Program PWSCF v.5.1.1 starts on 23Jul2015 at 12:28:43 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./ZnCl2.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 96 64 18 2461 1328 203 Max 97 65 19 2463 1350 205 Sum 3101 2073 587 78787 42867 6531 bravais-lattice index = 14 lattice parameter (alat) = 12.1532 a.u. unit-cell volume = 1018.3437 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.153249 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.647491 celldm(5)= -0.647491 celldm(6)= 0.294982 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.294982 0.955503 0.000000 ) a(3) = ( -0.647491 -0.477751 0.593725 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.308719 0.842141 ) b(2) = ( 0.000000 1.046569 0.842141 ) b(3) = ( 0.000000 0.000000 1.684282 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 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 Cl 7.00 35.45300 Cl( 1.00) Zn 12.00 65.40900 Zn( 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 =( -0.1474908 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4777515 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2968624 ) 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= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0000000 0.0200510), wk = 0.0034364 k( 3) = ( 0.0000000 0.0000000 0.0401019), wk = 0.0034364 k( 4) = ( 0.0000000 0.0000000 0.0601529), wk = 0.0034364 k( 5) = ( 0.0000000 0.0000000 0.0802039), wk = 0.0034364 k( 6) = ( 0.0000000 0.0000000 0.1002549), wk = 0.0034364 k( 7) = ( 0.0000000 0.0000000 0.1203058), wk = 0.0034364 k( 8) = ( 0.0000000 0.0000000 0.1403568), wk = 0.0034364 k( 9) = ( 0.0000000 0.0000000 0.1604078), wk = 0.0034364 k( 10) = ( 0.0000000 0.0000000 0.1804588), wk = 0.0034364 k( 11) = ( 0.0000000 0.0000000 0.2005098), wk = 0.0034364 k( 12) = ( 0.0000000 0.0000000 0.2205607), wk = 0.0034364 k( 13) = ( 0.0000000 0.0000000 0.2406117), wk = 0.0034364 k( 14) = ( 0.0000000 0.0000000 0.2606627), wk = 0.0034364 k( 15) = ( 0.0000000 0.0000000 0.2807137), wk = 0.0034364 k( 16) = ( 0.0000000 0.0000000 0.3007646), wk = 0.0034364 k( 17) = ( 0.0000000 0.0000000 0.3208156), wk = 0.0034364 k( 18) = ( 0.0000000 0.0000000 0.3408666), wk = 0.0034364 k( 19) = ( 0.0000000 0.0000000 0.3609175), wk = 0.0034364 k( 20) = ( 0.0000000 0.0000000 0.3809685), wk = 0.0034364 k( 21) = ( 0.0000000 0.0000000 0.4010195), wk = 0.0034364 k( 22) = ( 0.0000000 0.0000000 0.4210705), wk = 0.0034364 k( 23) = ( 0.0000000 0.0000000 0.4411214), wk = 0.0034364 k( 24) = ( 0.0000000 0.0000000 0.4611724), wk = 0.0034364 k( 25) = ( 0.0000000 0.0000000 0.4812234), wk = 0.0034364 k( 26) = ( 0.0000000 0.0000000 0.5012744), wk = 0.0034364 k( 27) = ( 0.0000000 0.0000000 0.5213254), wk = 0.0034364 k( 28) = ( 0.0000000 0.0000000 0.5413763), wk = 0.0034364 k( 29) = ( 0.0000000 0.0000000 0.5614273), wk = 0.0034364 k( 30) = ( 0.0000000 0.0000000 0.5814783), wk = 0.0034364 k( 31) = ( 0.0000000 0.0000000 0.6015293), wk = 0.0034364 k( 32) = ( 0.0000000 0.0000000 0.6215802), wk = 0.0034364 k( 33) = ( 0.0000000 0.0000000 0.6416312), wk = 0.0034364 k( 34) = ( 0.0000000 0.0000000 0.6616822), wk = 0.0034364 k( 35) = ( 0.0000000 0.0000000 0.6817331), wk = 0.0034364 k( 36) = ( 0.0000000 0.0000000 0.7017841), wk = 0.0034364 k( 37) = ( 0.0000000 0.0000000 0.7218351), wk = 0.0034364 k( 38) = ( 0.0000000 0.0000000 0.7418861), wk = 0.0034364 k( 39) = ( 0.0000000 0.0000000 0.7619371), wk = 0.0034364 k( 40) = ( 0.0000000 0.0000000 0.7819880), wk = 0.0034364 k( 41) = ( 0.0000000 0.0000000 0.8020390), wk = 0.0034364 k( 42) = ( 0.0000000 0.0000000 0.8220900), wk = 0.0034364 k( 43) = ( 0.0000000 0.0000000 0.8421410), wk = 0.0034364 k( 44) = ( 0.0000000 0.0000000 0.8421410), wk = 0.0034364 k( 45) = ( -0.0113422 0.0153719 0.8421410), wk = 0.0034364 k( 46) = ( -0.0226843 0.0307438 0.8421410), wk = 0.0034364 k( 47) = ( -0.0340265 0.0461157 0.8421410), wk = 0.0034364 k( 48) = ( -0.0453686 0.0614875 0.8421410), wk = 0.0034364 k( 49) = ( -0.0567108 0.0768594 0.8421410), wk = 0.0034364 k( 50) = ( -0.0680529 0.0922313 0.8421410), wk = 0.0034364 k( 51) = ( -0.0793951 0.1076032 0.8421410), wk = 0.0034364 k( 52) = ( -0.0907372 0.1229751 0.8421410), wk = 0.0034364 k( 53) = ( -0.1020794 0.1383470 0.8421410), wk = 0.0034364 k( 54) = ( -0.1134215 0.1537189 0.8421410), wk = 0.0034364 k( 55) = ( -0.1247637 0.1690908 0.8421410), wk = 0.0034364 k( 56) = ( -0.1361059 0.1844626 0.8421410), wk = 0.0034364 k( 57) = ( -0.1361059 0.1844626 0.8421410), wk = 0.0034364 k( 58) = ( -0.1443762 0.1956713 0.8282114), wk = 0.0034364 k( 59) = ( -0.1526465 0.2068800 0.8142819), wk = 0.0034364 k( 60) = ( -0.1609168 0.2180886 0.8003523), wk = 0.0034364 k( 61) = ( -0.1691872 0.2292973 0.7864227), wk = 0.0034364 k( 62) = ( -0.1774575 0.2405060 0.7724932), wk = 0.0034364 k( 63) = ( -0.1857278 0.2517146 0.7585636), wk = 0.0034364 k( 64) = ( -0.1939981 0.2629233 0.7446341), wk = 0.0034364 k( 65) = ( -0.2022684 0.2741320 0.7307045), wk = 0.0034364 k( 66) = ( -0.2105387 0.2853406 0.7167750), wk = 0.0034364 k( 67) = ( -0.2188091 0.2965493 0.7028454), wk = 0.0034364 k( 68) = ( -0.2270794 0.3077580 0.6889159), wk = 0.0034364 k( 69) = ( -0.2353497 0.3189667 0.6749863), wk = 0.0034364 k( 70) = ( -0.2436200 0.3301753 0.6610568), wk = 0.0034364 k( 71) = ( -0.2518904 0.3413840 0.6471272), wk = 0.0034364 k( 72) = ( -0.2601607 0.3525926 0.6331977), wk = 0.0034364 k( 73) = ( -0.2684310 0.3638013 0.6192681), wk = 0.0034364 k( 74) = ( -0.2767013 0.3750100 0.6053386), wk = 0.0034364 k( 75) = ( -0.2849716 0.3862186 0.5914090), wk = 0.0034364 k( 76) = ( -0.2932420 0.3974273 0.5774794), wk = 0.0034364 k( 77) = ( -0.3015123 0.4086360 0.5635499), wk = 0.0034364 k( 78) = ( -0.3097826 0.4198447 0.5496203), wk = 0.0034364 k( 79) = ( -0.3180529 0.4310533 0.5356908), wk = 0.0034364 k( 80) = ( -0.3180529 0.4310533 0.5356908), wk = 0.0034364 k( 81) = ( -0.3096831 0.4197098 0.5215937), wk = 0.0034364 k( 82) = ( -0.3013133 0.4083663 0.5074965), wk = 0.0034364 k( 83) = ( -0.2929435 0.3970228 0.4933994), wk = 0.0034364 k( 84) = ( -0.2845737 0.3856793 0.4793023), wk = 0.0034364 k( 85) = ( -0.2762039 0.3743358 0.4652052), wk = 0.0034364 k( 86) = ( -0.2678340 0.3629923 0.4511080), wk = 0.0034364 k( 87) = ( -0.2594642 0.3516488 0.4370109), wk = 0.0034364 k( 88) = ( -0.2510944 0.3403053 0.4229138), wk = 0.0034364 k( 89) = ( -0.2427246 0.3289617 0.4088167), wk = 0.0034364 k( 90) = ( -0.2343548 0.3176182 0.3947195), wk = 0.0034364 k( 91) = ( -0.2259850 0.3062747 0.3806224), wk = 0.0034364 k( 92) = ( -0.2176152 0.2949312 0.3665253), wk = 0.0034364 k( 93) = ( -0.2092453 0.2835877 0.3524282), wk = 0.0034364 k( 94) = ( -0.2008755 0.2722442 0.3383310), wk = 0.0034364 k( 95) = ( -0.1925057 0.2609007 0.3242339), wk = 0.0034364 k( 96) = ( -0.1841359 0.2495572 0.3101368), wk = 0.0034364 k( 97) = ( -0.1757661 0.2382137 0.2960396), wk = 0.0034364 k( 