.6500 7.6500 8.2209 8.2209 9.4243 9.4243 9.4951 9.4951 k = 0.0345 0.0264 0.0000 ( 6285 PWs) bands (ev): -6.5204 -6.5204 -4.3204 -4.3204 -4.2909 -4.2909 -4.2768 -4.2768 -2.4129 -2.4129 -2.1689 -2.1689 -2.1385 -2.1385 -1.9979 -1.9979 -1.9037 -1.9037 -1.5448 -1.5448 -1.4986 -1.4986 -1.4235 -1.4235 -1.3079 -1.3079 -1.2903 -1.2903 -1.2462 -1.2462 0.5828 0.5828 2.1132 2.1132 2.1378 2.1378 2.4983 2.4983 2.6317 2.6317 3.3965 3.3965 4.5074 4.5074 4.5137 4.5137 5.9960 5.9960 6.2525 6.2525 6.3704 6.3704 7.3487 7.3487 7.6569 7.6569 8.2272 8.2272 9.4335 9.4335 9.5011 9.5011 k = 0.0517 0.0396 0.0000 ( 6285 PWs) bands (ev): -6.5153 -6.5153 -4.3375 -4.3375 -4.2911 -4.2911 -4.2775 -4.2775 -2.4065 -2.4065 -2.1681 -2.1681 -2.1378 -2.1378 -1.9974 -1.9974 -1.8984 -1.8984 -1.5431 -1.5431 -1.4984 -1.4984 -1.4236 -1.4236 -1.3091 -1.3091 -1.2896 -1.2896 -1.2451 -1.2451 0.5734 0.5734 2.1197 2.1197 2.1450 2.1450 2.5117 2.5117 2.6168 2.6168 3.4208 3.4208 4.5141 4.5141 4.5207 4.5207 5.9694 5.9694 6.2317 6.2317 6.2832 6.2832 7.4497 7.4497 7.6685 7.6685 8.2378 8.2378 9.4477 9.4477 9.5103 9.5103 k = 0.0690 0.0528 0.0000 ( 6297 PWs) bands (ev): -6.5082 -6.5082 -4.3613 -4.3613 -4.2913 -4.2913 -4.2782 -4.2782 -2.3981 -2.3981 -2.1671 -2.1671 -2.1370 -2.1370 -1.9969 -1.9969 -1.8907 -1.8907 -1.5408 -1.5408 -1.4981 -1.4981 -1.4238 -1.4238 -1.3108 -1.3108 -1.2890 -1.2890 -1.2432 -1.2432 0.5605 0.5605 2.1288 2.1288 2.1550 2.1550 2.5291 2.5291 2.5989 2.5989 3.4527 3.4527 4.5234 4.5234 4.5304 4.5304 5.9292 5.9292 6.1871 6.1871 6.2042 6.2042 7.5681 7.5681 7.6847 7.6847 8.2527 8.2527 9.4654 9.4654 9.5212 9.5212 k = 0.0862 0.0659 0.0000 ( 6297 PWs) bands (ev): -6.4991 -6.4991 -4.3911 -4.3911 -4.2915 -4.2915 -4.2788 -4.2788 -2.3883 -2.3883 -2.1659 -2.1659 -2.1359 -2.1359 -1.9966 -1.9966 -1.8807 -1.8807 -1.5379 -1.5379 -1.4974 -1.4974 -1.4241 -1.4241 -1.3128 -1.3128 -1.2888 -1.2888 -1.2396 -1.2396 0.5443 0.5443 2.1404 2.1404 2.1678 2.1678 2.5445 2.5445 2.5849 2.5849 3.4907 3.4907 4.5350 4.5350 4.5426 4.5426 5.8713 5.8713 6.0956 6.0956 6.1689 6.1689 7.6966 7.6966 7.7054 7.7054 8.2718 8.2718 9.4843 9.4843 9.5318 9.5318 k = 0.1034 0.0791 0.0000 ( 6309 PWs) bands (ev): -6.4880 -6.4880 -4.4265 -4.4265 -4.2918 -4.2918 -4.2794 -4.2794 -2.3777 -2.3777 -2.1647 -2.1647 -2.1347 -2.1347 -1.9965 -1.9965 -1.8684 -1.8684 -1.5349 -1.5349 -1.4963 -1.4963 -1.4245 -1.4245 -1.3151 -1.3151 -1.2893 -1.2893 -1.2337 -1.2337 0.5251 0.5251 2.1545 2.1545 2.1832 2.1832 2.5379 2.5379 2.5959 2.5959 3.5337 3.5337 4.5487 4.5487 4.5571 4.5571 5.7923 5.7923 6.0157 6.0157 6.1281 6.1281 7.7304 7.7304 7.8310 7.8310 8.2953 8.2953 9.5001 9.5001 9.5386 9.5386 k = 0.1207 0.0923 0.0000 ( 6289 PWs) bands (ev): -6.4749 -6.4749 -4.4666 -4.4666 -4.2921 -4.2921 -4.2801 -4.2801 -2.3667 -2.3667 -2.1634 -2.1634 -2.1332 -2.1332 -1.9967 -1.9967 -1.8540 -1.8540 -1.5318 -1.5318 -1.4945 -1.4945 -1.4250 -1.4250 -1.3175 -1.3175 -1.2906 -1.2906 -1.2249 -1.2249 0.5033 0.5033 2.1709 2.1709 2.2012 2.2012 2.5170 2.5170 2.6248 2.6248 3.5802 3.5802 4.5643 4.5643 4.5736 4.5736 5.6950 5.6950 5.9484 5.9484 6.0827 6.0827 7.7598 7.7598 7.9686 7.9686 8.3232 8.3232 9.4801 9.4801 9.5249 9.5249 k = 0.1379 0.1055 0.0000 ( 6289 PWs) bands (ev): -6.4598 -6.4598 -4.5110 -4.5110 -4.2924 -4.2924 -4.2807 -4.2807 -2.3557 -2.3557 -2.1623 -2.1623 -2.1317 -2.1317 -1.9973 -1.9973 -1.8381 -1.8381 -1.5292 -1.5292 -1.4920 -1.4920 -1.4256 -1.4256 -1.3203 -1.3203 -1.2930 -1.2930 -1.2127 -1.2127 0.4791 0.4791 2.1895 2.1895 2.2216 2.2216 2.4942 2.4942 2.6595 2.6595 3.6294 3.6294 4.5814 4.5814 4.5918 4.5918 5.5865 5.5865 5.8890 5.8890 6.0335 6.0335 7.7933 7.7933 8.1078 8.1078 8.3556 8.3556 9.3915 9.3915 9.5224 9.5224 k = 0.1552 0.1187 0.0000 ( 6274 PWs) bands (ev): -6.4427 -6.4427 -4.5591 -4.5591 -4.2928 -4.2928 -4.2815 -4.2815 -2.3450 -2.3450 -2.1613 -2.1613 -2.1300 -2.1300 -1.9982 -1.9982 -1.8211 -1.8211 -1.5271 -1.5271 -1.4886 -1.4886 -1.4264 -1.4264 -1.3232 -1.3232 -1.2961 -1.2961 -1.1965 -1.1965 0.4528 0.4528 2.2101 2.2101 2.2442 2.2442 2.4723 2.4723 2.6974 2.6974 3.6803 3.6803 4.5994 4.5994 4.6112 4.6112 5.4731 5.4731 5.8334 5.8334 5.9817 5.9817 7.8309 7.8309 8.2470 8.2470 8.3924 8.3924 9.2979 9.2979 9.5091 9.5091 k = 0.1724 0.1319 0.0000 ( 6278 PWs) bands (ev): -6.4236 -6.4236 -4.6102 -4.6102 -4.2932 -4.2932 -4.2823 -4.2823 -2.3349 -2.3349 -2.1606 -2.1606 -2.1283 -2.1283 -1.9995 -1.9995 -1.8036 -1.8036 -1.5258 -1.5258 -1.4846 -1.4846 -1.4274 -1.4274 -1.3264 -1.3264 -1.3001 -1.3001 -1.1760 -1.1760 0.4248 0.4248 2.2323 2.2323 2.2691 2.2691 2.4527 2.4527 2.7375 2.7375 3.7323 3.7323 4.6179 4.6179 4.6312 4.6312 5.3585 5.3585 5.7801 5.7801 5.9286 5.9286 7.8724 7.8724 8.3848 8.3848 8.4338 8.4338 9.2057 9.2057 9.4775 9.4775 k = 0.1897 0.1451 0.0000 ( 6294 PWs) bands (ev): -6.4026 -6.4026 -4.6639 -4.6639 -4.2936 -4.2936 -4.2831 -4.2831 -2.3254 -2.3254 -2.1603 -2.1603 -2.1265 -2.1265 -2.0012 -2.0012 -1.7862 -1.7862 -1.5252 -1.5252 -1.4803 -1.4803 -1.4286 -1.4286 -1.3298 -1.3298 -1.3046 -1.3046 -1.1509 -1.1509 0.3952 0.3952 2.2557 2.2557 2.2959 2.2959 2.4363 2.4363 2.7787 2.7787 3.7847 3.7847 4.6360 4.6360 4.6511 4.6511 5.2452 5.2452 5.7287 5.7287 5.8754 5.8754 7.9175 7.9175 8.4796 8.4796 8.5195 8.5195 9.1169 9.1169 9.4292 9.4292 k = 0.2069 0.1583 0.0000 ( 6290 PWs) bands (ev): -6.3796 -6.3796 -4.7197 -4.7197 -4.2940 -4.2940 -4.2839 -4.2839 -2.3164 -2.3164 -2.1602 -2.1602 -2.1246 -2.1246 -2.0032 -2.0032 -1.7692 -1.7692 -1.5252 -1.5252 -1.4758 -1.4758 -1.4299 -1.4299 -1.3332 -1.3332 -1.3096 -1.3096 -1.1210 -1.1210 0.3642 0.3642 2.2793 2.2793 2.3244 2.3244 2.4244 2.4244 2.8203 2.8203 3.8369 3.8369 4.6530 4.6530 4.6699 4.6699 5.1346 5.1346 5.6800 5.6800 5.8235 5.8235 7.9660 7.9660 8.5300 8.5300 8.6473 8.6473 9.0347 9.0347 9.3665 9.3665 k = 0.2241 0.1714 0.0000 ( 6278 PWs) bands (ev): -6.3547 -6.3547 -4.7772 -4.7772 -4.2944 -4.2944 -4.2848 -4.2848 -2.3081 -2.3081 -2.1604 -2.1604 -2.1224 -2.1224 -2.0056 -2.0056 -1.7530 -1.7530 -1.5257 -1.5257 -1.4715 -1.4715 -1.4314 -1.4314 -1.3368 -1.3368 -1.3149 -1.3149 -1.0865 -1.0865 0.3322 0.3322 2.3016 2.3016 2.3544 2.3544 2.4188 2.4188 2.8610 2.8610 3.8884 3.8884 4.6677 4.6677 4.6866 4.6866 5.0283 5.0283 5.6350 5.6350 5.7743 5.7743 8.0178 8.0178 8.5849 8.5849 8.7550 8.7550 8.9719 8.9719 9.2921 9.2921 k = 0.2414 0.1846 0.0000 ( 6282 PWs) bands (ev): -6.3279 -6.3279 -4.8360 -4.8360 -4.2949 -4.2949 -4.2857 -4.2857 -2.3002 -2.3002 -2.1612 -2.1612 -2.1202 -2.1202 -2.0081 -2.0081 -1.7379 -1.7379 -1.5267 -1.5267 -1.4678 -1.4678 -1.4330 -1.4330 -1.3405 -1.3405 -1.3205 -1.3205 -1.0477 -1.0477 0.2991 0.2991 2.3203 2.3203 2.3853 2.3853 2.4223 2.4223 2.9000 2.9000 3.9389 3.9389 4.6786 4.6786 4.6997 4.6997 4.9278 4.9278 5.5951 5.5951 5.7293 5.7293 8.0724 8.0724 8.6441 8.6441 8.7875 8.7875 8.9815 8.9815 9.2100 9.2100 k = 0.2586 0.1978 0.0000 ( 6274 PWs) bands (ev): -6.2992 -6.2992 -4.8957 -4.8957 -4.2953 -4.2953 -4.2866 -4.2866 -2.2927 -2.2927 -2.1623 -2.1623 -2.1177 -2.1177 -2.0108 -2.0108 -1.7238 -1.7238 -1.5281 -1.5281 -1.4647 -1.4647 -1.4344 -1.4344 -1.3442 -1.3442 -1.3262 -1.3262 -1.0050 -1.0050 0.2652 0.2652 2.3338 2.3338 2.4164 2.4164 2.4371 2.4371 2.9361 2.9361 3.9877 3.9877 4.6835 4.6835 4.7073 4.7073 4.8360 4.8360 5.5617 5.5617 5.6898 5.6898 8.1296 8.1296 8.7060 8.7060 8.7402 8.7402 9.0541 9.0541 9.1352 9.1352 k = 0.2759 0.2110 0.0000 ( 6274 PWs) bands (ev): -6.2686 -6.2686 -4.9562 -4.9562 -4.2957 -4.2957 -4.2876 -4.2876 -2.2857 -2.2857 -2.1639 -2.1639 -2.1150 -2.1150 -2.0138 -2.0138 -1.7108 -1.7108 -1.5299 -1.5299 -1.4622 -1.4622 -1.4357 -1.4357 -1.3480 -1.3480 -1.3320 -1.3320 -0.9590 -0.9590 0.2305 0.2305 2.3434 2.3434 2.4469 2.4469 2.4624 2.4624 2.9679 2.9679 4.0347 4.0347 4.6748 4.6748 4.7062 4.7062 4.7624 4.7624 5.5363 5.5363 5.6573 5.6573 8.1890 8.1890 8.6723 8.6723 8.7752 8.7752 9.0096 9.0096 9.0499 9.0499 k = 0.2931 0.2242 0.0000 ( 6282 PWs) bands (ev): -6.2362 -6.2362 -5.0170 -5.0170 -4.2961 -4.2961 -4.2885 -4.2885 -2.2791 -2.2791 -2.1659 -2.1659 -2.1121 -2.1121 -2.0170 -2.0170 -1.6987 -1.6987 -1.5321 -1.5321 -1.4605 -1.4605 -1.4368 -1.4368 -1.3518 -1.3518 -1.3377 -1.3377 -0.9103 -0.9103 0.1950 0.1950 2.3521 2.3521 2.4776 2.4776 2.4936 2.4936 2.9942 2.9942 4.0793 4.0793 4.6313 4.6313 4.6963 4.6963 4.7279 4.7279 5.5198 5.5198 5.6326 5.6326 8.2500 8.2500 8.6070 8.6070 8.8428 8.8428 8.9182 8.9182 8.9544 8.9544 k = 0.3103 0.2374 0.0000 ( 6282 PWs) bands (ev): -6.2020 -6.2020 -5.0781 -5.0781 -4.2965 -4.2965 -4.2894 -4.2894 -2.2727 -2.2727 -2.1682 -2.1682 -2.1090 -2.1090 -2.0203 -2.0203 -1.6874 -1.6874 -1.5346 -1.5346 -1.4594 -1.4594 -1.4376 -1.4376 -1.3556 -1.3556 -1.3433 -1.3433 -0.8596 -0.8596 0.1589 0.1589 2.3624 2.3624 2.5095 2.5095 2.5270 2.5270 3.0137 3.0137 4.1213 4.1213 4.5686 4.5686 4.6831 4.6831 4.7118 4.7118 5.5125 5.5125 5.6164 5.6164 8.3120 8.3120 8.5450 8.5450 8.8219 8.8219 8.8518 8.8518 8.9198 8.9198 k = 0.3276 0.2506 0.0000 ( 6278 PWs) bands (ev): -6.1660 -6.1660 -5.1391 -5.1391 -4.2968 -4.2968 -4.2903 -4.2903 -2.2665 -2.2665 -2.1709 -2.1709 -2.1056 -2.1056 -2.0238 -2.0238 -1.6770 -1.6770 -1.5376 -1.5376 -1.4589 -1.4589 -1.4380 -1.4380 -1.3592 -1.3592 -1.3487 -1.3487 -0.8075 -0.8075 0.1221 0.1221 2.3755 2.3755 2.5421 2.5421 2.5607 2.5607 3.0252 3.0252 4.1602 4.1602 4.5093 4.5093 4.6657 4.6657 4.6939 4.6939 5.5140 5.5140 5.6084 5.6084 8.3733 8.3733 8.4884 8.4884 8.7294 8.7294 8.7594 8.7594 8.9756 8.9756 k = 0.3448 0.2638 0.0000 ( 6294 PWs) bands (ev): -6.1282 -6.1282 -5.1999 -5.1999 -4.2970 -4.2970 -4.2912 -4.2912 -2.2606 -2.2606 -2.1739 -2.1739 -2.1022 -2.1022 -2.0275 -2.0275 -1.6670 -1.6670 -1.5412 -1.5412 -1.4587 -1.4587 -1.4385 -1.4385 -1.3629 -1.3629 -1.3538 -1.3538 -0.7544 -0.7544 0.0846 0.0846 2.3923 2.3923 2.5749 2.5749 2.5940 2.5940 3.0278 3.0278 4.1958 4.1958 4.4589 4.4589 4.6439 4.6439 4.6718 4.6718 5.5232 5.5232 5.6078 5.6078 8.4221 8.4221 8.4476 8.4476 8.6405 8.6405 8.6684 8.6684 8.9822 8.9822 k = 0.3621 0.2769 0.0000 ( 6286 PWs) bands (ev): -6.0887 -6.0887 -5.2603 -5.2603 -4.2973 -4.2973 -4.2920 -4.2920 -2.2547 -2.2547 -2.1772 -2.1772 -2.0984 -2.0984 -2.0313 -2.0313 -1.6575 -1.6575 -1.5451 -1.5451 -1.4585 -1.4585 -1.4388 -1.4388 -1.3665 -1.3665 -1.3583 -1.3583 -0.7008 -0.7008 0.0464 0.0464 2.4129 2.4129 2.6070 2.6070 2.6261 2.6261 3.0211 3.0211 4.2278 4.2278 4.4185 4.4185 4.6188 4.6188 4.6460 4.6460 5.5385 5.5385 5.6133 5.6133 8.3885 8.3885 8.4862 8.4862 8.5592 8.5592 8.5823 8.5823 8.9295 8.9295 k = 0.3793 0.2901 0.0000 ( 6278 PWs) bands (ev): -6.0475 -6.0475 -5.3202 -5.3202 -4.2974 -4.2974 -4.2928 -4.2928 -2.2490 -2.2490 -2.1808 -2.1808 -2.0946 -2.0946 -2.0351 -2.0351 -1.6484 -1.6484 -1.5495 -1.5495 -1.4583 -1.4583 -1.4392 -1.4392 -1.3697 -1.3697 -1.3624 -1.3624 -0.6472 -0.6472 0.0074 0.0074 2.4376 2.4376 2.6378 2.6378 2.6565 2.6565 3.0050 3.0050 4.2559 4.2559 4.3881 4.3881 4.5922 4.5922 4.6180 4.6180 5.5581 5.5581 5.6233 5.6233 8.3508 8.3508 8.4690 8.4690 8.5005 8.5005 8.5376 8.5376 8.8782 8.8782 k = 0.3966 0.3033 0.0000 ( 6254 PWs) bands (ev): -6.0046 -6.0046 -5.3794 -5.3794 -4.2975 -4.2975 -4.2936 -4.2936 -2.2434 -2.2434 -2.1846 -2.1846 -2.0905 -2.0905 -2.0391 -2.0391 -1.6396 -1.6396 -1.5543 -1.5543 -1.4577 -1.4577 -1.4398 -1.4398 -1.3727 -1.3727 -1.3660 -1.3660 -0.5939 -0.5939 -0.0324 -0.0324 2.4663 2.4663 2.6664 2.6664 2.6846 2.6846 2.9806 2.9806 4.2798 4.2798 4.3668 4.3668 4.5656 4.5656 4.5894 4.5894 5.5802 5.5802 5.6358 5.6358 8.3198 8.3198 8.4018 8.4018 8.4283 8.4283 8.5425 8.5425 8.8605 8.8605 k = 0.4138 0.3165 0.0000 ( 6262 PWs) bands (ev): -5.9601 -5.9601 -5.4379 -5.4379 -4.2976 -4.2976 -4.2943 -4.2943 -2.2379 -2.2379 -2.1888 -2.1888 -2.0864 -2.0864 -2.0432 -2.0432 -1.6311 -1.6311 -1.5598 -1.5598 -1.4570 -1.4570 -1.4407 -1.4407 -1.3752 -1.3752 -1.3693 -1.3693 -0.5412 -0.5412 -0.0731 -0.0731 2.4988 2.4988 2.6920 2.6920 2.7097 2.7097 2.9489 2.9489 4.2996 4.2996 4.3532 4.3532 4.5407 4.5407 4.5618 4.5618 5.6030 5.6030 5.6493 5.6493 8.2956 8.2956 8.3406 8.3406 8.3647 8.3647 8.5173 8.5173 8.8845 8.8845 k = 0.4310 0.3297 0.0000 ( 6254 PWs) bands (ev): -5.9141 -5.9141 -5.4955 -5.4955 -4.2976 -4.2976 -4.2949 -4.2949 -2.2325 -2.2325 -2.1931 -2.1931 -2.0821 -2.0821 -2.0474 -2.0474 -1.6229 -1.6229 -1.5656 -1.5656 -1.4560 -1.4560 -1.4419 -1.4419 -1.3772 -1.3772 -1.3721 -1.3721 -0.4893 -0.4893 -0.1148 -0.1148 2.5347 2.5347 2.7134 2.7134 2.7315 2.7315 2.9119 2.9119 4.3150 4.3150 4.3457 4.3457 4.5189 4.5189 4.5367 4.5367 5.6249 5.6249 5.6620 5.6620 8.2758 8.2758 8.2894 8.2894 8.3139 8.3139 8.4743 8.4743 8.9363 8.9363 k = 0.4483 0.3429 0.0000 ( 6262 PWs) bands (ev): -5.8665 -5.8665 -5.5521 -5.5521 -4.2975 -4.2975 -4.2955 -4.2955 -2.2273 -2.2273 -2.1976 -2.1976 -2.0778 -2.0778 -2.0517 -2.0517 -1.6150 -1.6150 -1.5717 -1.5717 -1.4546 -1.4546 -1.4434 -1.4434 -1.3786 -1.3786 -1.3745 -1.3745 -0.4383 -0.4383 -0.1575 -0.1575 2.5737 2.5737 2.7289 2.7289 2.7498 2.7498 2.8721 2.8721 4.3262 4.3263 4.3425 4.3425 4.5013 4.5013 4.5153 4.5153 5.6446 5.6446 5.6724 5.6724 8.2457 8.2457 8.2531 8.2531 8.2883 8.2883 8.4275 8.4275 9.0021 9.0021 k = 0.4655 0.3561 0.0000 ( 6246 PWs) bands (ev): -5.8174 -5.8174 -5.6076 -5.6076 -4.2973 -4.2973 -4.2960 -4.2960 -2.2220 -2.2220 -2.2022 -2.2022 -2.0735 -2.0735 -2.0559 -2.0559 -1.6072 -1.6072 -1.5783 -1.5783 -1.4529 -1.4529 -1.4452 -1.4452 -1.3793 -1.3793 -1.3764 -1.3764 -0.3885 -0.3885 -0.2013 -0.2013 2.6150 2.6150 2.7352 2.7352 2.7645 2.7645 2.8334 2.8334 4.3337 4.3337 4.3416 4.3416 4.4890 4.4890 4.4985 4.4985 5.6609 5.6609 5.6795 5.6795 8.2169 8.2169 8.2235 8.2235 8.2867 8.2867 8.3838 8.3838 9.0746 9.0746 k = 0.4828 0.3693 0.0000 ( 6246 PWs) bands (ev): -5.7670 -5.7670 -5.6620 -5.6620 -4.2971 -4.2971 -4.2964 -4.2964 -2.2169 -2.2169 -2.2069 -2.2069 -2.0691 -2.0691 -2.0603 -2.0603 -1.5996 -1.5996 -1.5851 -1.5851 -1.4511 -1.4511 -1.4471 -1.4471 -1.3794 -1.3794 -1.3779 -1.3779 -0.3399 -0.3399 -0.2463 -0.2463 2.6570 2.6570 2.7256 2.7256 2.7762 2.7762 2.8034 2.8034 4.3381 4.3381 4.3414 4.3414 4.4824 4.4824 4.4872 4.4872 5.6729 5.6729 5.6822 5.6822 8.1998 8.1998 8.2034 8.2034 8.2972 8.2972 8.3467 8.3467 9.1504 9.1504 k = 0.5000 0.3824 0.0000 ( 6254 PWs) bands (ev): -5.7151 -5.7151 -5.7151 -5.7151 -4.2968 -4.2968 -4.2968 -4.2968 -2.2119 -2.2119 -2.2119 -2.2119 -2.0647 -2.0647 -2.0647 -2.0647 -1.5922 -1.5922 -1.5922 -1.5922 -1.4491 -1.4491 -1.4491 -1.4491 -1.3790 -1.3790 -1.3790 -1.3790 -0.2925 -0.2925 -0.2925 -0.2925 2.6965 2.6965 2.6965 2.6965 2.7869 2.7869 2.7869 2.7869 4.3405 4.3405 4.3405 4.3405 4.4818 4.4818 4.4818 4.4818 5.6800 5.6800 5.6800 5.6800 8.1953 8.1953 8.1953 8.1953 8.3175 8.3175 8.3175 8.3175 9.2272 9.2272 k = 0.5000 0.3824 0.0000 ( 6254 PWs) bands (ev): -5.7151 -5.7151 -5.7151 -5.7151 -4.2968 -4.2968 -4.2968 -4.2968 -2.2119 -2.2119 -2.2119 -2.2119 -2.0647 -2.0647 -2.0647 -2.0647 -1.5922 -1.5922 -1.5922 -1.5922 -1.4491 -1.4491 -1.4491 -1.4491 -1.3790 -1.3790 -1.3790 -1.3790 -0.2925 -0.2925 -0.2925 -0.2925 2.6965 2.6965 2.6965 2.6965 2.7869 2.7869 2.7869 2.7869 4.3405 4.3405 4.3405 4.3405 4.4818 4.4818 4.4818 4.4818 5.6800 5.6800 5.6800 5.6800 8.1953 8.1953 8.1953 8.1953 8.3175 8.3175 8.3175 8.3175 9.2272 9.2272 k = 0.4907 0.3946 0.0153 ( 6254 PWs) bands (ev): -5.7154 -5.7151 -5.7143 -5.7142 -4.2984 -4.2975 -4.2974 -4.2962 -2.2149 -2.2125 -2.2112 -2.2090 -2.0703 -2.0666 -2.0637 -2.0596 -1.5969 -1.5967 -1.5879 -1.5876 -1.4524 -1.4505 -1.4482 -1.4459 -1.3876 -1.3792 -1.3784 -1.3716 -0.2953 -0.2913 -0.2892 -0.2855 2.6638 2.6919 2.6946 2.7198 2.7643 2.7851 2.7868 2.8185 4.3051 4.3288 4.3401 4.3496 4.4739 4.4786 4.4975 4.5148 5.6737 5.6761 5.6815 5.6839 8.1647 8.1730 8.1976 8.1997 8.3193 8.3234 8.3427 8.3468 9.2329 9.2331 k = 0.4814 0.4068 0.0306 ( 6248 PWs) bands (ev): -5.7159 -5.7153 -5.7117 -5.7115 -4.3023 -4.3006 -4.2980 -4.2957 -2.2180 -2.2130 -2.2105 -2.2063 -2.0764 -2.0690 -2.0636 -2.0547 -1.6017 -1.6008 -1.5840 -1.5827 -1.4558 -1.4525 -1.4477 -1.4427 -1.3968 -1.3789 -1.3775 -1.3659 -0.2995 -0.2915 -0.2761 -0.2689 2.6296 2.6793 2.6865 2.7086 2.7693 2.7841 2.7892 2.8514 4.2547 4.2914 4.3368 4.3493 4.4798 4.4804 4.5334 4.5595 5.6577 5.6627 5.6875 5.6924 8.1147 8.1268 8.2014 8.2065 8.3327 8.3405 8.3947 8.3981 9.2526 9.2566 k = 0.4721 0.4190 0.0460 ( 6250 PWs) bands (ev): -5.7166 -5.7158 -5.7073 -5.7070 -4.3084 -4.3059 -4.2986 -4.2952 -2.2212 -2.2135 -2.2098 -2.2038 -2.0831 -2.0719 -2.0647 -2.0501 -1.6068 -1.6047 -1.5805 -1.5776 -1.4597 -1.4551 -1.4476 -1.4396 -1.4059 -1.3782 -1.3763 -1.3620 -0.3051 -0.2933 -0.2532 -0.2431 2.5950 2.6573 2.6723 2.6835 2.7670 2.7792 2.8157 2.8846 4.1982 4.2397 4.3320 4.3486 4.4848 4.4874 4.5808 4.6079 5.6324 5.6400 5.6984 5.7055 8.0627 8.0764 8.2089 8.2169 8.3562 8.3673 8.4531 8.4549 9.2857 9.2931 k = 0.4628 0.4311 0.0613 ( 6258 PWs) bands (ev): -5.7176 -5.7165 -5.7012 -5.7008 -4.3165 -4.3133 -4.2993 -4.2948 -2.2246 -2.2138 -2.2092 -2.2017 -2.0903 -2.0752 -2.0668 -2.0456 -1.6120 -1.6082 -1.5775 -1.5725 -1.4646 -1.4581 -1.4478 -1.4366 -1.4139 -1.3770 -1.3748 -1.3597 -0.3122 -0.2968 -0.2212 -0.2087 2.5607 2.6280 2.6521 2.6572 2.7597 2.7726 2.8483 2.9176 4.1385 4.1822 4.3260 4.3474 4.4897 4.4944 4.6330 4.6581 5.5985 5.6087 5.7139 5.7231 8.0136 8.0279 8.2204 8.2311 8.3893 8.4034 8.5129 8.5132 9.3314 9.3420 k = 0.4535 0.4433 0.0766 ( 6264 PWs) bands (ev): -5.7190 -5.7177 -5.6933 -5.6928 -4.3266 -4.3227 -4.3000 -4.2944 -2.2280 -2.2138 -2.2085 -2.2000 -2.0978 -2.0786 -2.0700 -2.0412 -1.6173 -1.6115 -1.5750 -1.5674 -1.4710 -1.4610 -1.4484 -1.4338 -1.4203 -1.3753 -1.3731 -1.3587 -0.3207 -0.3018 -0.1808 -0.1666 2.5269 2.5954 2.6262 2.6282 2.7512 2.7649 2.8818 2.9502 4.0771 4.1217 4.3193 4.3457 4.4932 4.4995 4.6879 4.7099 5.5568 5.5696 5.7339 5.7450 7.9693 7.9837 8.2361 8.2494 8.4313 8.4480 8.5722 8.5724 9.3889 9.4029 k = 0.4441 0.4555 0.0919 ( 6254 PWs) bands (ev): -5.7208 -5.7192 -5.6837 -5.6831 -4.3385 -4.3340 -4.3006 -4.2940 -2.2316 -2.2135 -2.2079 -2.1986 -2.1054 -2.0821 -2.0741 -2.0366 -1.6225 -1.6144 -1.5729 -1.5623 -1.4787 -1.4635 -1.4493 -1.4310 -1.4247 -1.3729 -1.3710 -1.3588 -0.3306 -0.3086 -0.1330 -0.1177 2.4940 2.5616 2.5957 2.5963 2.7417 2.7562 2.9154 2.9823 4.0145 4.0595 4.3122 4.3438 4.4933 4.5010 4.7452 4.7636 5.5082 5.5237 5.7582 5.7709 7.9311 7.9449 8.2563 8.2721 8.4817 8.5001 8.6316 8.6317 9.4565 9.4749 k = 0.4348 0.4676 0.1073 ( 6244 PWs) bands (ev): -5.7231 -5.7213 -5.6723 -5.6716 -4.3518 -4.3469 -4.3013 -4.2937 -2.2352 -2.2128 -2.2072 -2.1979 -2.1131 -2.0857 -2.0789 -2.0321 -1.6275 -1.6171 -1.5712 -1.5573 -1.4869 -1.4658 -1.4506 -1.4285 -1.4277 -1.3702 -1.3687 -1.3595 -0.3419 -0.3172 -0.0787 -0.0629 2.4622 2.5269 2.5615 2.5626 2.7312 2.7463 2.9488 3.0138 3.9513 3.9963 4.3053 4.3420 4.4885 4.4976 4.8044 4.8194 5.4539 5.4722 5.7863 5.8003 7.8996 7.9124 8.2811 8.2994 8.5393 8.5589 8.6904 8.6918 9.5324 9.5567 k = 0.4255 0.4798 0.1226 ( 6252 PWs) bands (ev): -5.7260 -5.7241 -5.6592 -5.6584 -4.3664 -4.3612 -4.3020 -4.2934 -2.2391 -2.2118 -2.2066 -2.1979 -2.1207 -2.0894 -2.0842 -2.0274 -1.6325 -1.6197 -1.5701 -1.5526 -1.4950 -1.4678 -1.4524 -1.4297 -1.4263 -1.3673 -1.3662 -1.3601 -0.3547 -0.3275 -0.0190 -0.0031 2.4317 2.4915 2.5249 2.5287 2.7194 2.7352 2.9819 3.0447 3.8881 3.9329 4.2988 4.3407 4.4774 4.4884 4.8654 4.8771 5.3949 5.4161 5.8178 5.8329 7.8751 7.8866 8.3108 8.3315 8.6030 8.6229 8.7489 8.7526 9.6135 9.6468 k = 0.4162 0.4920 0.1379 ( 6244 PWs) bands (ev): -5.7296 -5.7275 -5.6445 -5.6435 -4.3820 -4.3766 -4.3027 -4.2932 -2.2430 -2.2104 -2.2061 -2.1986 -2.1279 -2.0930 -2.0897 -2.0225 -1.6372 -1.6220 -1.5694 -1.5481 -1.5023 -1.4696 -1.4546 -1.4310 -1.4243 -1.3657 -1.3633 -1.3590 -0.3688 -0.3398 0.0451 0.0608 2.4030 2.4551 2.4872 2.4964 2.7062 2.7226 3.0144 3.0747 3.8253 3.8696 4.2935 4.3403 4.4596 4.4728 4.9276 4.9364 5.3323 5.3566 5.8521 5.8680 7.8578 7.8678 8.3455 8.3684 8.6714 8.6906 8.8070 8.8139 9.6942 9.7414 k = 0.4069 0.5041 0.1532 ( 6248 PWs) bands (ev): -5.7341 -5.7319 -5.6280 -5.6270 -4.3983 -4.3927 -4.3034 -4.2930 -2.2470 -2.2085 -2.2057 -2.2000 -2.1347 -2.0967 -2.0952 -2.0176 -1.6418 -1.6244 -1.5692 -1.5440 -1.5085 -1.4712 -1.4572 -1.4319 -1.4226 -1.3663 -1.3602 -1.3553 -0.3843 -0.3540 0.1126 0.1278 2.3761 2.4182 2.4495 2.4664 2.6914 2.7085 3.0464 3.1039 3.7632 3.8069 4.2897 4.3411 4.4348 4.4506 4.9904 4.9966 5.2672 5.2950 5.8886 5.9051 7.8476 7.8559 8.3850 8.4100 8.7427 8.7601 8.8642 8.8750 9.7646 9.8189 k = 0.3976 0.5163 0.1685 ( 6244 PWs) bands (ev): -5.7396 -5.7372 -5.6099 -5.6088 -4.4148 -4.4093 -4.3040 -4.2928 -2.2510 -2.2061 -2.2056 -2.2018 -2.1409 -2.1005 -2.1002 -2.0125 -1.6461 -1.6266 -1.5694 -1.5403 -1.5134 -1.4725 -1.4602 -1.4323 -1.4213 -1.3673 -1.3568 -1.3502 -0.4012 -0.3701 0.1823 0.1969 2.3513 2.3820 2.4131 2.4391 2.6750 2.6926 3.0777 3.1321 3.7022 3.7452 4.2880 4.3433 4.4030 4.4220 5.0522 5.0556 5.2015 5.2335 5.9266 5.9434 7.8442 7.8507 8.4293 8.4564 8.8145 8.8289 8.9198 8.9351 9.8153 9.8422 k = 0.3883 0.5285 0.1839 ( 6244 PWs) bands (ev): -5.7461 -5.7437 -5.5902 -5.5889 -4.4315 -4.4261 -4.3047 -4.2926 -2.2548 -2.2068 -2.2032 -2.2031 -2.1466 -2.1055 -2.1037 -2.0073 -1.6501 -1.6288 -1.5699 -1.5371 -1.5169 -1.4737 -1.4636 -1.4326 -1.4203 -1.3683 -1.3533 -1.3445 -0.4195 -0.3882 0.2532 0.2671 2.3288 2.3478 2.3793 2.4146 2.6571 2.6749 3.1081 3.1589 3.6427 3.6848 4.2886 4.3463 4.3647 4.3884 5.0998 5.1032 5.1487 5.1827 5.9653 5.9821 7.8473 7.8520 8.4780 8.5070 8.8840 8.8942 8.9728 8.9928 9.8511 9.8521 k = 0.3790 0.5407 0.1992 ( 6236 PWs) bands (ev): -5.7539 -5.7515 -5.5689 -5.5675 -4.4478 -4.4427 -4.3053 -4.2925 -2.2585 -2.2098 -2.2030 -2.1997 -2.1517 -2.1101 -2.1071 -2.0020 -1.6539 -1.6310 -1.5708 -1.5344 -1.5191 -1.4746 -1.4674 -1.4326 -1.4198 -1.3690 -1.3494 -1.3382 -0.4390 -0.4084 0.3242 0.3374 2.3087 2.3168 2.3494 2.3928 2.6375 2.6555 3.1374 3.1843 3.5850 3.6260 4.2907 4.3217 4.3350 4.3656 5.0556 5.0829 5.1867 5.1992 6.0039 6.0205 7.8566 7.8593 8.5308 8.5616 8.9477 8.9527 9.0221 9.0463 9.8674 9.8844 k = 0.3697 0.5528 0.2145 ( 6232 PWs) bands (ev): -5.7631 -5.7606 -5.5460 -5.5445 -4.4635 -4.4587 -4.3059 -4.2925 -2.2619 -2.2135 -2.2026 -2.1959 -2.1561 -2.1143 -2.1104 -1.9967 -1.6575 -1.6331 -1.5719 -1.5323 -1.5202 -1.4754 -1.4714 -1.4324 -1.4198 -1.3693 -1.3454 -1.3316 -0.4598 -0.4305 0.3939 0.4065 2.2906 2.2911 2.3245 2.3739 2.6166 2.6343 3.1654 3.2078 3.5295 3.5693 4.2659 4.2925 4.3032 4.3714 4.9897 5.0247 5.2452 5.2531 6.0414 6.0577 7.8714 7.8723 8.5869 8.6194 9.0017 9.0022 9.0661 9.0933 9.8941 9.9249 k = 0.3604 0.5650 0.2298 ( 6254 PWs) bands (ev): -5.7738 -5.7713 -5.5216 -5.5200 -4.4782 -4.4739 -4.3064 -4.2924 -2.2650 -2.2176 -2.2021 -2.1917 -2.1601 -2.1183 -2.1135 -1.9915 -1.6609 -1.6352 -1.5732 -1.5309 -1.5205 -1.4760 -1.4757 -1.4323 -1.4203 -1.3692 -1.3413 -1.3247 -0.4818 -0.4546 0.4610 0.4732 2.2704 2.2768 2.3056 2.3576 2.5944 2.6114 3.1917 3.2289 3.4767 3.5148 4.2119 4.2410 4.3124 4.3843 4.9236 4.9635 5.3029 5.3094 6.0770 6.0928 7.8903 7.8914 8.6456 8.6796 9.0389 9.0444 9.1038 9.1317 9.9366 9.9781 k = 0.3511 0.5772 0.2452 ( 6256 PWs) bands (ev): -5.7860 -5.7836 -5.4957 -5.4939 -4.4918 -4.4881 -4.3069 -4.2924 -2.2675 -2.2217 -2.2016 -2.1871 -2.1634 -2.1220 -2.1163 -1.9862 -1.6642 -1.6372 -1.5746 -1.5303 -1.5200 -1.4799 -1.4763 -1.4320 -1.4213 -1.3688 -1.3369 -1.3175 -0.5049 -0.4806 0.5243 0.5361 2.2575 2.2666 2.2929 2.3442 2.5713 2.5872 3.2159 3.2470 3.4271 3.4628 4.1524 4.1845 4.3265 4.4012 4.8591 4.9036 5.3581 5.3640 6.1097 6.1247 7.9128 7.9159 8.7057 8.7413 9.0642 9.0733 9.1346 9.1603 9.9968 10.0464 k = 0.3417 0.5893 0.2605 ( 6266 PWs) bands (ev): -5.7999 -5.7976 -5.4683 -5.4664 -4.5040 -4.5008 -4.3073 -4.2924 -2.2696 -2.2257 -2.2010 -2.1827 -2.1657 -2.1256 -2.1189 -1.9812 -1.6674 -1.6390 -1.5759 -1.5307 -1.5189 -1.4841 -1.4764 -1.4317 -1.4227 -1.3681 -1.3324 -1.3103 -0.5290 -0.5085 0.5824 0.5941 2.2532 2.2617 2.2869 2.3335 2.5477 2.5617 3.2376 3.2607 3.3820 3.4137 4.0890 4.1240 4.3444 4.4219 4.7973 4.8463 5.4098 5.4156 6.1387 6.1527 7.9392 7.9444 8.7657 8.8027 9.0790 9.0901 9.1588 9.1792 10.0747 10.1286 k = 0.3324 0.6015 0.2758 ( 6272 PWs) bands (ev): -5.8154 -5.8133 -5.4396 -5.4375 -4.5145 -4.5120 -4.3077 -4.2924 -2.2711 -2.2292 -2.2005 -2.1794 -2.1664 -2.1290 -2.1210 -1.9763 -1.6705 -1.6406 -1.5773 -1.5321 -1.5175 -1.4877 -1.4762 -1.4312 -1.4245 -1.3672 -1.3279 -1.3030 -0.5540 -0.5381 0.6338 0.6458 2.2581 2.2612 2.2894 2.3258 2.5242 2.5355 3.2560 3.2662 3.3448 3.3680 4.0224 4.0603 4.3660 4.4463 4.7388 4.7927 5.4572 5.4631 6.1630 6.1758 7.9689 7.9763 8.8236 8.8616 9.0863 9.0980 9.1782 9.1911 10.1681 10.2112 k = 0.3231 0.6137 0.2911 ( 6276 PWs) bands (ev): -5.8327 -5.8307 -5.4094 -5.4072 -4.5232 -4.5215 -4.3081 -4.2925 -2.2720 -2.2324 -2.2000 -2.1783 -2.1644 -2.1324 -2.1223 -1.9715 -1.6739 -1.6420 -1.5787 -1.5349 -1.5158 -1.4907 -1.4757 -1.4307 -1.4267 -1.3662 -1.3233 -1.2957 -0.5797 -0.5693 0.6777 0.6901 2.2631 2.2713 2.3033 2.3226 2.5014 2.5089 3.2556 3.2696 3.3235 3.3267 3.9533 3.9938 4.3911 4.4743 4.6844 4.7435 5.4998 5.5059 6.1820 6.1933 8.0010 8.0108 8.8764 8.9144 9.0894 9.1007 9.1964 9.2007 10.2739 10.2952 k = 0.3231 0.6137 0.2911 ( 6276 PWs) bands (ev): -5.8327 -5.8307 -5.4094 -5.4072 -4.5232 -4.5215 -4.3081 -4.2925 -2.2720 -2.2324 -2.2000 -2.1783 -2.1644 -2.1324 -2.1223 -1.9715 -1.6739 -1.6420 -1.5787 -1.5349 -1.5158 -1.4907 -1.4757 -1.4307 -1.4267 -1.3662 -1.3233 -1.2957 -0.5797 -0.5693 0.6777 0.6901 2.2631 2.2713 2.3033 2.3226 2.5014 2.5089 3.2556 3.2696 3.3235 3.3267 3.9533 3.9938 4.3911 4.4743 4.6844 4.7435 5.4998 5.5059 6.1820 6.1933 8.0010 8.0108 8.8764 8.9144 9.0894 9.1007 9.1964 9.2007 10.2739 10.2952 k = 0.3041 0.6081 0.2982 ( 6272 PWs) bands (ev): -5.8429 -5.8410 -5.3932 -5.3909 -4.5261 -4.5247 -4.3084 -4.2926 -2.2722 -2.2337 -2.1996 -2.1785 -2.1628 -2.1337 -2.1226 -1.9695 -1.6754 -1.6426 -1.5793 -1.5370 -1.5149 -1.4918 -1.4752 -1.4310 -1.4272 -1.3657 -1.3212 -1.2925 -0.5936 -0.5855 0.6967 0.7095 2.2527 2.2833 2.3078 2.3385 2.4894 2.4955 3.2409 3.2655 3.3133 3.3276 3.9193 3.9624 4.4018 4.4866 4.6646 4.7265 5.5169 5.5230 6.1877 6.1986 8.0201 8.0313 8.8959 8.9323 9.0698 9.0814 9.2279 9.2325 10.3127 10.3537 k = 0.2851 0.6024 0.3053 ( 6275 PWs) bands (ev): -5.8560 -5.8542 -5.3739 -5.3715 -4.5276 -4.5265 -4.3090 -4.2932 -2.2722 -2.2348 -2.1990 -2.1789 -2.1615 -2.1346 -2.1227 -1.9679 -1.6770 -1.6430 -1.5799 -1.5401 -1.5140 -1.4927 -1.4746 -1.4324 -1.4266 -1.3652 -1.3194 -1.2898 -0.6113 -0.6038 0.7170 0.7303 2.2427 2.2753 2.3296 2.3624 2.4740 2.4806 3.2219 3.2459 3.3143 3.3352 3.8845 3.9323 4.4096 4.4958 4.6529 4.7176 5.5312 5.5369 6.1894 6.2004 8.0465 8.0596 8.9099 8.9430 9.0308 9.0421 9.2872 9.2949 10.3424 10.4217 k = 0.2661 0.5968 0.3124 ( 6267 PWs) bands (ev): -5.8708 -5.8691 -5.3528 -5.3503 -4.5275 -4.5267 -4.3100 -4.2941 -2.2718 -2.2358 -2.1981 -2.1791 -2.1607 -2.1350 -2.1223 -1.9668 -1.6783 -1.6432 -1.5804 -1.5438 -1.5131 -1.4933 -1.4739 -1.4344 -1.4255 -1.3648 -1.3179 -1.2877 -0.6322 -0.6234 0.7388 0.7525 2.2351 2.2641 2.3550 2.3852 2.4560 2.4662 3.2016 3.2192 3.3197 3.3424 3.8526 3.9055 4.4149 4.5022 4.6482 4.7154 5.5424 5.5476 6.1864 6.1981 8.0798 8.0952 8.9202 8.9490 8.9891 8.9996 9.3601 9.3709 10.3716 10.4523 k = 0.2471 0.5912 0.3194 ( 6267 PWs) bands (ev): -5.8865 -5.8849 -5.3311 -5.3286 -4.5258 -4.5252 -4.3114 -4.2955 -2.2711 -2.2366 -2.1971 -2.1793 -2.1604 -2.1353 -2.1215 -1.9664 -1.6795 -1.6432 -1.5811 -1.5482 -1.5125 -1.4937 -1.4732 -1.4366 -1.4241 -1.3644 -1.3168 -1.2864 -0.6553 -0.6438 0.7621 0.7760 2.2294 2.2532 2.3773 2.4026 2.4373 2.4574 3.1790 3.1884 3.3269 3.3485 3.8266 3.8831 4.4181 4.5061 4.6497 4.7189 5.5506 5.5550 6.1782 6.1911 8.1195 8.1373 8.9279 8.9469 8.9541 8.9615 9.4420 9.4558 10.4008 10.4812 k = 0.2281 0.5856 0.3265 ( 6263 PWs) bands (ev): -5.9024 -5.9009 -5.3096 -5.3070 -4.5226 -4.5218 -4.3133 -4.2974 -2.2700 -2.2372 -2.1959 -2.1794 -2.1605 -2.1355 -2.1200 -1.9666 -1.6802 -1.6428 -1.5819 -1.5531 -1.5120 -1.4938 -1.4726 -1.4391 -1.4226 -1.3641 -1.3162 -1.2862 -0.6792 -0.6649 0.7867 0.8007 2.2245 2.2425 2.3852 2.4101 2.4250 2.4629 3.1498 3.1563 3.3356 3.3553 3.8079 3.8655 4.4200 4.5078 4.6564 4.7268 5.5556 5.5590 6.1648 6.1789 8.1648 8.1853 8.9129 8.9187 8.9411 8.9584 9.5309 9.5479 10.4296 10.5093 k = 0.2091 0.5799 0.3336 ( 6258 PWs) bands (ev): -5.9179 -5.9166 -5.2889 -5.2863 -4.5178 -4.5165 -4.3157 -4.2999 -2.2686 -2.2376 -2.1946 -2.1793 -2.1608 -2.1360 -2.1177 -1.9676 -1.6806 -1.6422 -1.5829 -1.5584 -1.5117 -1.4937 -1.4722 -1.4418 -1.4209 -1.3640 -1.3160 -1.2871 -0.7030 -0.6860 0.8125 0.8264 2.2197 2.2317 2.3728 2.3977 2.4391 2.4796 3.1120 3.1244 3.3459 3.3650 3.7963 3.8520 4.4215 4.5082 4.6674 4.7383 5.5573 5.5597 6.1460 6.1617 8.2147 8.2381 8.8835 8.8896 8.9494 8.9633 9.6255 9.6459 10.4575 10.5359 k = 0.1901 0.5743 0.3407 ( 6256 PWs) bands (ev): -5.9328 -5.9316 -5.2695 -5.2670 -4.5115 -4.5096 -4.3186 -4.3030 -2.2667 -2.2378 -2.1934 -2.1792 -2.1611 -2.1368 -2.1148 -1.9696 -1.6805 -1.6413 -1.5842 -1.5642 -1.5114 -1.4935 -1.4720 -1.4447 -1.4191 -1.3641 -1.3162 -1.2892 -0.7260 -0.7068 0.8393 0.8527 2.2132 2.2217 2.3530 2.3819 2.4585 2.4991 3.0711 3.0885 3.3583 3.3789 3.7902 3.8415 4.4236 4.5084 4.6818 4.7526 5.5559 5.5573 6.1223 6.1395 8.2682 8.2943 8.8598 8.8655 8.9612 8.9715 9.7245 9.7484 10.4828 10.5596 k = 0.1711 0.5687 0.3478 ( 6260 PWs) bands (ev): -5.9468 -5.9457 -5.2518 -5.2493 -4.5036 -4.5010 -4.3223 -4.3069 -2.2645 -2.2379 -2.1922 -2.1790 -2.1613 -2.1379 -2.1111 -1.9726 -1.6798 -1.6400 -1.5860 -1.5703 -1.5111 -1.4931 -1.4722 -1.4478 -1.4172 -1.3644 -1.3169 -1.2924 -0.7474 -0.7266 0.8665 0.8793 2.2033 2.2139 2.3317 2.3664 2.4769 2.5185 3.0296 3.0491 3.3738 3.3969 3.7874 3.8323 4.4272 4.5092 4.6987 4.7688 5.5512 5.5522 6.0943 6.1130 8.3238 8.3525 8.8422 8.8474 8.9758 8.9849 9.8262 9.8542 10.5024 10.5765 k = 0.1521 0.5631 0.3549 ( 6255 PWs) bands (ev): -5.9597 -5.9587 -5.2358 -5.2335 -4.4944 -4.4911 -4.3265 -4.3114 -2.2620 -2.2379 -2.1911 -2.1789 -2.1614 -2.1393 -2.1067 -1.9766 -1.6784 -1.6384 -1.5883 -1.5764 -1.5107 -1.4925 -1.4727 -1.4510 -1.4151 -1.3651 -1.3178 -1.2966 -0.7666 -0.7451 0.8939 0.9057 2.1915 2.2073 2.3104 2.3508 2.4939 2.5370 2.9890 3.0079 3.3926 3.4181 3.7854 3.8231 4.4334 4.5116 4.7172 4.7860 5.5436 5.5449 6.0631 6.0829 8.3800 8.4108 8.8303 8.8350 8.9939 9.0050 9.9285 9.9614 10.5097 10.5780 k = 0.1331 0.5574 0.3619 ( 6259 PWs) bands (ev): -5.9713 -5.9704 -5.2218 -5.2197 -4.4841 -4.4800 -4.3315 -4.3167 -2.2592 -2.2379 -2.1900 -2.1788 -2.1612 -2.1409 -2.1015 -1.9818 -1.6764 -1.6363 -1.5919 -1.5821 -1.5102 -1.4919 -1.4736 -1.4542 -1.4128 -1.3663 -1.3190 -1.3015 -0.7833 -0.7619 0.9206 0.9315 2.1798 2.2008 2.2894 2.3346 2.5099 2.5542 2.9506 2.9669 3.4147 3.4418 3.7821 3.8126 4.4425 4.5161 4.7367 4.8034 5.5337 5.5357 6.0299 6.0504 8.4348 8.4669 8.8233 8.8275 9.0172 9.0320 10.0276 10.0671 10.4952 10.5518 k = 0.1140 0.5518 0.3690 ( 6263 PWs) bands (ev): -5.9815 -5.9808 -5.2097 -5.2078 -4.4729 -4.4680 -4.3372 -4.3229 -2.2563 -2.2379 -2.1890 -2.1788 -2.1609 -2.1428 -2.0955 -1.9881 -1.6735 -1.6339 -1.5971 -1.5868 -1.5094 -1.4913 -1.4747 -1.4575 -1.4104 -1.3680 -1.3204 -1.3068 -0.7972 -0.7769 0.9462 0.9558 2.1692 2.1947 2.2689 2.3171 2.5253 2.5703 2.9154 2.9277 3.4396 3.4676 3.7760 3.8000 4.4548 4.5227 4.7565 4.8200 5.5224 5.5249 5.9963 6.0168 8.4864 8.5184 8.8207 8.8241 9.0471 9.0654 10.1157 10.1650 10.4586 10.5012 k = 0.0950 0.5462 0.3761 ( 6271 PWs) bands (ev): -5.9903 -5.9897 -5.1997 -5.1980 -4.4612 -4.4555 -4.3435 -4.3298 -2.2533 -2.2379 -2.1880 -2.1789 -2.1604 -2.1449 -2.0886 -1.9955 -1.6699 -1.6311 -1.6037 -1.5908 -1.5083 -1.4909 -1.4760 -1.4608 -1.4078 -1.3705 -1.3219 -1.3118 -0.8083 -0.7900 0.9699 0.9781 2.1607 2.1897 2.2489 2.2983 2.5407 2.5848 2.8834 2.8921 3.4665 3.4946 3.7660 3.7852 4.4699 4.5307 4.7761 4.8348 5.5106 5.5132 5.9640 5.9836 8.5326 8.5628 8.8215 8.8240 9.0837 9.1045 10.1730 10.2352 10.4245 10.4607 k = 0.0760 0.5406 0.3832 ( 6277 PWs) bands (ev): -5.9975 -5.9970 -5.1915 -5.1902 -4.4492 -4.4429 -4.3504 -4.3375 -2.2504 -2.2381 -2.1869 -2.1792 -2.1598 -2.1471 -2.0808 -2.0038 -1.6655 -1.6280 -1.6109 -1.5946 -1.5069 -1.4909 -1.4771 -1.4639 -1.4049 -1.3737 -1.3232 -1.3162 -0.8167 -0.8011 0.9909 0.9976 2.1549 2.1865 2.2298 2.2786 2.5562 2.5975 2.8546 2.8615 3.4947 3.5220 3.7519 3.7685 4.4868 4.5389 4.7950 4.8468 5.4992 5.5015 5.9350 5.9527 8.5720 8.5983 8.8249 8.8265 9.1259 9.1472 10.1732 10.2314 10.4430 10.4733 k = 0.0570 0.5349 0.3903 ( 6278 PWs) bands (ev): -6.0031 -6.0028 -5.1852 -5.1842 -4.4375 -4.4307 -4.3575 -4.3459 -2.2476 -2.2384 -2.1857 -2.1796 -2.1590 -2.1493 -2.0722 -2.0130 -1.6604 -1.6251 -1.6178 -1.5986 -1.5052 -1.4916 -1.4775 -1.4669 -1.4017 -1.3775 -1.3243 -1.3197 -0.8225 -0.8102 1.0085 1.0136 2.1523 2.1853 2.2125 2.2589 2.5717 2.6075 2.8297 2.8369 3.5231 3.5486 3.7346 3.7502 4.5043 4.5458 4.8127 4.8550 5.4890 5.4909 5.9110 5.9255 8.6032 8.6240 8.8299 8.8308 9.1703 9.1899 10.1322 10.1749 10.5001 10.5231 k = 0.0380 0.5293 0.3973 ( 6278 PWs) bands (ev): -6.0072 -6.0070 -5.1807 -5.1800 -4.4265 -4.4200 -4.3642 -4.3545 -2.2452 -2.2391 -2.1845 -2.1803 -2.1580 -2.1515 -2.0630 -2.0227 -1.6546 -1.6274 -1.6191 -1.6027 -1.5030 -1.4932 -1.4772 -1.4696 -1.3982 -1.3817 -1.3250 -1.3223 -0.8258 -0.8174 1.0219 1.0253 2.1531 2.1839 2.2002 2.2402 2.5866 2.6136 2.8107 2.8178 3.5505 3.5721 3.7168 3.7311 4.5208 4.5498 4.8285 4.8587 5.4810 5.4823 5.8934 5.9039 8.6261 8.6403 8.8349 8.8355 9.2117 9.2272 10.0858 10.1144 10.5534 10.5703 k = 0.0190 0.5237 0.4044 ( 6274 PWs) bands (ev): -6.0096 -6.0095 -5.1780 -5.1777 -4.4172 -4.4127 -4.3687 -4.3626 -2.2430 -2.2400 -2.1833 -2.1811 -2.1567 -2.1534 -2.0531 -2.0328 -1.6482 -1.6343 -1.6155 -1.6069 -1.5006 -1.4955 -1.4760 -1.4721 -1.3944 -1.3860 -1.3252 -1.3240 -0.8268 -0.8225 1.0305 1.0323 2.1575 2.1755 2.2010 2.2236 2.5998 2.6146 2.7999 2.8044 3.5740 3.5877 3.7036 3.7135 4.5346 4.5496 4.8418 4.8576 5.4760 5.4766 5.8836 5.8890 8.6409 8.6481 8.8388 8.8391 9.2433 9.2520 10.0538 10.0685 10.5886 10.5975 k = 0.0000 0.5181 0.4115 ( 6272 PWs) bands (ev): -6.0104 -6.0104 -5.1770 -5.1770 -4.4117 -4.4117 -4.3682 -4.3682 -2.2413 -2.2413 -2.1822 -2.1822 -2.1552 -2.1552 -2.0430 -2.0430 -1.6414 -1.6414 -1.6112 -1.6112 -1.4980 -1.4980 -1.4743 -1.4743 -1.3903 -1.3903 -1.3249 -1.3249 -0.8257 -0.8257 1.0341 1.0341 2.1653 2.1653 2.2101 2.2101 2.6097 2.6097 2.7980 2.7980 3.5886 3.5886 3.7022 3.7022 4.5445 4.5445 4.8518 4.8518 5.4745 5.4745 5.8821 5.8821 8.6481 8.6481 8.8403 8.8403 9.2580 9.2580 10.0470 10.0470 10.6031 10.6031 k = 0.0000 0.5181 0.4115 ( 6272 PWs) bands (ev): -6.0104 -6.0104 -5.1770 -5.1770 -4.4117 -4.4117 -4.3682 -4.3682 -2.2413 -2.2413 -2.1822 -2.1822 -2.1552 -2.1552 -2.0430 -2.0430 -1.6414 -1.6414 -1.6112 -1.6112 -1.4980 -1.4980 -1.4743 -1.4743 -1.3903 -1.3903 -1.3249 -1.3249 -0.8257 -0.8257 1.0341 1.0341 2.1653 2.1653 2.2101 2.2101 2.6097 2.6097 2.7980 2.7980 3.5886 3.5886 3.7022 3.7022 4.5445 4.5445 4.8518 4.8518 5.4745 5.4745 5.8821 5.8821 8.6481 8.6481 8.8403 8.8403 9.2580 9.2580 10.0470 10.0470 10.6031 10.6031 k = 0.0093 0.5060 0.4267 ( 6270 PWs) bands (ev): -6.0097 -6.0096 -5.1774 -5.1773 -4.4127 -4.4118 -4.3684 -4.3683 -2.2426 -2.2397 -2.1834 -2.1808 -2.1598 -2.1506 -2.0435 -2.0420 -1.6417 -1.6412 -1.6135 -1.6080 -1.4988 -1.4971 -1.4770 -1.4712 -1.3920 -1.3885 -1.3266 -1.3234 -0.8261 -0.8257 1.0282 1.0298 2.1593 2.1620 2.2053 2.2114 2.6145 2.6184 2.7926 2.7993 3.5917 3.5928 3.7069 3.7076 4.5441 4.5490 4.8510 4.8554 5.4738 5.4766 5.8791 5.8849 8.6484 8.6486 8.8329 8.8346 9.2559 9.2592 10.0534 10.0544 10.5845 10.5942 k = 0.0185 0.4939 0.4420 ( 6264 PWs) bands (ev): -6.0076 -6.0074 -5.1785 -5.1784 -4.4147 -4.4128 -4.3688 -4.3686 -2.2435 -2.2378 -2.1844 -2.1792 -2.1642 -2.1461 -2.0437 -2.0407 -1.6422 -1.6406 -1.6144 -1.6041 -1.4995 -1.4962 -1.4794 -1.4680 -1.3934 -1.3866 -1.3285 -1.3220 -0.8268 -0.8261 1.0127 1.0157 2.1434 2.1499 2.1984 2.2083 2.6325 2.6394 2.7840 2.7971 3.6021 3.6041 3.7214 3.7227 4.5479 4.5575 4.8531 4.8620 5.4747 5.4802 5.8760 5.8875 8.6493 8.6496 8.8129 8.8164 9.2530 9.2596 10.0728 10.0744 10.5422 10.5602 k = 0.0278 0.4818 0.4572 ( 6268 PWs) bands (ev): -6.0041 -6.0037 -5.1804 -5.1803 -4.4176 -4.4148 -4.3695 -4.3693 -2.2440 -2.2356 -2.1852 -2.1777 -2.1684 -2.1419 -2.0436 -2.0391 -1.6433 -1.6396 -1.6139 -1.5998 -1.5001 -1.4955 -1.4813 -1.4648 -1.3947 -1.3845 -1.3306 -1.3208 -0.8279 -0.8269 0.9881 0.9925 2.1185 2.1296 2.1893 2.2009 2.6619 2.6705 2.7740 2.7934 3.6196 3.6222 3.7443 3.7463 4.5556 4.5701 4.8581 4.8715 5.4771 5.4854 5.8726 5.8898 8.6507 8.6512 8.7826 8.7878 9.2492 9.2589 10.1023 10.1038 10.4827 10.5074 k = 0.0370 0.4696 0.4725 ( 6276 PWs) bands (ev): -5.9991 -5.9986 -5.1831 -5.1830 -4.4214 -4.4177 -4.3704 -4.3701 -2.2442 -2.2331 -2.1857 -2.1764 -2.1720 -2.1379 -2.0432 -2.0374 -1.6449 -1.6380 -1.6121 -1.5951 -1.5006 -1.4952 -1.4822 -1.4616 -1.3959 -1.3823 -1.3329 -1.3198 -0.8290 -0.8278 0.9555 0.9610 2.0866 2.1017 2.1768 2.1891 2.7002 2.7089 2.7653 2.7912 3.6439 3.6470 3.7739 3.7767 4.5671 4.5863 4.8661 4.8840 5.4812 5.4920 5.8687 5.8917 8.6525 8.6533 8.7445 8.7516 9.2444 9.2571 10.1372 10.1372 10.4129 10.4438 k = 0.0463 0.4575 0.4877 ( 6272 PWs) bands (ev): -5.9927 -5.9921 -5.1867 -5.1865 -4.4259 -4.4215 -4.3716 -4.3712 -2.2440 -2.2304 -2.1860 -2.1772 -2.1728 -2.1342 -2.0426 -2.0355 -1.6469 -1.6356 -1.6090 -1.5902 -1.5009 -1.4955 -1.4821 -1.4584 -1.3969 -1.3800 -1.3353 -1.3190 -0.8299 -0.8287 0.9163 0.9225 2.0494 2.0677 2.1595 2.1719 2.7433 2.7495 2.7626 2.7961 3.6745 3.6781 3.8081 3.8120 4.5820 4.6058 4.8772 4.8996 5.4869 5.5001 5.8641 5.8928 8.6541 8.6552 8.7022 8.7110 9.2384 9.2538 10.1636 10.1680 10.3428 10.3808 k = 0.0556 0.4454 0.5029 ( 6274 PWs) bands (ev): -5.9850 -5.9842 -5.1911 -5.1910 -4.4311 -4.4259 -4.3731 -4.3726 -2.2434 -2.2276 -2.1860 -2.1799 -2.1713 -2.1307 -2.0419 -2.0337 -1.6489 -1.6326 -1.6050 -1.5852 -1.5011 -1.4963 -1.4808 -1.4554 -1.3979 -1.3779 -1.3378 -1.3183 -0.8303 -0.8293 0.8715 0.8783 2.0081 2.0286 2.1365 2.1486 2.7592 2.7781 2.7978 2.8226 3.7113 3.7154 3.8450 3.8501 4.6000 4.6284 4.8916 4.9186 5.4943 5.5096 5.8586 5.8929 8.6476 8.6505 8.6673 8.6737 9.2309 9.2488 10.1587 10.1644 10.3017 10.3418 k = 0.0648 0.4333 0.5182 ( 6274 PWs) bands (ev): -5.9758 -5.9749 -5.1966 -5.1965 -4.4367 -4.4309 -4.3748 -4.3742 -2.2425 -2.2247 -2.1858 -2.1823 -2.1694 -2.1275 -2.0411 -2.0320 -1.6508 -1.6289 -1.6003 -1.5802 -1.5012 -1.4973 -1.4787 -1.4526 -1.3988 -1.3760 -1.3404 -1.3178 -0.8299 -0.8293 0.8225 0.8295 1.9637 1.9859 2.1075 2.1189 2.7686 2.7955 2.8498 2.8698 3.7538 3.7586 3.8827 3.8895 4.6207 4.6535 4.9093 4.9408 5.5035 5.5207 5.8519 5.8916 8.6071 8.6178 8.6654 8.6656 9.2214 9.2413 10.1011 10.1041 10.3137 10.3424 k = 0.0741 0.4212 0.5334 ( 6272 PWs) bands (ev): -5.9653 -5.9643 -5.2032 -5.2031 -4.4426 -4.4362 -4.3768 -4.3761 -2.2413 -2.2219 -2.1853 -2.1841 -2.1674 -2.1246 -2.0403 -2.0306 -1.6526 -1.6247 -1.5951 -1.5752 -1.5011 -1.4985 -1.4759 -1.4500 -1.3997 -1.3744 -1.3431 -1.3174 -0.8284 -0.8283 0.7701 0.7772 1.9171 1.9403 2.0728 2.0833 2.7855 2.8160 2.9036 2.9225 3.8017 3.8073 3.9199 3.9286 4.6437 4.6806 4.9305 4.9664 5.5144 5.5332 5.8437 5.8887 8.5638 8.5771 8.6674 8.6683 9.2092 9.2308 10.0128 10.0213 10.3404 10.3431 k = 0.0833 0.4091 0.5487 ( 6278 PWs) bands (ev): -5.9534 -5.9523 -5.2109 -5.2109 -4.4487 -4.4418 -4.3790 -4.3782 -2.2398 -2.2193 -2.1851 -2.1846 -2.1653 -2.1219 -2.0397 -2.0298 -1.6540 -1.6200 -1.5895 -1.5703 -1.5010 -1.4996 -1.4727 -1.4478 -1.4007 -1.3733 -1.3458 -1.3174 -0.8261 -0.8250 0.7154 0.7222 1.8691 1.8929 2.0332 2.0425 2.8100 2.8427 2.9574 2.9762 3.8545 3.8613 3.9554 3.9665 4.6685 4.7094 4.9551 4.9952 5.5271 5.5471 5.8336 5.8839 8.5233 8.5387 8.6700 8.6713 9.1936 9.2161 9.9170 9.9278 10.2868 10.3330 k = 0.0926 0.3970 0.5639 ( 6280 PWs) bands (ev): -5.9403 -5.9390 -5.2199 -5.2198 -4.4547 -4.4474 -4.3814 -4.3806 -2.2380 -2.2170 -2.1853 -2.1836 -2.1632 -2.1193 -2.0393 -2.0294 -1.6550 -1.6150 -1.5836 -1.5656 -1.5007 -1.5005 -1.4692 -1.4457 -1.4017 -1.3728 -1.3486 -1.3177 -0.8221 -0.8196 0.6591 0.6654 1.8204 1.8444 1.9896 1.9977 2.8415 2.8758 3.0102 3.0293 3.9111 3.9197 3.9886 4.0029 4.6948 4.7393 4.9830 5.0271 5.5415 5.5623 5.8215 5.8768 8.4871 8.5045 8.6725 8.6741 9.1737 9.1963 9.8184 9.8299 10.2145 10.2678 k = 0.1019 0.3849 0.5791 ( 6274 PWs) bands (ev): -5.9258 -5.9244 -5.2303 -5.2300 -4.4604 -4.4529 -4.3842 -4.3833 -2.2359 -2.2150 -2.1846 -2.1823 -2.1610 -2.1169 -2.0391 -2.0297 -1.6556 -1.6097 -1.5775 -1.5611 -1.5013 -1.5003 -1.4654 -1.4439 -1.4029 -1.3730 -1.3514 -1.3185 -0.8159 -0.8118 0.6017 0.6074 1.7717 1.7955 1.9433 1.9502 2.8789 2.9145 3.0612 3.0808 3.9690 3.9805 4.0202 4.0390 4.7225 4.7700 5.0140 5.0616 5.5575 5.5786 5.8074 5.8674 8.4560 8.4756 8.6744 8.6760 9.1484 9.1701 9.7186 9.7300 10.1465 10.2005 k = 0.1111 0.3728 0.5944 ( 6274 PWs) bands (ev): -5.9102 -5.9086 -5.2420 -5.2416 -4.4658 -4.4582 -4.3872 -4.3863 -2.2336 -2.2133 -2.1830 -2.1808 -2.1588 -2.1147 -2.0393 -2.0305 -1.6557 -1.6044 -1.5713 -1.5567 -1.5019 -1.4999 -1.4617 -1.4423 -1.4043 -1.3740 -1.3542 -1.3199 -0.8073 -0.8010 0.5438 0.5486 1.7235 1.7470 1.8952 1.9011 2.9214 2.9581 3.1099 3.1302 4.0212 4.0318 4.0611 4.0807 4.7512 4.8011 5.0475 5.0984 5.5749 5.5959 5.7911 5.8556 8.4308 8.4524 8.6754 8.6769 9.1170 9.1365 9.6187 9.6296 10.0870 10.1403 k = 0.1204 0.3607 0.6096 ( 6280 PWs) bands (ev): -5.8933 -5.8916 -5.2552 -5.2546 -4.4706 -4.4629 -4.3904 -4.3896 -2.2311 -2.2120 -2.1808 -2.1791 -2.1565 -2.1126 -2.0399 -2.0321 -1.6554 -1.5992 -1.5651 -1.5525 -1.5025 -1.4994 -1.4580 -1.4410 -1.4060 -1.3757 -1.3570 -1.3220 -0.7957 -0.7871 0.4856 0.4894 1.6765 1.6994 1.8463 1.8512 2.9678 3.0057 3.1560 3.1770 4.0587 4.0597 4.1234 4.1360 4.7812 4.8325 5.0833 5.1367 5.5935 5.6136 5.7730 5.8415 8.4115 8.4352 8.6752 8.6763 9.0790 9.0951 9.5194 9.5295 10.0383 10.0897 k = 0.1296 0.3486 0.6249 ( 6274 PWs) bands (ev): -5.8752 -5.8734 -5.2699 -5.2691 -4.4747 -4.4671 -4.3939 -4.3931 -2.2284 -2.2109 -2.1781 -2.1772 -2.1541 -2.1105 -2.0410 -2.0342 -1.6545 -1.5941 -1.5588 -1.5484 -1.5028 -1.4988 -1.4545 -1.4399 -1.4079 -1.3781 -1.3598 -1.3250 -0.7810 -0.7700 0.4275 0.4301 1.6312 1.6534 1.7973 1.8015 3.0172 3.0563 3.1996 3.2211 4.0797 4.0842 4.1903 4.2006 4.8128 4.8643 5.1205 5.1761 5.6128 5.6312 5.7535 5.8254 8.3982 8.4241 8.6736 8.6739 9.0344 9.0460 9.4212 9.4303 10.0015 10.0499 k = 0.1389 0.3365 0.6401 ( 6278 PWs) bands (ev): -5.8561 -5.8542 -5.2860 -5.2850 -4.4781 -4.4706 -4.3977 -4.3969 -2.2256 -2.2099 -2.1752 -2.1751 -2.1515 -2.1085 -2.0425 -2.0369 -1.6532 -1.5893 -1.5526 -1.5442 -1.5031 -1.4982 -1.4515 -1.4390 -1.4101 -1.3811 -1.3628 -1.3288 -0.7629 -0.7493 0.3696 0.3708 1.5882 1.6095 1.7490 1.7525 3.0686 3.1089 3.2406 3.2626 4.0961 4.1035 4.2556 4.2673 4.8469 4.8969 5.1585 5.2157 5.6322 5.6477 5.7339 5.8079 8.3907 8.4186 8.6693 8.6702 8.9840 8.9905 9.3248 9.3327 9.9765 10.0213 k = 0.1481 0.3244 0.6553 ( 6270 PWs) bands (ev): -5.8359 -5.8339 -5.3036 -5.3024 -4.4806 -4.4734 -4.4016 -4.4010 -2.2227 -2.2088 -2.1729 -2.1720 -2.1486 -2.1066 -2.0446 -2.0401 -1.6513 -1.5849 -1.5465 -1.5400 -1.5033 -1.4976 -1.4488 -1.4381 -1.4125 -1.3847 -1.3658 -1.3335 -0.7413 -0.7253 0.3118 0.3121 1.5478 1.5681 1.7019 1.7049 3.1210 3.1627 3.2791 3.3014 4.1099 4.1191 4.3161 4.3316 4.8847 4.9312 5.1965 5.2548 5.6507 5.6602 5.7167 5.7896 8.3885 8.4183 8.6621 8.6649 8.9296 8.9304 9.2307 9.2372 9.9627 10.0036 k = 0.1574 0.3123 0.6706 ( 6268 PWs) bands (ev): -5.8147 -5.8126 -5.3225 -5.3211 -4.4823 -4.4753 -4.4059 -4.4053 -2.2197 -2.2078 -2.1706 -2.1690 -2.1454 -2.1047 -2.0472 -2.0437 -1.6489 -1.5809 -1.5406 -1.5357 -1.5034 -1.4970 -1.4468 -1.4374 -1.4150 -1.3888 -1.3690 -1.3389 -0.7161 -0.6980 0.2531 0.2550 1.5106 1.5298 1.6564 1.6592 3.1732 3.2165 3.3153 3.3378 4.1220 4.1326 4.3687 4.3900 4.9275 4.9684 5.2340 5.2930 5.6616 5.6669 5.7090 5.7719 8.3911 8.4225 8.6521 8.6571 8.8685 8.8731 9.1394 9.1445 9.9590 9.9959 k = 0.1667 0.3002 0.6858 ( 6266 PWs) bands (ev): -5.7926 -5.7904 -5.3428 -5.3411 -4.4830 -4.4764 -4.4103 -4.4099 -2.2168 -2.2068 -2.1682 -2.1662 -2.1419 -2.1030 -2.0503 -2.0476 -1.6462 -1.5774 -1.5349 -1.5312 -1.5035 -1.4964 -1.4453 -1.4367 -1.4176 -1.3930 -1.3723 -1.3449 -0.6874 -0.6674 0.1947 0.1985 1.4769 1.4948 1.6131 1.6157 3.2241 3.2694 3.3494 3.3718 4.1332 4.1451 4.4107 4.4389 4.9767 5.0102 5.2703 5.3297 5.6491 5.6785 5.7135 5.7567 8.3977 8.4305 8.6388 8.6464 8.8079 8.8174 9.0516 9.0551 9.9639 9.9971 k = 0.1759 0.2881 0.7011 ( 6264 PWs) bands (ev): -5.7696 -5.7673 -5.3642 -5.3624 -4.4830 -4.4767 -4.4149 -4.4147 -2.2139 -2.2057 -2.1657 -2.1637 -2.1379 -2.1013 -2.0539 -2.0518 -1.6432 -1.5743 -1.5295 -1.5267 -1.5035 -1.4958 -1.4446 -1.4361 -1.4201 -1.3974 -1.3756 -1.3513 -0.6554 -0.6339 0.1368 0.1424 1.4471 1.4637 1.5723 1.5749 3.2725 3.3200 3.3817 3.4034 4.1446 4.1578 4.4402 4.4757 5.0327 5.0578 5.3049 5.3645 5.6314 5.6820 5.7212 5.7468 8.4076 8.4412 8.6215 8.6313 8.7523 8.7653 8.9680 8.9698 9.9760 10.0058 k = 0.1852 0.2760 0.7163 ( 6268 PWs) bands (ev): -5.7459 -5.7435 -5.3868 -5.3848 -4.4820 -4.4762 -4.4197 -4.4197 -2.2111 -2.2047 -2.1632 -2.1617 -2.1334 -2.0998 -2.0579 -2.0560 -1.6400 -1.5718 -1.5246 -1.5222 -1.5034 -1.4953 -1.4446 -1.4354 -1.4223 -1.4018 -1.3790 -1.3580 -0.6201 -0.5977 0.0794 0.0870 1.4214 1.4366 1.5343 1.5370 3.3170 3.3671 3.4123 3.4327 4.1571 4.1716 4.4568 4.4986 5.0947 5.1117 5.3374 5.3972 5.6135 5.6760 5.7266 5.7431 8.4199 8.4539 8.5997 8.6096 8.7065 8.7198 8.8893 8.8893 9.9941 10.0208 k = 0.1944 0.2639 0.7316 ( 6270 PWs) bands (ev): -5.7214 -5.7189 -5.4104 -5.4083 -4.4803 -4.4749 -4.4249 -4.4247 -2.2085 -2.2037 -2.1607 -2.1600 -2.1287 -2.0984 -2.0624 -2.0602 -1.6367 -1.5696 -1.5202 -1.5179 -1.5029 -1.4947 -1.4453 -1.4347 -1.4243 -1.4058 -1.3823 -1.3648 -0.5819 -0.5589 0.0224 0.0320 1.4000 1.4138 1.4994 1.5024 3.3563 3.4095 3.4412 3.4596 4.1716 4.1877 4.4611 4.5075 5.1609 5.1710 5.3674 5.4278 5.5967 5.6640 5.7276 5.7412 8.4339 8.4676 8.5741 8.5808 8.6733 8.6825 8.8147 8.8163 10.0168 10.0406 k = 0.2037 0.2517 0.7468 ( 6272 PWs) bands (ev): -5.6963 -5.6938 -5.4348 -5.4325 -4.4779 -4.4729 -4.4301 -4.4297 -2.2062 -2.2028 -2.1586 -2.1584 -2.1235 -2.0972 -2.0672 -2.0642 -1.6335 -1.5678 -1.5165 -1.5142 -1.5019 -1.4941 -1.4468 -1.4340 -1.4258 -1.4094 -1.3854 -1.3715 -0.5410 -0.5178 -0.0340 -0.0223 1.3832 1.3956 1.4680 1.4713 3.3895 3.4461 3.4679 3.4838 4.1890 4.2071 4.4547 4.5037 5.2286 5.2335 5.3948 5.4564 5.5816 5.6500 5.7229 5.7363 8.4489 8.4813 8.5474 8.5495 8.6501 8.6527 8.7471 8.7502 10.0432 10.0643 k = 0.2130 0.2396 0.7620 ( 6278 PWs) bands (ev): -5.6707 -5.6681 -5.4600 -5.4576 -4.4749 -4.4702 -4.4354 -4.4348 -2.2043 -2.2020 -2.1575 -2.1562 -2.1182 -2.0962 -2.0724 -2.0678 -1.6305 -1.5664 -1.5136 -1.5117 -1.5000 -1.4935 -1.4488 -1.4332 -1.4270 -1.4121 -1.3881 -1.3779 -0.4976 -0.4747 -0.0897 -0.0759 1.3710 1.3820 1.4401 1.4441 3.4164 3.4765 3.4917 3.5047 4.2099 4.2302 4.4393 4.4891 5.2948 5.2963 5.4195 5.4835 5.5683 5.6359 5.7118 5.7257 8.4640 8.4930 8.5229 8.5236 8.6278 8.6318 8.6882 8.6923 10.0721 10.0908 k = 0.2222 0.2275 0.7773 ( 6276 PWs) bands (ev): -5.6446 -5.6420 -5.4857 -5.4832 -4.4713 -4.4670 -4.4407 -4.4398 -2.2026 -2.2013 -2.1567 -2.1543 -2.1126 -2.0954 -2.0778 -2.0708 -1.6279 -1.5653 -1.5116 -1.5103 -1.4973 -1.4928 -1.4511 -1.4326 -1.4279 -1.4138 -1.3903 -1.3837 -0.4520 -0.4298 -0.1447 -0.1288 1.3635 1.3732 1.4162 1.4209 3.4370 3.5004 3.5114 3.5213 4.2343 4.2570 4.4170 4.4664 5.3557 5.3559 5.4418 5.5100 5.5571 5.6227 5.6944 5.7083 8.4781 8.4945 8.5061 8.5118 8.6055 8.6144 8.6415 8.6447 10.1025 10.1190 k = 0.2315 0.2154 0.7925 ( 6280 PWs) bands (ev): -5.6183 -5.6156 -5.5119 -5.5093 -4.4674 -4.4633 -4.4459 -4.4448 -2.2014 -2.2009 -2.1561 -2.1528 -2.1068 -2.0949 -2.0835 -2.0732 -1.6259 -1.5646 -1.5103 -1.5097 -1.4945 -1.4922 -1.4533 -1.4322 -1.4285 -1.4145 -1.3919 -1.3886 -0.4044 -0.3836 -0.1989 -0.1807 1.3608 1.3689 1.3964 1.4020 3.4516 3.5184 3.5261 3.5326 4.2622 4.2869 4.3896 4.4383 5.4060 5.4066 5.4619 5.5374 5.5490 5.6115 5.6717 5.6842 8.4870 8.4882 8.4980 8.5131 8.5841 8.5947 8.6105 8.6136 10.1337 10.1482 k = 0.2407 0.2033 0.8078 ( 6272 PWs) bands (ev): -5.5917 -5.5891 -5.5384 -5.5357 -4.4634 -4.4593 -4.4505 -4.4496 -2.2007 -2.2005 -2.1558 -2.1519 -2.1010 -2.0945 -2.0892 -2.0746 -1.6246 -1.5641 -1.5095 -1.5094 -1.4924 -1.4918 -1.4549 -1.4319 -1.4288 -1.4145 -1.3928 -1.3919 -0.3551 -0.3368 -0.2521 -0.2308 1.3627 1.3691 1.3808 1.3879 3.4603 3.5307 3.5350 3.5381 4.2924 4.3169 4.3593 4.4088 5.4394 5.4401 5.4791 5.5467 5.5660 5.6042 5.6482 5.6557 8.4867 8.4909 8.4993 8.5067 8.5678 8.5831 8.5901 8.5991 10.1645 10.1775 k = 0.2500 0.1912 0.8230 ( 6276 PWs) bands (ev): -5.5660 -5.5641 -5.5641 -5.5607 -4.4612 -4.4562 -4.4530 -4.4530 -2.2004 -2.2004 -2.1557 -2.1516 -2.0957 -2.0944 -2.0944 -2.0752 -1.6241 -1.5639 -1.5094 -1.5093 -1.4916 -1.4916 -1.4555 -1.4319 -1.4290 -1.4143 -1.3932 -1.3932 -0.3067 -0.3018 -0.3018 -0.2669 1.3679 1.3711 1.3711 1.3813 3.4632 3.5366 3.5380 3.5380 4.3173 4.3342 4.3342 4.3915 5.4510 5.4510 5.4864 5.5487 5.5824 5.6043 5.6364 5.6364 8.4931 8.4931 8.4965 8.4987 8.5628 8.5826 8.5826 8.5924 10.1899 10.2008 k = 0.2500 0.1912 0.8230 ( 6276 PWs) bands (ev): -5.5660 -5.5641 -5.5641 -5.5607 -4.4612 -4.4562 -4.4530 -4.4530 -2.2004 -2.2004 -2.1557 -2.1516 -2.0957 -2.0944 -2.0944 -2.0752 -1.6241 -1.5639 -1.5094 -1.5093 -1.4916 -1.4916 -1.4555 -1.4319 -1.4290 -1.4143 -1.3932 -1.3932 -0.3067 -0.3018 -0.3018 -0.2669 1.3679 1.3711 1.3711 1.3813 3.4632 3.5366 3.5380 3.5380 4.3173 4.3342 4.3342 4.3915 5.4510 5.4510 5.4864 5.5487 5.5824 5.6043 5.6364 5.6364 8.4931 8.4931 8.4965 8.4987 8.5628 8.5826 8.5826 8.5924 10.1899 10.2008 k = 0.2632 0.2013 0.8103 ( 6270 PWs) bands (ev): -5.5800 -5.5775 -5.5499 -5.5474 -4.4620 -4.4577 -4.4519 -4.4516 -2.2011 -2.1997 -2.1559 -2.1517 -2.0981 -2.0963 -2.0901 -2.0749 -1.6241 -1.5639 -1.5126 -1.5064 -1.4941 -1.4893 -1.4554 -1.4328 -1.4279 -1.4140 -1.3940 -1.3915 -0.3347 -0.3188 -0.2748 -0.2509 1.3669 1.3742 1.3756 1.3854 3.4580 3.5286 3.5301 3.5364 4.3043 4.3296 4.3515 4.4028 5.4432 5.4526 5.4835 5.5428 5.5843 5.6051 5.6391 5.6481 8.4495 8.4653 8.4798 8.4901 8.5905 8.5945 8.6167 8.6170 10.1748 10.1889 k = 0.2763 0.2113 0.7977 ( 6270 PWs) bands (ev): -5.5935 -5.5911 -5.5364 -5.5340 -4.4638 -4.4599 -4.4496 -4.4493 -2.2018 -2.1989 -2.1565 -2.1523 -2.1011 -2.0986 -2.0848 -2.0743 -1.6242 -1.5638 -1.5163 -1.5039 -1.4964 -1.4880 -1.4552 -1.4342 -1.4263 -1.4134 -1.3940 -1.3889 -0.3646 -0.3462 -0.2472 -0.2262 1.3712 1.3817 1.3854 1.3951 3.4418 3.5048 3.5131 3.5284 4.2856 4.3151 4.3847 4.4319 5.4312 5.4477 5.4771 5.5287 5.5938 5.6099 5.6504 5.6673 8.3838 8.4031 8.4519 8.4655 8.6324 8.6358 8.6675 8.6686 10.1533 10.1694 k = 0.2895 0.2214 0.7850 ( 6277 PWs) bands (ev): -5.6056 -5.6033 -5.5243 -5.5221 -4.4658 -4.4621 -4.4471 -4.4470 -2.2025 -2.1980 -2.1575 -2.1531 -2.1043 -2.1011 -2.0790 -2.0737 -1.6244 -1.5637 -1.5204 -1.5029 -1.4976 -1.4877 -1.4546 -1.4354 -1.4249 -1.4128 -1.3929 -1.3854 -0.3929 -0.3741 -0.2216 -0.2020 1.3816 1.3946 1.3989 1.4089 3.4138 3.4685 3.4910 3.5140 4.2682 4.2978 4.4226 4.4683 5.4173 5.4372 5.4702 5.5132 5.6082 5.6206 5.6656 5.6885 8.3130 8.3335 8.4224 8.4365 8.6767 8.6841 8.7253 8.7259 10.1306 10.1484 k = 0.3026 0.2315 0.7723 ( 6277 PWs) bands (ev): -5.6163 -5.6141 -5.5139 -5.5119 -4.4676 -4.4640 -4.4449 -4.4447 -2.2032 -2.1971 -2.1587 -2.1541 -2.1076 -2.1038 -2.0732 -2.0732 -1.6245 -1.5636 -1.5248 -1.5040 -1.4970 -1.4882 -1.4537 -1.4361 -1.4239 -1.4124 -1.3908 -1.3809 -0.4189 -0.4005 -0.1981 -0.1796 1.3972 1.4123 1.4160 1.4262 3.3755 3.4237 3.4655 3.4929 4.2537 4.2812 4.4602 4.5052 5.4027 5.4233 5.4641 5.4993 5.6250 5.6354 5.6838 5.7108 8.2403 8.2610 8.3933 8.4071 8.7236 8.7338 8.7854 8.7858 10.1077 10.1271 k = 0.3158 0.2415 0.7596 ( 6276 PWs) bands (ev): -5.6253 -5.6233 -5.5051 -5.5033 -4.4692 -4.4657 -4.4432 -4.4425 -2.2038 -2.1961 -2.1601 -2.1554 -2.1110 -2.1067 -2.0727 -2.0674 -1.6248 -1.5635 -1.5296 -1.5062 -1.4959 -1.4893 -1.4526 -1.4364 -1.4232 -1.4122 -1.3878 -1.3757 -0.4413 -0.4242 -0.1769 -0.1594 1.4172 1.4342 1.4367 1.4469 3.3298 3.3735 3.4365 3.4651 4.2428 4.2667 4.4937 4.5382 5.3882 5.4080 5.4589 5.4875 5.6419 5.6504 5.7068 5.7350 8.1676 8.1878 8.3652 8.3785 8.7719 8.7846 8.8461 8.8476 10.0851 10.1064 k = 0.3289 0.2516 0.7470 ( 6278 PWs) bands (ev): -5.6329 -5.6309 -5.4979 -5.4964 -4.4706 -4.4671 -4.4418 -4.4407 -2.2043 -2.1952 -2.1617 -2.1567 -2.1144 -2.1098 -2.0724 -2.0620 -1.6250 -1.5637 -1.5345 -1.5085 -1.4951 -1.4909 -1.4514 -1.4364 -1.4228 -1.4123 -1.3844 -1.3701 -0.4594 -0.4441 -0.1582 -0.1416 1.4409 1.4593 1.4606 1.4707 3.2798 