98) = ( -0.1673963 0.2268702 0.2819425), wk = 0.0034364 k( 99) = ( -0.1590265 0.2155267 0.2678454), wk = 0.0034364 k( 100) = ( -0.1506567 0.2041831 0.2537483), wk = 0.0034364 k( 101) = ( -0.1422868 0.1928396 0.2396512), wk = 0.0034364 k( 102) = ( -0.1339170 0.1814961 0.2255540), wk = 0.0034364 k( 103) = ( -0.1255472 0.1701526 0.2114569), wk = 0.0034364 k( 104) = ( -0.1171774 0.1588091 0.1973598), wk = 0.0034364 k( 105) = ( -0.1088076 0.1474656 0.1832626), wk = 0.0034364 k( 106) = ( -0.1004378 0.1361221 0.1691655), wk = 0.0034364 k( 107) = ( -0.0920679 0.1247786 0.1550684), wk = 0.0034364 k( 108) = ( -0.0836981 0.1134351 0.1409713), wk = 0.0034364 k( 109) = ( -0.0753283 0.1020916 0.1268741), wk = 0.0034364 k( 110) = ( -0.0669585 0.0907481 0.1127770), wk = 0.0034364 k( 111) = ( -0.0585887 0.0794046 0.0986799), wk = 0.0034364 k( 112) = ( -0.0502189 0.0680610 0.0845828), wk = 0.0034364 k( 113) = ( -0.0418491 0.0567175 0.0704856), wk = 0.0034364 k( 114) = ( -0.0334793 0.0453740 0.0563885), wk = 0.0034364 k( 115) = ( -0.0251094 0.0340305 0.0422914), wk = 0.0034364 k( 116) = ( -0.0167396 0.0226870 0.0281943), wk = 0.0034364 k( 117) = ( -0.0083698 0.0113435 0.0140971), wk = 0.0034364 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 120) = ( 0.0161290 0.0119008 -0.0000000), wk = 0.0034364 k( 121) = ( 0.0322581 0.0238016 -0.0000000), wk = 0.0034364 k( 122) = ( 0.0483871 0.0357024 -0.0000000), wk = 0.0034364 k( 123) = ( 0.0645161 0.0476033 -0.0000000), wk = 0.0034364 k( 124) = ( 0.0806452 0.0595041 -0.0000000), wk = 0.0034364 k( 125) = ( 0.0967742 0.0714049 -0.0000000), wk = 0.0034364 k( 126) = ( 0.1129032 0.0833057 -0.0000000), wk = 0.0034364 k( 127) = ( 0.1290323 0.0952065 -0.0000000), wk = 0.0034364 k( 128) = ( 0.1451613 0.1071073 -0.0000000), wk = 0.0034364 k( 129) = ( 0.1612903 0.1190082 -0.0000000), wk = 0.0034364 k( 130) = ( 0.1774194 0.1309090 -0.0000000), wk = 0.0034364 k( 131) = ( 0.1935484 0.1428098 -0.0000000), wk = 0.0034364 k( 132) = ( 0.2096774 0.1547106 -0.0000000), wk = 0.0034364 k( 133) = ( 0.2258064 0.1666114 -0.0000000), wk = 0.0034364 k( 134) = ( 0.2419355 0.1785122 -0.0000000), wk = 0.0034364 k( 135) = ( 0.2580645 0.1904130 -0.0000000), wk = 0.0034364 k( 136) = ( 0.2741936 0.2023139 -0.0000000), wk = 0.0034364 k( 137) = ( 0.2903226 0.2142147 -0.0000000), wk = 0.0034364 k( 138) = ( 0.3064516 0.2261155 -0.0000000), wk = 0.0034364 k( 139) = ( 0.3225807 0.2380163 -0.0000000), wk = 0.0034364 k( 140) = ( 0.3387097 0.2499171 -0.0000000), wk = 0.0034364 k( 141) = ( 0.3548387 0.2618179 -0.0000000), wk = 0.0034364 k( 142) = ( 0.3709677 0.2737188 -0.0000000), wk = 0.0034364 k( 143) = ( 0.3870968 0.2856196 -0.0000000), wk = 0.0034364 k( 144) = ( 0.4032258 0.2975204 -0.0000000), wk = 0.0034364 k( 145) = ( 0.4193548 0.3094212 -0.0000000), wk = 0.0034364 k( 146) = ( 0.4354839 0.3213220 -0.0000000), wk = 0.0034364 k( 147) = ( 0.4516129 0.3332228 -0.0000000), wk = 0.0034364 k( 148) = ( 0.4677419 0.3451236 -0.0000000), wk = 0.0034364 k( 149) = ( 0.4838710 0.3570245 -0.0000000), wk = 0.0034364 k( 150) = ( 0.5000000 0.3689253 -0.0000000), wk = 0.0034364 k( 151) = ( 0.5000000 0.3689253 -0.0000000), wk = 0.0034364 k( 152) = ( 0.4917297 0.3801339 0.0139296), wk = 0.0034364 k( 153) = ( 0.4834594 0.3913426 0.0278591), wk = 0.0034364 k( 154) = ( 0.4751890 0.4025513 0.0417887), wk = 0.0034364 k( 155) = ( 0.4669187 0.4137600 0.0557182), wk = 0.0034364 k( 156) = ( 0.4586484 0.4249686 0.0696478), wk = 0.0034364 k( 157) = ( 0.4503781 0.4361773 0.0835773), wk = 0.0034364 k( 158) = ( 0.4421078 0.4473859 0.0975069), wk = 0.0034364 k( 159) = ( 0.4338374 0.4585946 0.1114364), wk = 0.0034364 k( 160) = ( 0.4255671 0.4698033 0.1253660), wk = 0.0034364 k( 161) = ( 0.4172968 0.4810119 0.1392955), wk = 0.0034364 k( 162) = ( 0.4090265 0.4922206 0.1532251), wk = 0.0034364 k( 163) = ( 0.4007561 0.5034293 0.1671546), wk = 0.0034364 k( 164) = ( 0.3924858 0.5146380 0.1810842), wk = 0.0034364 k( 165) = ( 0.3842155 0.5258466 0.1950137), wk = 0.0034364 k( 166) = ( 0.3759452 0.5370553 0.2089433), wk = 0.0034364 k( 167) = ( 0.3676749 0.5482640 0.2228728), wk = 0.0034364 k( 168) = ( 0.3594045 0.5594726 0.2368024), wk = 0.0034364 k( 169) = ( 0.3511342 0.5706813 0.2507319), wk = 0.0034364 k( 170) = ( 0.3428639 0.5818900 0.2646615), wk = 0.0034364 k( 171) = ( 0.3345936 0.5930986 0.2785911), wk = 0.0034364 k( 172) = ( 0.3263233 0.6043073 0.2925206), wk = 0.0034364 k( 173) = ( 0.3180529 0.6155160 0.3064502), wk = 0.0034364 k( 174) = ( 0.3180529 0.6155160 0.3064502), wk = 0.0034364 k( 175) = ( 0.3003833 0.6103920 0.3128180), wk = 0.0034364 k( 176) = ( 0.2827137 0.6052680 0.3191857), wk = 0.0034364 k( 177) = ( 0.2650441 0.6001441 0.3255535), wk = 0.0034364 k( 178) = ( 0.2473745 0.5950201 0.3319213), wk = 0.0034364 k( 179) = ( 0.2297049 0.5898962 0.3382891), wk = 0.0034364 k( 180) = ( 0.2120353 0.5847722 0.3446569), wk = 0.0034364 k( 181) = ( 0.1943657 0.5796482 0.3510247), wk = 0.0034364 k( 182) = ( 0.1766961 0.5745243 0.3573925), wk = 0.0034364 k( 183) = ( 0.1590265 0.5694003 0.3637603), wk = 0.0034364 k( 184) = ( 0.1413569 0.5642763 0.3701281), wk = 0.0034364 k( 185) = ( 0.1236872 0.5591524 0.3764959), wk = 0.0034364 k( 186) = ( 0.1060176 0.5540284 0.3828637), wk = 0.0034364 k( 187) = ( 0.0883480 0.5489044 0.3892315), wk = 0.0034364 k( 188) = ( 0.0706784 0.5437805 0.3955993), wk = 0.0034364 k( 189) = ( 0.0530088 0.5386565 0.4019671), wk = 0.0034364 k( 190) = ( 0.0353392 0.5335326 0.4083349), wk = 0.0034364 k( 191) = ( 0.0176696 0.5284086 0.4147027), wk = 0.0034364 k( 192) = ( 0.0000000 0.5232846 0.4210705), wk = 0.0034364 k( 193) = ( 0.0000000 0.5232846 0.4210705), wk = 0.0034364 k( 194) = ( 0.0083333 0.5119906 0.4351062), wk = 0.0034364 k( 195) = ( 0.0166667 0.5006965 0.4491418), wk = 0.0034364 k( 196) = ( 0.0250000 0.4894024 0.4631775), wk = 0.0034364 k( 197) = ( 0.0333333 0.4781084 0.4772132), wk = 0.0034364 k( 198) = ( 0.0416667 0.4668143 0.4912489), wk = 0.0034364 k( 199) = ( 0.0500000 0.4555202 0.5052846), wk = 0.0034364 k( 200) = ( 0.0583333 0.4442262 0.5193203), wk = 0.0034364 k( 201) = ( 0.0666667 0.4329321 0.5333559), wk = 0.0034364 k( 202) = ( 0.0750000 0.4216380 0.5473916), wk = 0.0034364 k( 203) = ( 0.0833333 0.4103440 0.5614273), wk = 0.0034364 k( 204) = ( 0.0916667 0.3990499 0.5754630), wk = 0.0034364 k( 205) = ( 0.1000000 0.3877558 0.5894987), wk = 0.0034364 k( 206) = ( 0.1083333 0.3764618 0.6035343), wk = 0.0034364 k( 207) = ( 0.1166667 0.3651677 0.6175700), wk = 0.0034364 k( 208) = ( 0.1250000 0.3538736 0.6316057), wk = 0.0034364 k( 209) = ( 0.1333333 0.3425796 0.6456414), wk = 0.0034364 k( 210) = ( 0.1416667 0.3312855 0.6596771), wk = 0.0034364 k( 211) = ( 0.1500000 0.3199914 0.6737128), wk = 0.0034364 k( 212) = ( 0.1583333 0.3086974 0.6877484), wk = 0.0034364 k( 213) = ( 0.1666667 0.2974033 0.7017841), wk = 0.0034364 k( 214) = ( 0.1750000 0.2861092 0.7158198), wk = 0.0034364 k( 215) = ( 0.1833333 0.2748152 0.7298555), wk = 0.0034364 k( 216) = ( 0.1916667 0.2635211 0.7438912), wk = 0.0034364 k( 217) = ( 0.2000000 0.2522270 0.7579269), wk = 0.0034364 k( 218) = ( 0.2083333 0.2409330 0.7719625), wk = 0.0034364 k( 219) = ( 0.2166667 0.2296389 0.7859982), wk = 0.0034364 k( 220) = ( 0.2250000 0.2183448 0.8000339), wk = 0.0034364 k( 221) = ( 0.2333333 0.2070508 0.8140696), wk = 0.0034364 k( 222) = ( 0.2416667 0.1957567 0.8281053), wk = 0.0034364 k( 223) = ( 0.2500000 0.1844626 0.8421410), wk = 0.0034364 k( 224) = ( 0.2500000 0.1844626 0.8421410), wk = 0.0034364 k( 225) = ( 0.2631579 0.1941712 0.8300757), wk = 0.0034364 k( 226) = ( 0.2763158 0.2038798 0.8180104), wk = 0.0034364 k( 227) = ( 0.2894737 0.2135883 0.8059451), wk = 0.0034364 k( 228) = ( 0.3026316 0.2232969 0.7938798), wk = 0.0034364 k( 229) = ( 0.3157895 0.2330054 0.7818145), wk = 0.0034364 k( 230) = ( 0.3289474 0.2427140 0.7697492), wk = 0.0034364 k( 231) = ( 0.3421053 0.2524226 0.7576839), wk = 0.0034364 k( 232) = ( 0.3552632 0.2621311 0.7456186), wk = 0.0034364 k( 233) = ( 0.3684211 0.2718397 0.7335533), wk = 0.0034364 k( 234) = ( 0.3815789 0.2815482 0.7214880), wk = 0.0034364 k( 235) = ( 0.3947368 0.2912568 0.7094227), wk = 0.0034364 k( 236) = ( 0.4078947 0.3009654 0.6973574), wk = 0.0034364 k( 237) = ( 0.4210526 0.3106739 0.6852921), wk = 0.0034364 k( 238) = ( 0.4342105 0.3203825 0.6732268), wk = 0.0034364 k( 239) = ( 0.4473684 0.3300910 0.6611615), wk = 0.0034364 k( 240) = ( 0.4605263 0.3397996 0.6490962), wk = 0.0034364 k( 241) = ( 0.4736842 0.3495082 0.6370309), wk = 0.0034364 k( 242) = ( 0.4868421 0.3592167 0.6249656), wk = 0.0034364 k( 243) = ( 0.5000000 0.3689253 0.6129003), wk = 0.0034364 k( 244) = ( 0.5000000 0.3689253 0.6129003), wk = 0.0034364 k( 245) = ( 0.5000000 0.3689253 0.5924703), wk = 0.0034364 k( 246) = ( 0.5000000 0.3689253 0.5720403), wk = 0.0034364 k( 247) = ( 0.5000000 0.3689253 0.5516103), wk = 0.0034364 k( 248) = ( 0.5000000 0.3689253 0.5311803), wk = 0.0034364 k( 249) = ( 0.5000000 0.3689253 0.5107503), wk = 0.0034364 k( 250) = ( 0.5000000 0.3689253 0.4903203), wk = 0.0034364 k( 251) = ( 0.5000000 0.3689253 0.4698902), wk = 0.0034364 k( 252) = ( 0.5000000 0.3689253 0.4494602), wk = 0.0034364 k( 253) = ( 0.5000000 0.3689253 0.4290302), wk = 0.0034364 k( 254) = ( 0.5000000 0.3689253 0.4086002), wk = 0.0034364 k( 255) = ( 0.5000000 0.3689253 0.3881702), wk = 0.0034364 k( 256) = ( 0.5000000 0.3689253 0.3677402), wk = 0.0034364 k( 257) = ( 0.5000000 0.3689253 0.3473102), wk = 0.0034364 k( 258) = ( 0.5000000 0.3689253 0.3268802), wk = 0.0034364 k( 259) = ( 0.5000000 0.3689253 0.3064502), wk = 0.0034364 k( 260) = ( 0.5000000 0.3689253 0.2860202), wk = 0.0034364 k( 261) = ( 0.5000000 0.3689253 0.2655901), wk = 0.0034364 k( 262) = ( 0.5000000 0.3689253 0.2451601), wk = 0.0034364 k( 263) = ( 0.5000000 0.3689253 0.2247301), wk = 0.0034364 k( 264) = ( 0.5000000 0.3689253 0.2043001), wk = 0.0034364 k( 265) = ( 0.5000000 0.3689253 0.1838701), wk = 0.0034364 k( 266) = ( 0.5000000 0.3689253 0.1634401), wk = 0.0034364 k( 267) = ( 0.5000000 0.3689253 0.1430101), wk = 0.0034364 k( 268) = ( 0.5000000 0.3689253 0.1225801), wk = 0.0034364 k( 269) = ( 0.5000000 0.3689253 0.1021500), wk = 0.0034364 k( 270) = ( 0.5000000 0.3689253 0.0817200), wk = 0.0034364 k( 271) = ( 0.5000000 0.3689253 0.0612900), wk = 0.0034364 k( 272) = ( 0.5000000 0.3689253 0.0408600), wk = 0.0034364 k( 273) = ( 0.5000000 0.3689253 0.0204300), wk = 0.0034364 k( 274) = ( 0.5000000 0.3689253 -0.0000000), wk = 0.0034364 k( 275) = ( 0.0000000 0.0000000 0.8421410), wk = 0.0034364 k( 276) = ( 0.0156250 0.0115289 0.8421410), wk = 0.0034364 k( 277) = ( 0.0312500 0.0230578 0.8421410), wk = 0.0034364 k( 278) = ( 0.0468750 0.0345867 0.8421410), wk = 0.0034364 k( 279) = ( 0.0625000 0.0461157 0.8421410), wk = 0.0034364 k( 280) = ( 0.0781250 0.0576446 0.8421410), wk = 0.0034364 k( 281) = ( 0.0937500 0.0691735 0.8421410), wk = 0.0034364 k( 282) = ( 0.1093750 0.0807024 0.8421410), wk = 0.0034364 k( 283) = ( 0.1250000 0.0922313 0.8421410), wk = 0.0034364 k( 284) = ( 0.1406250 0.1037602 0.8421410), wk = 0.0034364 k( 285) = ( 0.1562500 0.1152891 0.8421410), wk = 0.0034364 k( 286) = ( 0.1718750 0.1268181 0.8421410), wk = 0.0034364 k( 287) = ( 0.1875000 0.1383470 0.8421410), wk = 0.0034364 k( 288) = ( 0.2031250 0.1498759 0.8421410), wk = 0.0034364 k( 289) = ( 0.2187500 0.1614048 0.8421410), wk = 0.0034364 k( 290) = ( 0.2343750 0.1729337 0.8421410), wk = 0.0034364 k( 291) = ( 0.2500000 0.1844626 0.8421410), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0034364 k( 3) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034364 k( 4) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0034364 k( 5) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034364 k( 6) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0034364 k( 7) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034364 k( 8) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034364 k( 9) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034364 k( 10) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0034364 k( 11) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034364 k( 12) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0034364 k( 13) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034364 k( 14) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0034364 k( 15) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034364 k( 16) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0034364 k( 17) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034364 k( 18) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0034364 k( 19) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034364 k( 20) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0034364 k( 21) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034364 k( 22) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034364 k( 23) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034364 k( 24) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0034364 k( 25) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034364 k( 26) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0034364 k( 27) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034364 k( 28) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0034364 k( 29) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034364 k( 30) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0034364 k( 31) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034364 k( 32) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0034364 k( 33) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034364 k( 34) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0034364 k( 35) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034364 k( 36) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034364 k( 37) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034364 k( 38) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0034364 k( 39) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034364 k( 40) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0034364 k( 41) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034364 k( 42) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0034364 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 44) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 45) = ( -0.0113422 0.0113422 0.5000000), wk = 0.0034364 k( 46) = ( -0.0226843 0.0226843 0.5000000), wk = 0.0034364 k( 47) = ( -0.0340265 0.0340265 0.5000000), wk = 0.0034364 k( 48) = ( -0.0453686 0.0453686 0.5000000), wk = 0.0034364 k( 49) = ( -0.0567108 0.0567108 0.5000000), wk = 0.0034364 k( 50) = ( -0.0680529 0.0680529 0.5000000), wk = 0.0034364 k( 51) = ( -0.0793951 0.0793951 0.5000000), wk = 0.0034364 k( 52) = ( -0.0907372 0.0907372 0.5000000), wk = 0.0034364 k( 53) = ( -0.1020794 0.1020794 0.5000000), wk = 0.0034364 k( 54) = ( -0.1134215 0.1134215 0.5000000), wk = 0.0034364 k( 55) = ( -0.1247637 0.1247637 0.5000000), wk = 0.0034364 k( 56) = ( -0.1361059 0.1361059 0.5000000), wk = 0.0034364 k( 57) = ( -0.1361059 0.1361059 0.5000000), wk = 0.0034364 k( 58) = ( -0.1443762 0.1443762 0.4917297), wk = 0.0034364 k( 59) = ( -0.1526465 0.1526465 0.4834594), wk = 0.0034364 k( 60) = ( -0.1609168 0.1609168 0.4751890), wk = 0.0034364 k( 61) = ( -0.1691872 0.1691872 0.4669187), wk = 0.0034364 k( 62) = ( -0.1774575 0.1774575 0.4586484), wk = 0.0034364 k( 63) = ( -0.1857278 0.1857278 0.4503781), wk = 0.0034364 k( 64) = ( -0.1939981 0.1939981 0.4421078), wk = 0.0034364 k( 65) = ( -0.2022684 0.2022684 0.4338374), wk = 0.0034364 k( 66) = ( -0.2105387 0.2105387 0.4255671), wk = 0.0034364 k( 67) = ( -0.2188091 0.2188091 0.4172968), wk = 0.0034364 k( 68) = ( -0.2270794 0.2270794 0.4090265), wk = 0.0034364 k( 69) = ( -0.2353497 0.2353497 0.4007561), wk = 0.0034364 k( 70) = ( -0.2436200 0.2436200 0.3924858), wk = 0.0034364 k( 71) = ( -0.2518904 0.2518904 0.3842155), wk = 0.0034364 k( 72) = ( -0.2601607 0.2601607 0.3759452), wk = 0.0034364 k( 73) = ( -0.2684310 0.2684310 0.3676749), wk = 0.0034364 k( 74) = ( -0.2767013 0.2767013 0.3594045), wk = 0.0034364 k( 75) = ( -0.2849716 0.2849716 0.3511342), wk = 0.0034364 k( 76) = ( -0.2932420 0.2932420 0.3428639), wk = 0.0034364 k( 77) = ( -0.3015123 0.3015123 0.3345936), wk = 0.0034364 k( 78) = ( -0.3097826 0.3097826 0.3263232), wk = 0.0034364 k( 79) = ( -0.3180529 0.3180529 0.3180529), wk = 0.0034364 k( 80) = ( -0.3180529 0.3180529 0.3180529), wk = 0.0034364 k( 81) = ( -0.3096831 0.3096831 0.3096831), wk = 0.0034364 k( 82) = ( -0.3013133 0.3013133 0.3013133), wk = 0.0034364 k( 83) = ( -0.2929435 0.2929435 0.2929435), wk = 0.0034364 k( 84) = ( -0.2845737 0.2845737 0.2845737), wk = 0.0034364 k( 85) = ( -0.2762039 0.2762039 0.2762039), wk = 0.0034364 k( 86) = ( -0.2678340 0.2678340 0.2678340), wk = 0.0034364 k( 87) = ( -0.2594642 0.2594642 0.2594642), wk = 0.0034364 k( 88) = ( -0.2510944 0.2510944 0.2510944), wk = 0.0034364 k( 89) = ( -0.2427246 0.2427246 0.2427246), wk = 0.0034364 k( 90) = ( -0.2343548 0.2343548 0.2343548), wk = 0.0034364 k( 91) = ( -0.2259850 0.2259850 0.2259850), wk = 0.0034364 k( 92) = ( -0.2176152 0.2176152 0.2176152), wk = 0.0034364 k( 93) = ( -0.2092453 0.2092453 0.2092453), wk = 0.0034364 k( 94) = ( -0.2008755 0.2008755 0.2008755), wk = 0.0034364 k( 95) = ( -0.1925057 0.1925057 0.1925057), wk = 0.0034364 k( 96) = ( -0.1841359 0.1841359 0.1841359), wk = 0.0034364 k( 97) = ( -0.1757661 0.1757661 0.1757661), wk = 0.0034364 k( 98) = ( -0.1673963 0.1673963 0.1673963), wk = 0.0034364 k( 99) = ( -0.1590265 0.1590265 0.1590265), wk = 0.0034364 k( 100) = ( -0.1506567 0.1506566 0.1506567), wk = 0.0034364 k( 101) = ( -0.1422868 0.1422868 0.1422868), wk = 0.0034364 k( 102) = ( -0.1339170 0.1339170 0.1339170), wk = 0.0034364 k( 103) = ( -0.1255472 0.1255472 0.1255472), wk = 0.0034364 k( 104) = ( -0.1171774 0.1171774 0.1171774), wk = 0.0034364 k( 105) = ( -0.1088076 0.1088076 0.1088076), wk = 0.0034364 k( 106) = ( -0.1004378 0.1004378 0.1004378), wk = 0.0034364 k( 107) = ( -0.0920679 0.0920679 0.0920679), wk = 0.0034364 k( 108) = ( -0.0836981 0.0836981 0.0836981), wk = 0.0034364 k( 109) = ( -0.0753283 0.0753283 0.0753283), wk = 0.0034364 k( 110) = ( -0.0669585 0.0669585 0.0669585), wk = 0.0034364 k( 111) = ( -0.0585887 0.0585887 0.0585887), wk = 0.0034364 k( 112) = ( -0.0502189 0.0502189 0.0502189), wk = 0.0034364 k( 113) = ( -0.0418491 0.0418491 0.0418491), wk = 0.0034364 k( 114) = ( -0.0334793 0.0334793 0.0334793), wk = 0.0034364 k( 115) = ( -0.0251094 0.0251094 0.0251094), wk = 0.0034364 k( 116) = ( -0.0167396 0.0167396 0.0167396), wk = 0.0034364 k( 117) = ( -0.0083698 0.0083698 0.0083698), wk = 0.0034364 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 120) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0034364 k( 121) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0034364 k( 122) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0034364 k( 123) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0034364 k( 124) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0034364 k( 125) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0034364 k( 126) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0034364 k( 127) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0034364 k( 128) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0034364 k( 129) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0034364 k( 130) = ( 0.1774194 0.1774194 -0.1774193), wk = 0.0034364 k( 131) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0034364 k( 132) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0034364 k( 133) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0034364 k( 134) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0034364 k( 135) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0034364 k( 136) = ( 0.2741936 0.2741936 -0.2741935), wk = 0.0034364 k( 137) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0034364 k( 138) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0034364 k( 139) = ( 0.3225807 0.3225807 -0.3225806), wk = 0.0034364 k( 140) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0034364 k( 141) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0034364 k( 142) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0034364 k( 143) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0034364 k( 144) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0034364 k( 145) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0034364 k( 146) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0034364 k( 147) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0034364 k( 148) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0034364 k( 149) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0034364 k( 150) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034364 k( 151) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034364 k( 152) = ( 0.4917297 0.5082703 -0.4917297), wk = 0.0034364 k( 153) = ( 0.4834594 0.5165406 -0.4834594), wk = 0.0034364 k( 154) = ( 0.4751890 0.5248110 -0.4751890), wk = 0.0034364 k( 155) = ( 0.4669187 0.5330813 -0.4669187), wk = 0.0034364 k( 156) = ( 0.4586484 0.5413516 -0.4586484), wk = 0.0034364 k( 157) = ( 0.4503781 0.5496219 -0.4503781), wk = 0.0034364 k( 158) = ( 0.4421078 0.5578923 -0.4421077), wk = 0.0034364 k( 159) = ( 0.4338374 0.5661626 -0.4338374), wk = 0.0034364 k( 160) = ( 0.4255671 0.5744329 -0.4255671), wk = 0.0034364 k( 161) = ( 0.4172968 0.5827032 -0.4172968), wk = 0.0034364 k( 162) = ( 0.4090265 0.5909735 -0.4090265), wk = 0.0034364 k( 163) = ( 0.4007561 0.5992439 -0.4007561), wk = 0.0034364 k( 164) = ( 0.3924858 0.6075142 -0.3924858), wk = 0.0034364 k( 165) = ( 0.3842155 0.6157845 -0.3842155), wk = 0.0034364 k( 166) = ( 0.3759452 0.6240548 -0.3759452), wk = 0.0034364 k( 167) = ( 0.3676749 0.6323251 -0.3676749), wk = 0.0034364 k( 168) = ( 0.3594045 0.6405955 -0.3594045), wk = 0.0034364 k( 169) = ( 0.3511342 0.6488658 -0.3511342), wk = 0.0034364 k( 170) = ( 0.3428639 0.6571361 -0.3428639), wk = 0.0034364 k( 171) = ( 0.3345936 0.6654064 -0.3345936), wk = 0.0034364 k( 172) = ( 0.3263233 0.6736768 -0.3263233), wk = 0.0034364 k( 173) = ( 0.3180529 0.6819471 -0.3180529), wk = 0.0034364 k( 174) = ( 0.3180529 0.6819471 -0.3180529), wk = 0.0034364 k( 175) = ( 0.3003833 0.6718389 -0.3003833), wk = 0.0034364 k( 176) = ( 0.2827137 0.6617307 -0.2827137), wk = 0.0034364 k( 177) = ( 0.2650441 0.6516226 -0.2650441), wk = 0.0034364 k( 178) = ( 0.2473745 0.6415144 -0.2473745), wk = 0.0034364 k( 179) = ( 0.2297049 0.6314062 -0.2297049), wk = 0.0034364 k( 180) = ( 0.2120353 0.6212981 -0.2120353), wk = 0.0034364 k( 181) = ( 0.1943657 0.6111899 -0.1943657), wk = 0.0034364 k( 182) = ( 0.1766961 0.6010817 -0.1766961), wk = 0.0034364 k( 183) = ( 0.1590265 0.5909735 -0.1590265), wk = 0.0034364 k( 184) = ( 0.1413569 0.5808654 -0.1413569), wk = 0.0034364 k( 185) = ( 0.1236872 0.5707572 -0.1236872), wk = 0.0034364 k( 186) = ( 0.1060176 0.5606490 -0.1060176), wk = 0.0034364 k( 187) = ( 0.0883480 0.5505408 -0.0883480), wk = 0.0034364 k( 188) = ( 0.0706784 0.5404327 -0.0706784), wk = 0.0034364 k( 189) = ( 0.0530088 0.5303245 -0.0530088), wk = 0.0034364 k( 190) = ( 0.0353392 0.5202163 -0.0353392), wk = 0.0034364 k( 191) = ( 0.0176696 0.5101082 -0.0176696), wk = 0.0034364 k( 192) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 193) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 194) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0034364 k( 195) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0034364 k( 196) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0034364 k( 197) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0034364 k( 198) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0034364 k( 199) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0034364 k( 200) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0034364 k( 201) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0034364 k( 202) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0034364 k( 203) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0034364 k( 204) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0034364 k( 205) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0034364 k( 206) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0034364 k( 207) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0034364 k( 208) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0034364 k( 209) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0034364 k( 210) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0034364 k( 211) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0034364 k( 212) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0034364 k( 213) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0034364 k( 214) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0034364 k( 215) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0034364 k( 216) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0034364 k( 217) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0034364 k( 218) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0034364 k( 219) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0034364 k( 220) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0034364 k( 221) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0034364 k( 222) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0034364 k( 223) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034364 k( 224) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034364 k( 225) = ( 0.2631579 0.2631579 0.2296786), wk = 0.0034364 k( 226) = ( 0.2763158 0.2763158 0.2093573), wk = 0.0034364 k( 227) = ( 0.2894737 0.2894737 0.1890359), wk = 0.0034364 k( 228) = ( 0.3026316 0.3026316 0.1687146), wk = 0.0034364 k( 229) = ( 0.3157895 0.3157895 0.1483932), wk = 0.0034364 k( 230) = ( 0.3289474 0.3289474 0.1280718), wk = 0.0034364 k( 231) = ( 0.3421053 0.3421053 0.1077505), wk = 0.0034364 k( 232) = ( 0.3552632 0.3552632 0.0874291), wk = 0.0034364 k( 233) = ( 0.3684211 0.3684211 0.0671078), wk = 0.0034364 k( 234) = ( 0.3815789 0.3815789 0.0467864), wk = 0.0034364 k( 235) = ( 0.3947368 0.3947368 0.0264650), wk = 0.0034364 k( 236) = ( 0.4078947 0.4078947 0.0061437), wk = 0.0034364 k( 237) = ( 0.4210526 0.4210526 -0.0141777), wk = 0.0034364 k( 238) = ( 0.4342105 0.4342105 -0.0344990), wk = 0.0034364 k( 239) = ( 0.4473684 0.4473684 -0.0548204), wk = 0.0034364 k( 240) = ( 0.4605263 0.4605263 -0.0751418), wk = 0.0034364 k( 241) = ( 0.4736842 0.4736842 -0.0954631), wk = 0.0034364 k( 242) = ( 0.4868421 0.4868421 -0.1157845), wk = 0.0034364 k( 243) = ( 0.5000000 0.5000000 -0.1361059), wk = 0.0034364 k( 244) = ( 0.5000000 0.5000000 -0.1361059), wk = 0.0034364 k( 245) = ( 0.5000000 0.5000000 -0.1482357), wk = 0.0034364 k( 246) = ( 0.5000000 0.5000000 -0.1603655), wk = 0.0034364 k( 247) = ( 0.5000000 0.5000000 -0.1724953), wk = 0.0034364 k( 248) = ( 0.5000000 0.5000000 -0.1846251), wk = 0.0034364 k( 249) = ( 0.5000000 0.5000000 -0.1967549), wk = 0.0034364 k( 250) = ( 0.5000000 0.5000000 -0.2088847), wk = 0.0034364 k( 251) = ( 0.5000000 0.5000000 -0.2210145), wk = 0.0034364 k( 252) = ( 0.5000000 0.5000000 -0.2331443), wk = 0.0034364 k( 253) = ( 0.5000000 0.5000000 -0.2452741), wk = 0.0034364 k( 254) = ( 0.5000000 0.5000000 -0.2574039), wk = 0.0034364 k( 255) = ( 0.5000000 0.5000000 -0.2695337), wk = 0.0034364 k( 256) = ( 0.5000000 0.5000000 -0.2816635), wk = 0.0034364 k( 257) = ( 0.5000000 0.5000000 -0.2937933), wk = 0.0034364 k( 258) = ( 