3.3203 3.4035 3.4313 4.2356 4.2549 4.5202 4.5646 5.3746 5.3927 5.4546 5.4778 5.6570 5.6622 5.7364 5.7623 8.0967 8.1158 8.3383 8.3511 8.8210 8.8359 8.9072 8.9100 10.0631 10.0864 k = 0.3421 0.2617 0.7343 ( 6272 PWs) bands (ev): -5.6388 -5.6370 -5.4926 -5.4912 -4.4717 -4.4682 -4.4409 -4.4393 -2.2046 -2.1942 -2.1633 -2.1582 -2.1179 -2.1130 -2.0722 -2.0570 -1.6253 -1.5644 -1.5392 -1.5108 -1.4947 -1.4927 -1.4500 -1.4359 -1.4227 -1.4125 -1.3808 -1.3644 -0.4724 -0.4592 -0.1420 -0.1263 1.4673 1.4868 1.4875 1.4974 3.2280 3.2660 3.3669 3.3924 4.2319 4.2458 4.5385 4.5826 5.3621 5.3780 5.4512 5.4701 5.6685 5.6696 5.7719 5.7931 8.0294 8.0469 8.3128 8.3251 8.8706 8.8875 8.9684 8.9725 10.0415 10.0672 k = 0.3553 0.2717 0.7216 ( 6268 PWs) bands (ev): -5.6431 -5.6414 -5.4890 -5.4879 -4.4725 -4.4690 -4.4404 -4.4383 -2.2049 -2.1934 -2.1649 -2.1597 -2.1215 -2.1166 -2.0721 -2.0528 -1.6256 -1.5659 -1.5432 -1.5130 -1.4947 -1.4946 -1.4487 -1.4353 -1.4228 -1.4128 -1.3773 -1.3592 -0.4794 -0.4688 -0.1284 -0.1137 1.4957 1.5157 1.5168 1.5266 3.1761 3.2121 3.3272 3.3495 4.2311 4.2392 4.5479 4.5917 5.3512 5.3645 5.4487 5.4641 5.6729 5.6757 5.8104 5.8261 7.9680 7.9833 8.2886 8.3005 8.9203 8.9390 9.0293 9.0347 10.0201 10.0487 k = 0.3684 0.2818 0.7090 ( 6276 PWs) bands (ev): -5.6457 -5.6442 -5.4873 -5.4863 -4.4730 -4.4695 -4.4405 -4.4380 -2.2050 -2.1928 -2.1663 -2.1612 -2.1250 -2.1206 -2.0721 -2.0494 -1.6259 -1.5689 -1.5461 -1.5153 -1.4965 -1.4951 -1.4475 -1.4347 -1.4230 -1.4133 -1.3743 -1.3548 -0.4801 -0.4720 -0.1175 -0.1037 1.5255 1.5455 1.5479 1.5574 3.1256 3.1600 3.2855 3.3041 4.2326 4.2347 4.5484 4.5919 5.3420 5.3526 5.4472 5.4597 5.6726 5.6789 5.8486 5.8587 7.9148 7.9274 8.2658 8.2774 8.9699 8.9903 9.0894 9.0961 9.9984 10.0302 k = 0.3816 0.2919 0.6963 ( 6279 PWs) bands (ev): -5.6467 -5.6453 -5.4874 -5.4867 -4.4731 -4.4697 -4.4410 -4.4381 -2.2050 -2.1925 -2.1674 -2.1628 -2.1286 -2.1248 -2.0721 -2.0470 -1.6261 -1.5734 -1.5475 -1.5175 -1.4983 -1.4957 -1.4464 -1.4342 -1.4232 -1.4137 -1.3718 -1.3515 -0.4741 -0.4686 -0.1093 -0.0965 1.5560 1.5756 1.5800 1.5891 3.0780 3.1109 3.2429 3.2574 4.2316 4.2356 4.5406 4.5836 5.3347 5.3426 5.4467 5.4566 5.6693 5.6784 5.8829 5.8874 7.8724 7.8819 8.2445 8.2559 9.0191 9.0410 9.1481 9.1560 9.9758 10.0113 k = 0.3947 0.3019 0.6836 ( 6283 PWs) bands (ev): -5.6460 -5.6447 -5.4895 -5.4889 -4.4730 -4.4695 -4.4421 -4.4388 -2.2049 -2.1925 -2.1681 -2.1644 -2.1321 -2.1294 -2.0720 -2.0457 -1.6262 -1.5791 -1.5478 -1.5198 -1.4998 -1.4965 -1.4455 -1.4340 -1.4231 -1.4141 -1.3698 -1.3494 -0.4612 -0.4581 -0.1037 -0.0920 1.5866 1.6054 1.6122 1.6207 3.0343 3.0658 3.2003 3.2107 4.2297 4.2395 4.5252 4.5677 5.3295 5.3347 5.4470 5.4545 5.6633 5.6749 5.9089 5.9096 7.8432 7.8492 8.2246 8.2358 9.0677 9.0910 9.2049 9.2137 9.9517 9.9914 k = 0.4079 0.3120 0.6709 ( 6286 PWs) bands (ev): -5.6435 -5.6424 -5.4935 -5.4931 -4.4724 -4.4690 -4.4435 -4.4400 -2.2046 -2.1930 -2.1683 -2.1660 -2.1355 -2.1342 -2.0719 -2.0454 -1.6263 -1.5854 -1.5474 -1.5220 -1.5012 -1.4974 -1.4449 -1.4344 -1.4228 -1.4144 -1.3683 -1.3486 -0.4417 -0.4406 -0.1008 -0.0901 1.6166 1.6343 1.6437 1.6513 2.9957 3.0258 3.1589 3.1650 4.2283 4.2437 4.5030 4.5449 5.3265 5.3293 5.4479 5.4531 5.6554 5.6693 5.9201 5.9257 7.8292 7.8317 8.2061 8.2173 9.1156 9.1399 9.2589 9.2684 9.9257 9.9699 k = 0.4211 0.3221 0.6583 ( 6282 PWs) bands (ev): -5.6394 -5.6383 -5.4995 -5.4992 -4.4715 -4.4682 -4.4453 -4.4417 -2.2043 -2.1940 -2.1680 -2.1675 -2.1392 -2.1388 -2.0715 -2.0461 -1.6262 -1.5918 -1.5465 -1.5243 -1.5022 -1.4982 -1.4446 -1.4354 -1.4220 -1.4147 -1.3672 -1.3489 -0.4162 -0.4156 -0.1006 -0.0910 1.6453 1.6616 1.6736 1.6800 2.9632 2.9919 3.1196 3.1214 4.2273 4.2478 4.4749 4.5162 5.3257 5.3263 5.4488 5.4517 5.6465 5.6626 5.9188 5.9288 7.8308 7.8317 8.1891 8.2004 9.1624 9.1875 9.3090 9.3188 9.8979 9.9466 k = 0.4342 0.3321 0.6456 ( 6286 PWs) bands (ev): -5.6335 -5.6326 -5.5074 -5.5073 -4.4703 -4.4670 -4.4474 -4.4437 -2.2040 -2.1953 -2.1689 -2.1673 -2.1443 -2.1421 -2.0711 -2.0479 -1.6262 -1.5982 -1.5455 -1.5266 -1.5030 -1.4991 -1.4446 -1.4370 -1.4209 -1.4148 -1.3663 -1.3501 -0.3853 -0.3836 -0.1031 -0.0945 1.6720 1.6865 1.7010 1.7062 2.9377 2.9649 3.0806 3.0831 4.2263 4.2514 4.4416 4.4824 5.3257 5.3269 5.4485 5.4493 5.6379 5.6561 5.9041 5.9178 7.8468 7.8509 8.1736 8.1850 9.2080 9.2336 9.3535 9.3634 9.8690 9.9219 k = 0.4474 0.3422 0.6329 ( 6280 PWs) bands (ev): -5.6258 -5.6251 -5.5174 -5.5174 -4.4687 -4.4655 -4.4496 -4.4459 -2.2036 -2.1969 -2.1701 -2.1663 -2.1494 -2.1452 -2.0705 -2.0504 -1.6259 -1.6044 -1.5443 -1.5290 -1.5034 -1.4998 -1.4450 -1.4391 -1.4195 -1.4148 -1.3655 -1.3521 -0.3486 -0.3459 -0.1083 -0.1006 1.6964 1.7087 1.7254 1.7292 2.9199 2.9457 3.0434 3.0500 4.2252 4.2544 4.4040 4.4441 5.3271 5.3297 5.4447 5.4459 5.6316 5.6515 5.8765 5.8930 7.8790 7.8858 8.1595 8.1711 9.2520 9.2777 9.3903 9.4001 9.8409 9.8975 k = 0.4605 0.3522 0.6203 ( 6282 PWs) bands (ev): -5.6165 -5.6158 -5.5295 -5.5295 -4.4668 -4.4637 -4.4518 -4.4483 -2.2034 -2.1987 -2.1712 -2.1653 -2.1541 -2.1482 -2.0697 -2.0538 -1.6257 -1.6102 -1.5431 -1.5316 -1.5036 -1.5004 -1.4457 -1.4415 -1.4180 -1.4146 -1.3647 -1.3544 -0.3067 -0.3034 -0.1160 -0.1094 1.7179 1.7277 1.7460 1.7485 2.9105 2.9346 3.0103 3.0208 4.2240 4.2566 4.3626 4.4022 5.3300 5.3334 5.4370 5.4396 5.6292 5.6500 5.8377 5.8561 7.9253 7.9343 8.1470 8.1589 9.2940 9.3194 9.4161 9.4263 9.8172 9.8759 k = 0.4737 0.3623 0.6076 ( 6284 PWs) bands (ev): -5.6053 -5.6049 -5.5436 -5.5435 -4.4646 -4.4617 -4.4539 -4.4507 -2.2034 -2.2005 -2.1719 -2.1654 -2.1575 -2.1511 -2.0687 -2.0577 -1.6254 -1.6156 -1.5420 -1.5343 -1.5033 -1.5010 -1.4467 -1.4441 -1.4165 -1.4143 -1.3639 -1.3570 -0.2604 -0.2567 -0.1264 -0.1207 1.7365 1.7433 1.7627 1.7640 2.9094 2.9316 2.9818 2.9955 4.2226 4.2576 4.3184 4.3573 5.3328 5.3362 5.4263 5.4291 5.6316 5.6518 5.7914 5.8101 7.9829 7.9936 8.1361 8.1482 9.3335 9.3579 9.4274 9.4392 9.8024 9.8607 k = 0.4868 0.3724 0.5949 ( 6284 PWs) bands (ev): -5.5925 -5.5922 -5.5597 -5.5595 -4.4621 -4.4600 -4.4552 -4.4528 -2.2036 -2.2024 -2.1724 -2.1682 -2.1578 -2.1538 -2.0676 -2.0619 -1.6251 -1.6204 -1.5409 -1.5371 -1.5027 -1.5014 -1.4480 -1.4467 -1.4149 -1.4139 -1.3630 -1.3595 -0.2107 -0.2069 -0.1389 -0.1341 1.7521 1.7556 1.7754 1.7758 2.9163 2.9349 2.9596 2.9743 4.2209 4.2545 4.2749 4.3101 5.3328 5.3351 5.4143 5.4161 5.6372 5.6527 5.7452 5.7603 8.0486 8.0606 8.1268 8.1392 9.3694 9.3916 9.4223 9.4371 9.8000 9.8542 k = 0.5000 0.3824 0.5823 ( 6278 PWs) bands (ev): -5.5794 -5.5794 -5.5761 -5.5761 -4.4598 -4.4598 -4.4543 -4.4543 -2.2042 -2.2042 -2.1725 -2.1725 -2.1562 -2.1562 -2.0664 -2.0664 -1.6248 -1.6248 -1.5401 -1.5401 -1.5017 -1.5017 -1.4493 -1.4493 -1.4134 -1.4134 -1.3619 -1.3619 -0.1645 -0.1645 -0.1438 -0.1438 1.7649 1.7649 1.7847 1.7847 2.9293 2.9293 2.9581 2.9581 4.2184 4.2184 4.2617 4.2617 5.3255 5.3255 5.4037 5.4037 5.6367 5.6367 5.7197 5.7197 8.1185 8.1185 8.1324 8.1324 9.3994 9.3994 9.4216 9.4216 9.8103 9.8103 k = 0.5000 0.3824 0.5823 ( 6278 PWs) bands (ev): -5.5794 -5.5794 -5.5761 -5.5761 -4.4598 -4.4598 -4.4543 -4.4543 -2.2042 -2.2042 -2.1725 -2.1725 -2.1562 -2.1562 -2.0664 -2.0664 -1.6248 -1.6248 -1.5401 -1.5401 -1.5017 -1.5017 -1.4493 -1.4493 -1.4134 -1.4134 -1.3619 -1.3619 -0.1645 -0.1645 -0.1438 -0.1438 1.7649 1.7649 1.7847 1.7847 2.9293 2.9293 2.9581 2.9581 4.2184 4.2184 4.2617 4.2617 5.3255 5.3255 5.4037 5.4037 5.6367 5.6367 5.7197 5.7197 8.1185 8.1185 8.1324 8.1324 9.3994 9.3994 9.4216 9.4216 9.8103 9.8103 k = 0.5000 0.3824 0.5607 ( 6272 PWs) bands (ev): -5.5826 -5.5826 -5.5794 -5.5794 -4.4583 -4.4583 -4.4531 -4.4531 -2.2065 -2.2065 -2.1766 -2.1766 -2.1558 -2.1558 -2.0691 -2.0691 -1.6278 -1.6278 -1.5421 -1.5421 -1.5007 -1.5007 -1.4526 -1.4526 -1.4116 -1.4116 -1.3628 -1.3628 -0.1342 -0.1342 -0.1127 -0.1127 1.7825 1.7825 1.7989 1.7989 2.9288 2.9288 2.9585 2.9585 4.1750 4.1750 4.2195 4.2195 5.3009 5.3009 5.3843 5.3843 5.6027 5.6027 5.6912 5.6912 8.1732 8.1732 8.1882 8.1882 9.3934 9.3934 9.4157 9.4157 9.7726 9.7726 k = 0.5000 0.3824 0.5391 ( 6256 PWs) bands (ev): -5.5863 -5.5863 -5.5832 -5.5832 -4.4562 -4.4562 -4.4512 -4.4512 -2.2089 -2.2089 -2.1805 -2.1805 -2.1549 -2.1549 -2.0718 -2.0718 -1.6303 -1.6303 -1.5442 -1.5442 -1.4992 -1.4992 -1.4557 -1.4557 -1.4100 -1.4100 -1.3636 -1.3636 -0.1058 -0.1058 -0.0832 -0.0832 1.8025 1.8025 1.8154 1.8154 2.9279 2.9279 2.9585 2.9585 4.1340 4.1340 4.1790 4.1790 5.2743 5.2743 5.3621 5.3621 5.5721 5.5721 5.6648 5.6648 8.2262 8.2262 8.2427 8.2427 9.3761 9.3761 9.3988 9.3988 9.7334 9.7334 k = 0.5000 0.3824 0.5176 ( 6264 PWs) bands (ev): -5.5904 -5.5904 -5.5875 -5.5875 -4.4534 -4.4534 -4.4486 -4.4486 -2.2115 -2.2115 -2.1840 -2.1840 -2.1538 -2.1538 -2.0745 -2.0745 -1.6323 -1.6323 -1.5465 -1.5465 -1.4976 -1.4976 -1.4585 -1.4585 -1.4087 -1.4087 -1.3645 -1.3645 -0.0799 -0.0799 -0.0562 -0.0562 1.8252 1.8252 1.8342 1.8342 2.9266 2.9266 2.9581 2.9581 4.0960 4.0960 4.1411 4.1411 5.2458 5.2458 5.3366 5.3366 5.5457 5.5457 5.6410 5.6410 8.2757 8.2757 8.2936 8.2936 9.3519 9.3519 9.3748 9.3748 9.6911 9.6911 k = 0.5000 0.3824 0.4960 ( 6268 PWs) bands (ev): -5.5951 -5.5951 -5.5922 -5.5922 -4.4499 -4.4499 -4.4452 -4.4452 -2.2143 -2.2143 -2.1868 -2.1868 -2.1526 -2.1526 -2.0768 -2.0768 -1.6338 -1.6338 -1.5488 -1.5488 -1.4959 -1.4959 -1.4610 -1.4610 -1.4076 -1.4076 -1.3653 -1.3653 -0.0572 -0.0572 -0.0322 -0.0322 1.8506 1.8506 1.8560 1.8560 2.9249 2.9249 2.9573 2.9573 4.0618 4.0618 4.1063 4.1063 5.2156 5.2156 5.3078 5.3078 5.5242 5.5242 5.6202 5.6202 8.3192 8.3192 8.3388 8.3388 9.3252 9.3252 9.3483 9.3483 9.6447 9.6447 k = 0.5000 0.3824 0.4744 ( 6270 PWs) bands (ev): -5.6002 -5.6002 -5.5975 -5.5975 -4.4456 -4.4456 -4.4409 -4.4409 -2.2170 -2.2170 -2.1890 -2.1890 -2.1513 -2.1513 -2.0787 -2.0787 -1.6349 -1.6349 -1.5509 -1.5509 -1.4941 -1.4941 -1.4631 -1.4631 -1.4069 -1.4069 -1.3658 -1.3658 -0.0383 -0.0383 -0.0120 -0.0120 1.8775 1.8775 1.8819 1.8819 2.9227 2.9227 2.9561 2.9561 4.0318 4.0318 4.0752 4.0752 5.1839 5.1839 5.2761 5.2761 5.5075 5.5075 5.6025 5.6025 8.3543 8.3543 8.3754 8.3754 9.3004 9.3004 9.3234 9.3234 9.5943 9.5943 k = 0.5000 0.3824 0.4529 ( 6272 PWs) bands (ev): -5.6058 -5.6058 -5.6032 -5.6032 -4.4406 -4.4406 -4.4359 -4.4359 -2.2198 -2.2198 -2.1906 -2.1906 -2.1499 -2.1499 -2.0801 -2.0801 -1.6356 -1.6356 -1.5528 -1.5528 -1.4924 -1.4924 -1.4647 -1.4647 -1.4066 -1.4066 -1.3661 -1.3661 -0.0237 -0.0237 0.0039 0.0039 1.9053 1.9053 1.9131 1.9131 2.9200 2.9200 2.9546 2.9546 4.0064 4.0064 4.0480 4.0480 5.1511 5.1511 5.2419 