0.5000000 0.5000000 -0.3059231), wk = 0.0034364 k( 259) = ( 0.5000000 0.5000000 -0.3180529), wk = 0.0034364 k( 260) = ( 0.5000000 0.5000000 -0.3301827), wk = 0.0034364 k( 261) = ( 0.5000000 0.5000000 -0.3423125), wk = 0.0034364 k( 262) = ( 0.5000000 0.5000000 -0.3544423), wk = 0.0034364 k( 263) = ( 0.5000000 0.5000000 -0.3665721), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 -0.3787019), wk = 0.0034364 k( 265) = ( 0.5000000 0.5000000 -0.3908318), wk = 0.0034364 k( 266) = ( 0.5000000 0.5000000 -0.4029616), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 -0.4150914), wk = 0.0034364 k( 268) = ( 0.5000000 0.5000000 -0.4272212), wk = 0.0034364 k( 269) = ( 0.5000000 0.5000000 -0.4393510), wk = 0.0034364 k( 270) = ( 0.5000000 0.5000000 -0.4514808), wk = 0.0034364 k( 271) = ( 0.5000000 0.5000000 -0.4636106), wk = 0.0034364 k( 272) = ( 0.5000000 0.5000000 -0.4757404), wk = 0.0034364 k( 273) = ( 0.5000000 0.5000000 -0.4878702), wk = 0.0034364 k( 274) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034364 k( 275) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 276) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0034364 k( 277) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0034364 k( 278) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0034364 k( 279) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0034364 k( 280) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0034364 k( 281) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0034364 k( 282) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0034364 k( 283) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034364 k( 284) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0034364 k( 285) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0034364 k( 286) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0034364 k( 287) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0034364 k( 288) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0034364 k( 289) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0034364 k( 290) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0034364 k( 291) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034364 Dense grid: 78787 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 42867 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 338, 62) NL pseudopotentials 0.53 Mb ( 169, 204) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.02 Mb ( 2463) G-vector shells 0.01 Mb ( 1123) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 338, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.39 Mb ( 204, 2, 62) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./ZnCl2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.9 secs Computing kpt #: 2 total cpu time spent up to now is 6.3 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 9.5 secs Computing kpt #: 5 total cpu time spent up to now is 11.1 secs Computing kpt #: 6 total cpu time spent up to now is 12.7 secs Computing kpt #: 7 total cpu time spent up to now is 14.4 secs Computing kpt #: 8 total cpu time spent up to now is 16.1 secs Computing kpt #: 9 total cpu time spent up to now is 17.7 secs Computing kpt #: 10 total cpu time spent up to now is 19.4 secs Computing kpt #: 11 total cpu time spent up to now is 21.1 secs Computing kpt #: 12 total cpu time spent up to now is 22.7 secs Computing kpt #: 13 total cpu time spent up to now is 24.4 secs Computing kpt #: 14 total cpu time spent up to now is 26.1 secs Computing kpt #: 15 total cpu time spent up to now is 27.8 secs Computing kpt #: 16 total cpu time spent up to now is 29.5 secs Computing kpt #: 17 total cpu time spent up to now is 31.2 secs Computing kpt #: 18 total cpu time spent up to now is 33.0 secs Computing kpt #: 19 total cpu time spent up to now is 34.7 secs Computing kpt #: 20 total cpu time spent up to now is 36.4 secs Computing kpt #: 21 total cpu time spent up to now is 38.2 secs Computing kpt #: 22 total cpu time spent up to now is 39.9 secs Computing kpt #: 23 total cpu time spent up to now is 42.1 secs Computing kpt #: 24 total cpu time spent up to now is 43.9 secs Computing kpt #: 25 total cpu time spent up to now is 45.7 secs Computing kpt #: 26 total cpu time spent up to now is 47.8 secs Computing kpt #: 27 total cpu time spent up to now is 49.9 secs Computing kpt #: 28 total cpu time spent up to now is 51.7 secs Computing kpt #: 29 total cpu time spent up to now is 54.2 secs Computing kpt #: 30 total cpu time spent up to now is 57.0 secs Computing kpt #: 31 total cpu time spent up to now is 59.6 secs Computing kpt #: 32 total cpu time spent up to now is 61.7 secs Computing kpt #: 33 total cpu time spent up to now is 63.9 secs Computing kpt #: 34 total cpu time spent up to now is 66.0 secs Computing kpt #: 35 total cpu time spent up to now is 68.2 secs Computing kpt #: 36 total cpu time spent up to now is 70.3 secs Computing kpt #: 37 total cpu time spent up to now is 72.5 secs Computing kpt #: 38 total cpu time spent up to now is 74.7 secs Computing kpt #: 39 total cpu time spent up to now is 76.6 secs Computing kpt #: 40 total cpu time spent up to now is 78.6 secs Computing kpt #: 41 total cpu time spent up to now is 80.8 secs Computing kpt #: 42 total cpu time spent up to now is 82.9 secs Computing kpt #: 43 total cpu time spent up to now is 85.1 secs Computing kpt #: 44 total cpu time spent up to now is 87.3 secs Computing kpt #: 45 total cpu time spent up to now is 89.5 secs Computing kpt #: 46 total cpu time spent up to now is 92.2 secs Computing kpt #: 47 total cpu time spent up to now is 94.4 secs Computing kpt #: 48 total cpu time spent up to now is 96.6 secs Computing kpt #: 49 total cpu time spent up to now is 98.8 secs Computing kpt #: 50 total cpu time spent up to now is 100.7 secs Computing kpt #: 51 total cpu time spent up to now is 102.8 secs Computing kpt #: 52 total cpu time spent up to now is 104.7 secs Computing kpt #: 53 total cpu time spent up to now is 106.8 secs Computing kpt #: 54 total cpu time spent up to now is 108.7 secs Computing kpt #: 55 total cpu time spent up to now is 111.3 secs Computing kpt #: 56 total cpu time spent up to now is 113.5 secs Computing kpt #: 57 total cpu time spent up to now is 115.7 secs Computing kpt #: 58 total cpu time spent up to now is 117.9 secs Computing kpt #: 59 total cpu time spent up to now is 120.1 secs Computing kpt #: 60 total cpu time spent up to now is 122.3 secs Computing kpt #: 61 total cpu time spent up to now is 124.1 secs Computing kpt #: 62 total cpu time spent up to now is 125.9 secs Computing kpt #: 63 total cpu time spent up to now is 127.7 secs Computing kpt #: 64 total cpu time spent up to now is 129.5 secs Computing kpt #: 65 total cpu time spent up to now is 131.7 secs Computing kpt #: 66 total cpu time spent up to now is 133.5 secs Computing kpt #: 67 total cpu time spent up to now is 135.6 secs Computing kpt #: 68 total cpu time spent up to now is 137.8 secs Computing kpt #: 69 total cpu time spent up to now is 139.9 secs Computing kpt #: 70 total cpu time spent up to now is 142.4 secs Computing kpt #: 71 total cpu time spent up to now is 145.0 secs Computing kpt #: 72 total cpu time spent up to now is 147.1 secs Computing kpt #: 73 total cpu time spent up to now is 149.6 secs Computing kpt #: 74 total cpu time spent up to now is 152.2 secs Computing kpt #: 75 total cpu time spent up to now is 154.8 secs Computing kpt #: 76 total cpu time spent up to now is 156.9 secs Computing kpt #: 77 total cpu time spent up to now is 158.8 secs Computing kpt #: 78 total cpu time spent up to now is 160.9 secs Computing kpt #: 79 total cpu time spent up to now is 163.1 secs Computing kpt #: 80 total cpu time spent up to now is 165.0 secs Computing kpt #: 81 total cpu time spent up to now is 167.4 secs Computing kpt #: 82 total cpu time spent up to now is 169.5 secs Computing kpt #: 83 total cpu time spent up to now is 171.6 secs Computing kpt #: 84 total cpu time spent up to now is 173.8 secs Computing kpt #: 85 total cpu time spent up to now is 175.9 secs Computing kpt #: 86 total cpu time spent up to now is 178.0 secs Computing kpt #: 87 total cpu time spent up to now is 180.2 secs Computing kpt #: 88 total cpu time spent up to now is 182.4 secs Computing kpt #: 89 total cpu time spent up to now is 184.7 secs Computing kpt #: 90 total cpu time spent up to now is 189.4 secs Computing kpt #: 91 total cpu time spent up to now is 192.5 secs Computing kpt #: 92 total cpu time spent up to now is 195.0 secs Computing kpt #: 93 total cpu time spent up to now is 197.6 secs Computing kpt #: 94 total cpu time spent up to now is 200.2 secs Computing kpt #: 95 total cpu time spent up to now is 202.7 secs Computing kpt #: 96 total cpu time spent up to now is 204.5 secs Computing kpt #: 97 total cpu time spent up to now is 206.3 secs Computing kpt #: 98 total cpu time spent up to now is 208.0 secs Computing kpt #: 99 total cpu time spent up to now is 209.8 secs Computing kpt #: 100 total cpu time spent up to now is 211.5 secs Computing kpt #: 101 total cpu time spent up to now is 213.2 secs Computing kpt #: 102 total cpu time spent up to now is 215.0 secs Computing kpt #: 103 total cpu time spent up to now is 216.7 secs Computing kpt #: 104 total cpu time spent up to now is 218.4 secs Computing kpt #: 105 total cpu time spent up to now is 220.1 secs Computing kpt #: 106 total cpu time spent up to now is 221.8 secs Computing kpt #: 107 total cpu time spent up to now is 223.5 secs Computing kpt #: 108 total cpu time spent up to now is 225.2 secs Computing kpt #: 109 total cpu time spent up to now is 226.9 secs Computing kpt #: 110 total cpu time spent up to now is 228.6 secs Computing kpt #: 111 total cpu time spent up to now is 230.2 secs Computing kpt #: 112 total cpu time spent up to now is 231.9 secs Computing kpt #: 113 total cpu time spent up to now is 233.5 secs Computing kpt #: 114 total cpu time spent up to now is 235.1 secs Computing kpt #: 115 total cpu time spent up to now is 236.7 secs Computing kpt #: 116 total cpu time spent up to now is 238.3 secs Computing kpt #: 117 total cpu time spent up to now is 239.9 secs Computing kpt #: 118 total cpu time spent up to now is 241.4 secs Computing kpt #: 119 total cpu time spent up to now is 242.8 secs Computing kpt #: 120 total cpu time spent up to now is 244.4 secs Computing kpt #: 121 total cpu time spent up to now is 246.0 secs Computing kpt #: 122 total cpu time spent up to now is 247.5 secs Computing kpt #: 123 total cpu time spent up to now is 249.1 secs Computing kpt #: 124 total cpu time spent up to now is 250.7 secs Computing kpt #: 125 total cpu time spent up to now is 252.3 secs Computing kpt #: 126 total cpu time spent up to now is 253.8 secs Computing kpt #: 127 total cpu time spent up to now is 255.4 secs Computing kpt #: 128 total cpu time spent up to now is 257.0 secs Computing kpt #: 129 total cpu time spent up to now is 258.6 secs Computing kpt #: 130 total cpu time spent up to now is 260.1 secs Computing kpt #: 131 total cpu time spent up to now is 261.5 secs Computing kpt #: 132 total cpu time spent up to now is 262.9 secs Computing kpt #: 133 total cpu time spent up to now is 264.3 secs Computing kpt #: 134 total cpu time spent up to now is 265.8 secs Computing kpt #: 135 total cpu time spent up to now is 267.2 secs Computing kpt #: 136 total cpu time spent up to now is 268.6 secs Computing kpt #: 137 total cpu time spent up to now is 270.0 secs Computing kpt #: 138 total cpu time spent up to now is 271.4 secs Computing kpt #: 139 total cpu time spent up to now is 272.8 secs Computing kpt #: 140 total cpu time spent up to now is 274.3 secs Computing kpt #: 141 total cpu time spent up to now is 275.9 secs Computing kpt #: 142 total cpu time spent up to now is 277.5 secs Computing kpt #: 143 total cpu time spent up to now is 279.1 secs Computing kpt #: 144 total cpu time spent up to now is 280.7 secs Computing kpt #: 145 total cpu time spent up to now is 282.3 secs Computing kpt #: 146 total cpu time spent up to now is 283.9 secs Computing kpt #: 147 total cpu time spent up to now is 285.6 secs Computing kpt #: 148 total cpu time spent up to now is 287.3 secs Computing kpt #: 149 total cpu time spent up to now is 289.0 secs Computing kpt #: 150 total cpu time spent up to now is 290.4 secs Computing kpt #: 151 total cpu time spent up to now is 291.9 secs Computing kpt #: 152 total cpu time spent up to now is 293.7 secs Computing kpt #: 153 total cpu time spent up to now is 295.5 secs Computing kpt #: 154 total cpu time spent up to now is 297.3 secs Computing kpt #: 155 total cpu time spent up to now is 299.1 secs Computing kpt #: 156 total cpu time spent up to now is 300.9 secs Computing kpt #: 157 total cpu time spent up to now is 302.7 secs Computing kpt #: 158 total cpu time spent up to now is 304.5 secs Computing kpt #: 159 total cpu time spent up to now is 306.4 secs Computing kpt #: 160 total cpu time spent up to now is 308.2 secs Computing kpt #: 161 total cpu time spent up to now is 310.0 secs Computing kpt #: 162 total cpu time spent up to now is 311.8 secs Computing kpt #: 163 total cpu time spent up to now is 313.7 secs Computing kpt #: 164 total cpu time spent up to now is 315.5 secs Computing kpt #: 165 total cpu time spent up to now is 317.4 secs Computing kpt #: 166 total cpu time spent up to now is 319.2 secs Computing kpt #: 167 total cpu time spent up to now is 321.0 secs Computing kpt #: 168 total cpu time spent up to now is 322.9 secs Computing kpt #: 169 total cpu time spent up to now is 325.0 secs Computing kpt #: 170 total cpu time spent up to now is 326.9 secs Computing kpt #: 171 total cpu time spent