5.2419 5.4954 5.4954 5.5880 5.5880 8.3786 8.3786 8.4011 8.4011 9.2805 9.2805 9.3031 9.3031 9.5412 9.5412 k = 0.5000 0.3824 0.4313 ( 6280 PWs) bands (ev): -5.6118 -5.6118 -5.6093 -5.6093 -4.4349 -4.4349 -4.4300 -4.4300 -2.2224 -2.2224 -2.1918 -2.1918 -2.1485 -2.1485 -2.0809 -2.0809 -1.6360 -1.6360 -1.5545 -1.5545 -1.4908 -1.4908 -1.4657 -1.4657 -1.4065 -1.4065 -1.3662 -1.3662 -0.0138 -0.0138 0.0152 0.0152 1.9354 1.9354 1.9480 1.9480 2.9170 2.9170 2.9528 2.9528 3.9857 3.9857 4.0252 4.0252 5.1173 5.1173 5.2061 5.2061 5.4874 5.4874 5.5766 5.5766 8.3906 8.3906 8.4139 8.4139 9.2664 9.2664 9.2882 9.2882 9.4881 9.4881 k = 0.5000 0.3824 0.4097 ( 6284 PWs) bands (ev): -5.6182 -5.6182 -5.6157 -5.6157 -4.4285 -4.4285 -4.4233 -4.4233 -2.2248 -2.2248 -2.1924 -2.1924 -2.1469 -2.1469 -2.0810 -2.0810 -1.6361 -1.6361 -1.5560 -1.5560 -1.4895 -1.4895 -1.4661 -1.4661 -1.4069 -1.4069 -1.3659 -1.3659 -0.0086 -0.0086 0.0216 0.0216 1.9682 1.9682 1.9862 1.9862 2.9137 2.9137 2.9508 2.9508 3.9699 3.9699 4.0069 4.0069 5.0830 5.0830 5.1692 5.1692 5.4831 5.4831 5.5683 5.5683 8.3896 8.3896 8.4133 8.4133 9.2547 9.2547 9.2752 9.2752 9.4409 9.4409 k = 0.5000 0.3824 0.3882 ( 6272 PWs) bands (ev): -5.6249 -5.6249 -5.6225 -5.6225 -4.4214 -4.4214 -4.4159 -4.4159 -2.2269 -2.2269 -2.1927 -2.1927 -2.1452 -2.1452 -2.0805 -2.0805 -1.6360 -1.6360 -1.5571 -1.5571 -1.4886 -1.4886 -1.4657 -1.4657 -1.4074 -1.4074 -1.3653 -1.3653 -0.0084 -0.0084 0.0229 0.0229 2.0038 2.0038 2.0272 2.0272 2.9100 2.9100 2.9488 2.9488 3.9590 3.9590 3.9933 3.9933 5.0483 5.0483 5.1317 5.1317 5.4821 5.4821 5.5629 5.5629 8.3767 8.3767 8.4001 8.4001 9.2367 9.2367 9.2545 9.2545 9.4108 9.4108 k = 0.5000 0.3824 0.3666 ( 6268 PWs) bands (ev): -5.6319 -5.6319 -5.6295 -5.6295 -4.4138 -4.4138 -4.4078 -4.4078 -2.2287 -2.2287 -2.1929 -2.1929 -2.1432 -2.1432 -2.0793 -2.0793 -1.6357 -1.6357 -1.5579 -1.5579 -1.4879 -1.4879 -1.4647 -1.4647 -1.4083 -1.4083 -1.3645 -1.3645 -0.0128 -0.0128 0.0193 0.0193 2.0419 2.0419 2.0708 2.0708 2.9061 2.9061 2.9466 2.9466 3.9529 3.9529 3.9844 3.9844 5.0134 5.0134 5.0939 5.0939 5.4843 5.4843 5.5604 5.5604 8.3539 8.3539 8.3766 8.3766 9.2020 9.2020 9.2181 9.2181 9.4066 9.4066 k = 0.5000 0.3824 0.3450 ( 6272 PWs) bands (ev): -5.6390 -5.6390 -5.6367 -5.6367 -4.4056 -4.4056 -4.3993 -4.3993 -2.2302 -2.2302 -2.1930 -2.1930 -2.1409 -2.1409 -2.0777 -2.0777 -1.6353 -1.6353 -1.5585 -1.5585 -1.4875 -1.4875 -1.4632 -1.4632 -1.4094 -1.4094 -1.3636 -1.3636 -0.0217 -0.0217 0.0110 0.0110 2.0822 2.0822 2.1166 2.1166 2.9019 2.9019 2.9444 2.9444 3.9514 3.9514 3.9803 3.9803 4.9785 4.9785 5.0561 5.0561 5.4892 5.4892 5.5605 5.5605 8.3239 8.3239 8.3457 8.3457 9.1505 9.1505 9.1692 9.1692 9.4225 9.4225 k = 0.5000 0.3824 0.3235 ( 6272 PWs) bands (ev): -5.6463 -5.6463 -5.6440 -5.6440 -4.3970 -4.3970 -4.3903 -4.3903 -2.2312 -2.2312 -2.1930 -2.1930 -2.1383 -2.1383 -2.0755 -2.0755 -1.6346 -1.6346 -1.5588 -1.5588 -1.4872 -1.4872 -1.4612 -1.4612 -1.4107 -1.4107 -1.3624 -1.3624 -0.0347 -0.0347 -0.0017 -0.0017 2.1242 2.1242 2.1640 2.1640 2.8974 2.8974 2.9421 2.9421 3.9542 3.9542 3.9812 3.9812 4.9436 4.9436 5.0184 5.0184 5.4968 5.4968 5.5632 5.5632 8.2893 8.2893 8.3102 8.3102 9.0907 9.0907 9.1124 9.1124 9.4483 9.4483 k = 0.5000 0.3824 0.3019 ( 6280 PWs) bands (ev): -5.6535 -5.6535 -5.6513 -5.6513 -4.3880 -4.3880 -4.3811 -4.3811 -2.2319 -2.2319 -2.1932 -2.1932 -2.1352 -2.1352 -2.0730 -2.0730 -1.6339 -1.6339 -1.5590 -1.5590 -1.4867 -1.4867 -1.4588 -1.4588 -1.4120 -1.4120 -1.3612 -1.3612 -0.0513 -0.0513 -0.0182 -0.0182 2.1677 2.1677 2.2127 2.2127 2.8925 2.8925 2.9395 2.9395 3.9611 3.9611 3.9872 3.9872 4.9089 4.9089 4.9809 4.9809 5.5067 5.5067 5.5680 5.5680 8.2526 8.2526 8.2728 8.2728 9.0280 9.0280 9.0516 9.0516 9.4775 9.4775 k = 0.5000 0.3824 0.2803 ( 6272 PWs) bands (ev): -5.6607 -5.6607 -5.6586 -5.6586 -4.3789 -4.3789 -4.3717 -4.3717 -2.2322 -2.2322 -2.1934 -2.1934 -2.1316 -2.1316 -2.0702 -2.0702 -1.6328 -1.6328 -1.5592 -1.5592 -1.4860 -1.4860 -1.4561 -1.4561 -1.4134 -1.4134 -1.3599 -1.3599 -0.0708 -0.0708 -0.0380 -0.0380 2.2120 2.2120 2.2619 2.2619 2.8872 2.8872 2.9367 2.9367 3.9718 3.9718 3.9981 3.9981 4.8743 4.8743 4.9436 4.9436 5.5186 5.5186 5.5749 5.5749 8.2158 8.2158 8.2357 8.2357 8.9648 8.9648 8.9892 8.9892 9.5062 9.5062 k = 0.5000 0.3824 0.2588 ( 6274 PWs) bands (ev): -5.6677 -5.6677 -5.6657 -5.6657 -4.3696 -4.3696 -4.3623 -4.3623 -2.2320 -2.2320 -2.1939 -2.1939 -2.1275 -2.1275 -2.0673 -2.0673 -1.6316 -1.6316 -1.5595 -1.5595 -1.4848 -1.4848 -1.4533 -1.4533 -1.4146 -1.4146 -1.3588 -1.3588 -0.0926 -0.0926 -0.0604 -0.0604 2.2567 2.2567 2.3112 2.3112 2.8813 2.8813 2.9333 2.9333 3.9861 3.9861 4.0138 4.0138 4.8397 4.8397 4.9064 4.9064 5.5323 5.5323 5.5834 5.5834 8.1808 8.1808 8.2006 8.2006 8.9023 8.9023 8.9268 8.9268 9.5313 9.5313 k = 0.5000 0.3824 0.2372 ( 6264 PWs) bands (ev): -5.6745 -5.6745 -5.6726 -5.6726 -4.3604 -4.3604 -4.3531 -4.3531 -2.2315 -2.2315 -2.1945 -2.1945 -2.1230 -2.1230 -2.0643 -2.0643 -1.6300 -1.6300 -1.5599 -1.5599 -1.4832 -1.4832 -1.4504 -1.4504 -1.4157 -1.4157 -1.3577 -1.3577 -0.1161 -0.1161 -0.0848 -0.0848 2.3013 2.3013 2.3600 2.3600 2.8747 2.8747 2.9292 2.9292 4.0039 4.0039 4.0340 4.0340 4.8052 4.8052 4.8694 4.8694 5.5474 5.5474 5.5934 5.5934 8.1490 8.1490 8.1691 8.1691 8.8412 8.8412 8.8651 8.8651 9.5501 9.5501 k = 0.5000 0.3824 0.2156 ( 6254 PWs) bands (ev): -5.6810 -5.6810 -5.6792 -5.6792 -4.3514 -4.3514 -4.3441 -4.3441 -2.2306 -2.2306 -2.1954 -2.1954 -2.1181 -2.1181 -2.0615 -2.0615 -1.6282 -1.6282 -1.5607 -1.5607 -1.4810 -1.4810 -1.4476 -1.4476 -1.4165 -1.4165 -1.3568 -1.3568 -0.1405 -0.1405 -0.1105 -0.1105 2.3455 2.3455 2.4079 2.4079 2.8672 2.8672 2.9242 2.9242 4.0251 4.0251 4.0582 4.0582 4.7706 4.7706 4.8325 4.8325 5.5634 5.5634 5.6044 5.6044 8.1217 8.1217 8.1423 8.1423 8.7817 8.7817 8.8048 8.8048 9.5599 9.5599 k = 0.5000 0.3824 0.1941 ( 6258 PWs) bands (ev): -5.6871 -5.6871 -5.6854 -5.6854 -4.3427 -4.3427 -4.3356 -4.3356 -2.2294 -2.2294 -2.1964 -2.1964 -2.1129 -2.1129 -2.0590 -2.0590 -1.6260 -1.6260 -1.5620 -1.5620 -1.4784 -1.4784 -1.4450 -1.4450 -1.4168 -1.4168 -1.3563 -1.3563 -0.1651 -0.1651 -0.1367 -0.1367 2.3887 2.3887 2.4545 2.4545 2.8586 2.8586 2.9180 2.9180 4.0496 4.0496 4.0860 4.0860 4.7358 4.7358 4.7956 4.7956 5.5799 5.5799 5.6159 5.6159 8.0999 8.0999 8.1213 8.1213 8.7241 8.7241 8.7459 8.7459 9.5572 9.5572 k = 0.5000 0.3824 0.1725 ( 6254 PWs) bands (ev): -5.6927 -5.6927 -5.6912 -5.6912 -4.3343 -4.3343 -4.3277 -4.3277 -2.2280 -2.2280 -2.1976 -2.1976 -2.1074 -2.1074 -2.0569 -2.0569 -1.6235 -1.6235 -1.5637 -1.5637 -1.4752 -1.4752 -1.4428 -1.4428 -1.4163 -1.4163 -1.3561 -1.3561 -0.1892 -0.1892 -0.1628 -0.1628 2.4307 2.4307 2.4992 2.4992 2.8487 2.8487 2.9105 2.9105 4.0773 4.0773 4.1169 4.1169 4.7008 4.7008 4.7588 4.7588 5.5964 5.5964 5.6277 5.6277 8.0846 8.0846 8.1069 8.1069 8.6683 8.6683 8.6886 8.6886 9.5385 9.5385 k = 0.5000 0.3824 0.1510 ( 6244 PWs) bands (ev): -5.6978 -5.6978 -5.6964 -5.6964 -4.3266 -4.3266 -4.3204 -4.3204 -2.2263 -2.2263 -2.1989 -2.1989 -2.1016 -2.1016 -2.0553 -2.0553 -1.6205 -1.6205 -1.5659 -1.5659 -1.4717 -1.4717 -1.4413 -1.4413 -1.4147 -1.4147 -1.3564 -1.3564 -0.2121 -0.2121 -0.1879 -0.1879 2.4712 2.4712 2.5420 2.5420 2.8375 2.8375 2.9014 2.9014 4.1077 4.1077 4.1504 4.1504 4.6655 4.6655 4.7218 4.7218 5.6125 5.6125 5.6392 5.6392 8.0764 8.0764 8.0995 8.0995 8.6141 8.6141 8.6328 8.6328 9.5023 9.5023 k = 0.5000 0.3824 0.1294 ( 6250 PWs) bands (ev): -5.7023 -5.7023 -5.7011 -5.7011 -4.3196 -4.3196 -4.3140 -4.3140 -2.2245 -2.2245 -2.2005 -2.2005 -2.0959 -2.0959 -2.0544 -2.0544 -1.6172 -1.6172 -1.5687 -1.5687 -1.4681 -1.4681 -1.4406 -1.4406 -1.4119 -1.4119 -1.3574 -1.3574 -0.2332 -0.2332 -0.2116 -0.2116 2.5099 2.5099 2.5824 2.5824 2.8249 2.8249 2.8906 2.8906 4.1406 4.1406 4.1857 4.1857 4.6299 4.6299 4.6848 4.6848 5.6277 5.6277 5.6500 5.6500 8.0760 8.0760 8.0996 8.0996 8.5613 8.5613 8.5784 8.5784 9.4518 9.4518 k = 0.5000 0.3824 0.1078 ( 6254 PWs) bands (ev): -5.7063 -5.7063 -5.7052 -5.7052 -4.3133 -4.3133 -4.3085 -4.3085 -2.2225 -2.2225 -2.2021 -2.2021 -2.0901 -2.0901 -2.0542 -2.0542 -1.6136 -1.6136 -1.5718 -1.5718 -1.4645 -1.4645 -1.4409 -1.4409 -1.4078 -1.4078 -1.3591 -1.3591 -0.2519 -0.2519 -0.2332 -0.2332 2.5468 2.5468 2.6202 2.6202 2.8107 2.8107 2.8780 2.8780 4.1754 4.1754 4.2223 4.2223 4.5942 4.5942 4.6477 4.6477 5.6415 5.6415 5.6597 5.6597 8.0833 8.0833 8.1072 8.1072 8.5096 8.5096 8.5253 8.5253 9.3944 9.3944 k = 0.5000 0.3824 0.0863 ( 6260 PWs) bands (ev): -5.7095 -5.7095 -5.7087 -5.7087 -4.3079 -4.3079 -4.3039 -4.3039 -2.2205 -2.2205 -2.2039 -2.2039 -2.0844 -2.0844 -2.0548 -2.0548 -1.6097 -1.6097 -1.5754 -1.5754 -1.4610 -1.4610 -1.4418 -1.4418 -1.4027 -1.4027 -1.3615 -1.3615 -0.2675 -0.2675 -0.2521 -0.2521 2.5817 2.5817 2.6550 2.6550 2.7953 2.7953 2.8634 2.8634 4.2114 4.2114 4.2590 4.2590 4.5588 4.5588 4.6106 4.6106 5.6536 5.6536 5.6679 5.6679 8.0983 8.0983 8.1218 8.1218 8.4589 8.4589 8.4737 8.4737 9.3384 9.3384 k = 0.5000 0.3824 0.0647 ( 6260 PWs) bands (ev): -5.7120 -5.7120 -5.7114 -5.7114 -4.3035 -4.3035 -4.3004 -4.3004 -2.2184 -2.2184 -2.2058 -2.2058 -2.0789 -2.0789 -2.0561 -2.0561 -1.6056 -1.6056 -1.5793 -1.5793 -1.4576 -1.4576 -1.4431 -1.4431 -1.3970 -1.3970 -1.3648 -1.3648 -0.2797 -0.2797 -0.2679 -0.2679 2.6143 2.6143 2.6861 2.6861 2.7793 2.7793 2.8469 2.8469 4.2480 4.2480 4.2946 4.2946 4.5249 4.5249 4.5739 4.5739 5.6638 5.6638 5.6743 5.6743 8.1202 8.1202 8.1426 8.1426 8.4099 8.4099 8.4241 8.4241 9.2902 9.2902 k = 0.5000 0.3824 0.0431 ( 6258 PWs) bands (ev): -5.7138 -5.7138 -5.7134 -5.7134 -4.3002 -4.3002 -4.2981 -4.2981 -2.2162 -2.2162 -2.2078 -2.2078 -2.0737 -2.0737 -2.0583 -2.0583 -1.6012 -1.6012 -1.5835 -1.5835 -1.4545 -1.4545 -1.4448 -1.4448 -1.3909 -1.3909 -1.3688 -1.3688 -0.2881 -0.2881 -0.2801 -0.2801 2.6447 2.6447 2.7097 2.7097 2.7662 2.7662 2.8284 2.8284 4.2839 4.2839 4.3256 4.3256 4.4952 4.4952 4.5382 4.5382 5.6716 5.6716 5.6786 5.6786 8.1475 8.1475 8.1673 8.1673 8.3645 8.3645 8.3780 8.3780 9.2541 9.2541 k = 0.5000 0.3824 0.0216 ( 6256 PWs) bands (ev): -5.7148 -5.7148 -5.7146 -5.7146 -4.2979 -4.2979 -4.2969 -4.2969 -2.2140 -2.2140 -2.2098 -2.2098 -2.0690 -2.0690 -2.0612 -2.0612 -1.5967 -1.5967 -1.5878 -1.5878 -1.4517 -1.4517 -1.4468 -1.4468 -1.3848 -1.3848 -1.3736 -1.3736 -0.2924 -0.2924 -0.2883 -0.2883 2.6724 2.6724 2.7133 2.7133 2.7687 2.7687 2.8081 2.8081 4.3166 4.3166 4.3445 4.3445 4.4773 4.4773 4.5057 4.5057 5.6771 5.6771 5.6805 5.6805 8.1761 8.1761 8.1898 8.1898 8.3287 8.3287 8.3390 8.3390 9.2327 9.2327 k = 0.5000 0.3824 0.0000 ( 6254 PWs) bands (ev): -5.7151 -5.7151 -5.7151 -5.7151 -4.2968 -4.2968 -4.2968 -4.2968 -2.2119 -2.2119 -2.2119 -2.2119 -2.0647 -2.0647 -2.0647 -2.0647 -1.5922 -1.5922 -1.5922 -1.5922 -1.4491 -1.4491 -1.4491 -1.4491 -1.3790 -1.3790 -1.3790 -1.3790 -0.2925 -0.2925 -0.2925 -0.2925 2.6965 2.6965 2.6965 2.6965 2.7869 2.7869 2.7869 2.7869 4.3405 4.3405 4.3405 4.3405 4.4818 4.4818 4.4818 4.4818 5.6800 5.6800 5.6800 5.6800 8.1953 8.1953 8.1953 8.1953 8.3175 8.3175 8.3175 8.3175 9.2272 9.2272 k = 0.0000 0.0000 0.8230 ( 6268 PWs) bands (ev): -5.5663 -5.5663 -5.5624 -5.5624 -4.4562 -4.4562 -4.4518 -4.4518 -2.1887 -2.1887 -2.1726 -2.1726 -2.1047 -2.1047 -2.0644 -2.0644 -1.5817 -1.5817 -1.5407 -1.5407 -1.4745 -1.4745 -1.4581 -1.4581 -1.3947 -1.3947 -1.3684 -1.3684 -0.4037 -0.4037 -0.3870 -0.3870 1.6853 1.6853 1.7213 1.7213 2.9251 2.9251 2.9472 2.9472 4.5824 4.5824 4.5847 4.5847 5.4563 5.4563 5.5056 5.5056 5.9416 5.9416 5.9538 5.9538 7.7547 7.7547 7.7551 7.7551 9.0388 9.0388 9.0719 9.0719 10.0588 10.0588 k = 0.0167 0.0127 0.8230 ( 6272 PWs) bands (ev): -5.5663 -5.5662 -5.5625 -5.5623 -4.4566 -4.4559 -4.4520 -4.4516 -2.1909 -2.1863 -2.1749 -2.1704 -2.1052 -2.1040 -2.0653 -2.0639 -1.5864 -1.5768 -1.5433 -1.5381 -1.4758 -1.4733 -1.4595 -1.4568 -1.3958 -1.3941 -1.3701 -1.3674 -0.4029 -0.4024 -0.3880 -0.3840 1.6791 1.6832 1.7152 1.7178 2.9307 2.9326 2.9495 2.9570 4.5792 4.5822 4.5828 4.5840 5.4560 5.4564 5.5048 5.5062 5.9341 5.9407 5.9495 5.9498 7.7589 7.7601 7.7609 7.7629 9.0363 9.0372 9.0695 9.0697 10.0593 10.0595 k = 0.0333 0.0255 0.8230 ( 6264 PWs) bands (ev): -5.5664 -5.5661 -5.5627 -5.5621 -4.4570 -4.4556 -4.4523 -4.4514 -2.1929 -2.1837 -2.1772 -2.1681 -2.1056 -2.1033 -2.0664 -2.0637 -1.5910 -1.5718 -1.5458 -1.5352 -1.4771 -1.4720 -1.4608 -1.4554 -1.3971 -1.3937 -1.3724 -1.3670 -0.4001 -0.3991 -0.3868 -0.3790 1.6648 1.6728 1.7002 1.7052 2.9492 2.9529 2.9636 2.9784 4.5729 4.5764 4.5801 4.5803 5.4555 5.4564 5.5040 5.5067 5.9184 5.9313 5.9373 5.9378 7.7743 7.7768 7.7784 7.7821 9.0295 9.0313 9.0628 9.0632 10.0609 10.0614 k = 0.0500 0.0382 0.8230 ( 6268 PWs) bands (ev): -5.5664 -5.5660 -5.5628 -5.5620 -4.4574 -4.4553 -4.4527 -4.4514 -2.1948 -2.1811 -2.1795 -2.1660 -2.1059 -2.1025 -2.0678 -2.0638 -1.5954 -1.5668 -1.5482 -1.5323 -1.4785 -1.4707 -1.4623 -1.4540 -1.3988 -1.3937 -1.3753 -1.3673 -0.3954 -0.3938 -0.3837 -0.3721 1.6437 1.6550 1.6774 1.6845 2.9794 2.9845 2.9887 3.0103 4.5638 4.5674 4.5729 4.5749 5.4546 5.4564 5.5033 5.5069 5.8957 5.9142 5.9181 5.9185 7.8005 7.8041 7.8066 7.8117 9.0183 9.0210 9.0515 9.0521 10.0640 10.0648 k = 0.0667 0.0510 0.8230 ( 6276 PWs) bands (ev): -5.5664 -5.5659 -5.5629 -5.5618 -4.4579 -4.4550 -4.4531 -4.4513 -2.1965 -2.1818 -2.1783 -2.1640 -2.1060 -2.1017 -2.0695 -2.0642 -1.5996 -1.5618 -1.5505 -1.5294 -1.4800 -1.4694 -1.4638 -1.4526 -1.4008 -1.3939 -1.3788 -1.3682 -0.3889 -0.3868 -0.3788 -0.3636 1.6172 1.6313 1.6485 1.6573 3.0196 3.0230 3.0259 3.0512 4.5515 4.5549 4.5624 4.5665 5.4535 5.4566 5.5028 5.5068 5.8673 5.8905 5.8931 5.8933 7.8367 7.8408 7.8444 7.8507 9.0027 9.0062 9.0355 9.0363 10.0686 10.0698 k = 0.0833 0.0637 0.8230 ( 6280 PWs) bands (ev): -5.5664 -5.5658 -5.5630 -5.5617 -4.4583 -4.4548 -4.4535 -4.4513 -2.1980 -2.1841 -2.1755 -2.1620 -2.1060 -2.1009 -2.0714 -2.0649 -1.6036 -1.5567 -1.5526 -1.5263 -1.4816 -1.4680 -1.4655 -1.4511 -1.4030 -1.3943 -1.3826 -1.3697 -0.3810 -0.3784 -0.3722 -0.3536 1.5869 1.6031 1.6154 1.6255 3.0650 3.0679 3.0750 3.0993 4.5362 4.5391 4.5486 4.5553 5.4519 5.4569 5.5026 5.5062 5.8350 5.8616 5.8629 5.8643 7.8814 7.8858 7.8905 7.8977 8.9824 8.9867 9.0147 9.0157 10.0749 10.0768 k = 0.1000 0.0765 0.8230 ( 6272 PWs) bands (ev): -5.5663 -5.5656 -5.5631 -5.5615 -4.4588 -4.4546 -4.4539 -4.4514 -2.1992 -2.1862 -2.1727 -2.1602 -2.1057 -2.1000 -2.0734 -2.0658 -1.6073 -1.5546 -1.5516 -1.5231 -1.4833 -1.4672 -1.4666 -1.4495 -1.4054 -1.3948 -1.3866 -1.3716 -0.3719 -0.3688 -0.3643 -0.3426 1.5545 1.5722 1.5799 1.5909 3.1127 3.1222 3.1298 3.1528 4.5179 4.5199 4.5314 4.5412 5.4501 5.4577 5.5029 5.5050 5.8005 5.8290 5.8296 5.8329 7.9333 7.9376 7.9435 7.9513 8.9573 8.9624 8.9890 8.9902 10.0833 10.0860 k = 0.1167 0.0892 0.8230 ( 6272 PWs) bands (ev): -5.5663 -5.5654 -5.5632 -5.5614 -4.4592 -4.4544 -4.4543 -4.4515 -2.2002 -2.1883 -2.1698 -2.1585 -2.1053 -2.0992 -2.0757 -2.0669 -1.6107 -1.5564 -1.5465 -1.5198 -1.4852 -1.4692 -1.4651 -1.4478 -1.4080 -1.3954 -1.3909 -1.3739 -0.3621 -0.3585 -0.3555 -0.3309 1.5215 1.5401 1.5436 1.5551 3.1641 3.1806 3.1884 3.2099 4.4966 4.4974 4.5109 4.5244 5.4480 5.4589 5.5031 5.5038 5.7658 5.7944 5.7947 5.8007 7.9910 7.9948 8.0021 8.0102 8.9275 8.9330 8.9583 8.9597 10.0939 10.0976 k = 0.1333 0.1020 0.8230 ( 6256 PWs) bands (ev): -5.5662 -5.5653 -5.5633 -5.5612 -4.4596 -4.4546 -4.4542 -4.4516 -2.2009 -2.1903 -2.1670 -2.1569 -2.1046 -2.0984 -2.0780 -2.0682 -1.6137 -1.5580 -1.5414 -1.5164 -1.4873 -1.4713 -1.4636 -1.4460 -1.4107 -1.3959 -1.3951 -1.3764 -0.3519 -0.3479 -0.3461 -0.3189 1.4894 1.5080 1.5084 1.5197 3.2173 3.2411 3.2489 3.2687 4.4720 4.4726 4.4874 4.5052 5.4458 5.4609 5.5003 5.5055 5.7325 5.7590 5.7596 5.7692 8.0532 8.0562 8.0649 8.0731 8.8927 8.8987 8.9226 8.9243 10.1065 10.1117 k = 0.1500 0.1147 0.8230 ( 6258 PWs) bands (ev): -5.5662 -5.5651 -5.5634 -5.5611 -4.4600 -4.4550 -4.4540 -4.4518 -2.2015 -2.1922 -2.1644 -2.1555 -2.1037 -2.0977 -2.0804 -2.0696 -1.6164 -1.5595 -1.5364 -1.5130 -1.4895 -1.4736 -1.4620 -1.4441 -1.4136 -1.3993 -1.3963 -1.3791 -0.3418 -0.3374 -0.3366 -0.3072 1.4593 1.4744 1.4782 1.4860 3.2703 3.3018 3.3094 3.3272 4.4443 4.4466 4.4613 4.4843 5.4437 5.4636 5.4961 5.5083 5.7025 5.7243 5.7255 5.7395 8.1187 8.1206 8.1308 8.1389 8.8533 8.8594 8.8821 8.8840 10.1211 10.1279 k = 0.1667 0.1275 0.8230 ( 6272 PWs) bands (ev): -5.5661 -5.5649 -5.5635 -5.5610 -4.4604 -4.4553 -4.4539 -4.4520 -2.2019 -2.1940 -2.1620 -2.1544 -2.1027 -2.0971 -2.0828 -2.0710 -1.6187 -1.5609 -1.5316 -1.5097 -1.4921 -1.4762 -1.4605 -1.4421 -1.4165 -1.4033 -1.3966 -1.3819 -0.3323 -0.3276 -0.3275 -0.2962 1.4323 1.4441 1.4506 1.4551 3.3210 3.3606 3.3677 3.3834 4.4152 4.4196 4.4337 4.4625 5.4419 5.4672 5.4905 5.5123 5.6771 5.6913 5.6936 5.7127 8.1863 8.1870 8.1986 8.2065 8.8093 8.8153 8.8370 8.8391 10.1372 10.1453 k = 0.1833 0.1402 0.8230 ( 6274 PWs) bands (ev): -5.5661 -5.5647 -5.5636 -5.5608 -4.4606 -4.4556 -4.4537 -4.4522 -2.2020 -2.1956 -2.1599 -2.1534 -2.1014 -2.0966 -2.0853 -2.0723 -1.6207 -1.5620 -1.5268 -1.5063 -1.4948 -1.4790 -1.4590 -1.4401 -1.4193 -1.4069 -1.3966 -1.3846 -0.3237 -0.3191 -0.3188 -0.2864 1.4093 1.4178 1.4268 1.4279 3.3672 3.4152 3.4215 3.4349 4.3862 4.3929 4.4057 4.4410 5.4409 5.4715 5.4834 5.5178 5.6574 5.6607 5.6649 5.6894 8.2542 8.2550 8.2673 8.2749 8.7612 8.7667 8.7877 8.7900 10.1539 10.1578 k = 0.2000 0.1530 0.8230 ( 6270 PWs) bands (ev): -5.5660 -5.5646 -5.5637 -5.5608 -4.4609 -4.4559 -4.4535 -4.4524 -2.2019 -2.1971 -2.1581 -2.1526 -2.0999 -2.0962 -2.0877 -2.0735 -1.6222 -1.5628 -1.5221 -1.5032 -1.4974 -1.4819 -1.4576 -1.4379 -1.4221 -1.4099 -1.3962 -1.3871 -0.3166 -0.3120 -0.3115 -0.2782 1.3912 1.3965 1.4054 1.4074 3.4068 3.4631 3.4682 3.4789 4.3594 4.3686 4.3794 4.4214 5.4409 5.4751 5.4764 5.5249 5.6333 5.6404 5.6438 5.6700 8.3214 8.3238 8.3358 8.3429 8.7095 8.7141 8.7348 8.7372 10.1699 10.1702 k = 0.2167 0.1657 0.8230 ( 6274 PWs) bands (ev): -5.5660 -5.5644 -5.5638 -5.5607 -4.4611 -4.4560 -4.4534 -4.4526 -2.2017 -2.1984 -2.1568 -2.1520 -2.0983 -2.0959 -2.0900 -2.0744 -1.6233 -1.5635 -1.5177 -1.5026 -1.4978 -1.4850 -1.4565 -1.4356 -1.4248 -1.4123 -1.3956 -1.3895 -0.3112 -0.3066 -0.3061 -0.2720 1.3786 1.3808 1.3881 1.3930 3.4372 3.5014 3.5049 3.5125 4.3373 4.3491 4.3570 4.4056 5.4425 5.4663 5.4812 5.5337 5.6096 5.6212 5.6361 5.6547 8.3872 8.3914 8.4026 8.4091 8.6555 8.6582 8.6793 8.6815 10.1803 10.1845 k = 0.2333 0.1785 0.8230 ( 6274 PWs) bands (ev): -5.5660 -5.5642 -5.5639 -5.5607 -4.4612 -4.4561 -4.4532 -4.4528 -2.2011 -2.1995 -2.1559 -2.1517 -2.0964 -2.0958 -2.0923 -2.0749 -1.6239 -1.5638 -1.5134 -1.5056 -1.4949 -1.4883 -1.4558 -1.4333 -1.4274 -1.4138 -1.3946 -1.3915 -0.3078 -0.3031 -0.3029 -0.2682 1.3712 1.3718 1.3766 1.3843 3.4565 3.5272 3.5284 3.5330 4.3225 4.3370 4.3412 4.3952 5.4458 5.4580 5.4850 5.5432 5.5910 5.6087 5.6338 5.6434 8.4491 8.4555 8.4640 8.4691 8.6013 8.6034 8.6248 8.6254 10.1874 10.1952 k = 0.2500 0.1912 0.8230 ( 6276 PWs) bands (ev): -5.5660 -5.5641 -5.5641 -5.5607 -4.4612 -4.4562 -4.4530 -4.4530 -2.2004 -2.2004 -2.1557 -2.1516 -2.0957 -2.0944 -2.0944 -2.0752 -1.6241 -1.5639 -1.5094 -1.5093 -1.4916 -1.4916 -1.4555 -1.4319 -1.4290 -1.4143 -1.3932 -1.3932 -0.3067 -0.3018 -0.3018 -0.2669 1.3679 1.3711 1.3711 1.3813 3.4632 3.5366 3.5380 3.5380 4.3173 4.3342 4.3342 4.3915 5.4510 5.4510 5.4864 5.5487 5.5824 5.6043 5.6364 5.6364 8.4931 8.4931 8.4965 8.4987 8.5628 8.5826 8.5826 8.5924 10.1899 10.2008 Writing output data file CdSiAs2.save init_run : 5.25s CPU 12.74s WALL ( 1 calls) electrons : 1562.08s CPU 1572.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.66s CPU 1.83s WALL ( 1 calls) Called by electrons: c_bands : 1562.07s CPU 1571.79s WALL ( 1 calls) v_of_rho : 0.22s CPU 1.16s WALL ( 1 calls) v_h : 0.02s CPU 0.19s WALL ( 1 calls) v_xc : 0.19s CPU 0.69s WALL ( 1 calls) newd : 1.02s CPU 1.30s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.13s WALL ( 268 calls) cegterg : 1454.17s CPU 1461.28s WALL ( 784 calls) Called by sum_band: Called by *egterg: h_psi : 852.41s CPU 863.00s WALL ( 14164 calls) s_psi : 54.56s CPU 54.95s WALL ( 14164 calls) g_psi : 1.21s CPU 1.21s WALL ( 13112 calls) cdiaghg : 421.03s CPU 417.93s WALL ( 13380 calls) cegterg:over : 89.47s CPU 86.45s WALL ( 13112 calls) cegterg:upda : 26.35s CPU 30.33s WALL ( 13112 calls) cegterg:last : 19.02s CPU 19.70s WALL ( 1910 calls) Called by h_psi: h_psi:vloc : 740.90s CPU 749.03s WALL ( 14164 calls) h_psi:vnl : 110.88s CPU 112.59s WALL ( 14164 calls) add_vuspsi : 40.83s CPU 45.40s WALL ( 14164 calls) General routines calbec : 69.97s CPU 66.97s WALL ( 14164 calls) fft : 0.34s CPU 1.29s WALL ( 19 calls) ffts : 0.04s CPU 0.09s WALL ( 4 calls) fftw : 654.56s CPU 610.33s WALL ( 1435384 calls) interpolate : 0.08s CPU 0.13s WALL ( 4 calls) davcio : 0.03s CPU 1.83s WALL ( 536 calls) Parallel routines fft_scatter : 433.99s CPU 352.35s WALL ( 1435407 calls) PWSCF : 27m10.81s CPU 30m 2.61s WALL This run was terminated on: 13:56:41 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=