up to now is 328.8 secs Computing kpt #: 172 total cpu time spent up to now is 330.7 secs Computing kpt #: 173 total cpu time spent up to now is 332.8 secs Computing kpt #: 174 total cpu time spent up to now is 334.7 secs Computing kpt #: 175 total cpu time spent up to now is 336.8 secs Computing kpt #: 176 total cpu time spent up to now is 338.7 secs Computing kpt #: 177 total cpu time spent up to now is 340.5 secs Computing kpt #: 178 total cpu time spent up to now is 342.3 secs Computing kpt #: 179 total cpu time spent up to now is 344.1 secs Computing kpt #: 180 total cpu time spent up to now is 345.9 secs Computing kpt #: 181 total cpu time spent up to now is 347.6 secs Computing kpt #: 182 total cpu time spent up to now is 349.4 secs Computing kpt #: 183 total cpu time spent up to now is 351.2 secs Computing kpt #: 184 total cpu time spent up to now is 353.0 secs Computing kpt #: 185 total cpu time spent up to now is 354.7 secs Computing kpt #: 186 total cpu time spent up to now is 356.5 secs Computing kpt #: 187 total cpu time spent up to now is 358.2 secs Computing kpt #: 188 total cpu time spent up to now is 360.0 secs Computing kpt #: 189 total cpu time spent up to now is 361.7 secs Computing kpt #: 190 total cpu time spent up to now is 363.5 secs Computing kpt #: 191 total cpu time spent up to now is 365.2 secs Computing kpt #: 192 total cpu time spent up to now is 366.9 secs Computing kpt #: 193 total cpu time spent up to now is 368.6 secs Computing kpt #: 194 total cpu time spent up to now is 370.3 secs Computing kpt #: 195 total cpu time spent up to now is 372.1 secs Computing kpt #: 196 total cpu time spent up to now is 373.8 secs Computing kpt #: 197 total cpu time spent up to now is 375.5 secs Computing kpt #: 198 total cpu time spent up to now is 377.3 secs Computing kpt #: 199 total cpu time spent up to now is 379.0 secs Computing kpt #: 200 total cpu time spent up to now is 380.7 secs Computing kpt #: 201 total cpu time spent up to now is 382.5 secs Computing kpt #: 202 total cpu time spent up to now is 384.2 secs Computing kpt #: 203 total cpu time spent up to now is 385.9 secs Computing kpt #: 204 total cpu time spent up to now is 387.6 secs Computing kpt #: 205 total cpu time spent up to now is 389.4 secs Computing kpt #: 206 total cpu time spent up to now is 391.1 secs Computing kpt #: 207 total cpu time spent up to now is 392.9 secs Computing kpt #: 208 total cpu time spent up to now is 394.6 secs Computing kpt #: 209 total cpu time spent up to now is 396.4 secs Computing kpt #: 210 total cpu time spent up to now is 398.1 secs Computing kpt #: 211 total cpu time spent up to now is 399.9 secs Computing kpt #: 212 total cpu time spent up to now is 401.7 secs Computing kpt #: 213 total cpu time spent up to now is 403.5 secs Computing kpt #: 214 total cpu time spent up to now is 405.3 secs Computing kpt #: 215 total cpu time spent up to now is 407.2 secs Computing kpt #: 216 total cpu time spent up to now is 409.1 secs Computing kpt #: 217 total cpu time spent up to now is 411.1 secs Computing kpt #: 218 total cpu time spent up to now is 413.0 secs Computing kpt #: 219 total cpu time spent up to now is 415.2 secs Computing kpt #: 220 total cpu time spent up to now is 417.1 secs Computing kpt #: 221 total cpu time spent up to now is 419.3 secs Computing kpt #: 222 total cpu time spent up to now is 421.5 secs Computing kpt #: 223 total cpu time spent up to now is 423.6 secs Computing kpt #: 224 total cpu time spent up to now is 426.3 secs Computing kpt #: 225 total cpu time spent up to now is 428.9 secs Computing kpt #: 226 total cpu time spent up to now is 431.1 secs Computing kpt #: 227 total cpu time spent up to now is 433.3 secs Computing kpt #: 228 total cpu time spent up to now is 435.4 secs Computing kpt #: 229 total cpu time spent up to now is 437.6 secs Computing kpt #: 230 total cpu time spent up to now is 439.8 secs Computing kpt #: 231 total cpu time spent up to now is 442.0 secs Computing kpt #: 232 total cpu time spent up to now is 444.2 secs Computing kpt #: 233 total cpu time spent up to now is 446.8 secs Computing kpt #: 234 total cpu time spent up to now is 449.0 secs Computing kpt #: 235 total cpu time spent up to now is 450.9 secs Computing kpt #: 236 total cpu time spent up to now is 452.7 secs Computing kpt #: 237 total cpu time spent up to now is 454.5 secs Computing kpt #: 238 total cpu time spent up to now is 456.3 secs Computing kpt #: 239 total cpu time spent up to now is 458.1 secs Computing kpt #: 240 total cpu time spent up to now is 459.9 secs Computing kpt #: 241 total cpu time spent up to now is 461.9 secs Computing kpt #: 242 total cpu time spent up to now is 464.1 secs Computing kpt #: 243 total cpu time spent up to now is 466.2 secs Computing kpt #: 244 total cpu time spent up to now is 468.5 secs Computing kpt #: 245 total cpu time spent up to now is 470.6 secs Computing kpt #: 246 total cpu time spent up to now is 472.5 secs Computing kpt #: 247 total cpu time spent up to now is 474.6 secs Computing kpt #: 248 total cpu time spent up to now is 476.8 secs Computing kpt #: 249 total cpu time spent up to now is 478.9 secs Computing kpt #: 250 total cpu time spent up to now is 481.5 secs Computing kpt #: 251 total cpu time spent up to now is 483.6 secs Computing kpt #: 252 total cpu time spent up to now is 487.0 secs Computing kpt #: 253 total cpu time spent up to now is 490.8 secs Computing kpt #: 254 total cpu time spent up to now is 493.3 secs Computing kpt #: 255 total cpu time spent up to now is 495.5 secs Computing kpt #: 256 total cpu time spent up to now is 497.6 secs Computing kpt #: 257 total cpu time spent up to now is 500.1 secs Computing kpt #: 258 total cpu time spent up to now is 502.2 secs Computing kpt #: 259 total cpu time spent up to now is 504.3 secs Computing kpt #: 260 total cpu time spent up to now is 506.1 secs Computing kpt #: 261 total cpu time spent up to now is 507.9 secs Computing kpt #: 262 total cpu time spent up to now is 509.7 secs Computing kpt #: 263 total cpu time spent up to now is 511.5 secs Computing kpt #: 264 total cpu time spent up to now is 513.3 secs Computing kpt #: 265 total cpu time spent up to now is 515.1 secs Computing kpt #: 266 total cpu time spent up to now is 516.8 secs Computing kpt #: 267 total cpu time spent up to now is 518.6 secs Computing kpt #: 268 total cpu time spent up to now is 520.4 secs Computing kpt #: 269 total cpu time spent up to now is 522.1 secs Computing kpt #: 270 total cpu time spent up to now is 523.9 secs Computing kpt #: 271 total cpu time spent up to now is 525.6 secs Computing kpt #: 272 total cpu time spent up to now is 527.4 secs Computing kpt #: 273 total cpu time spent up to now is 529.1 secs Computing kpt #: 274 total cpu time spent up to now is 530.5 secs Computing kpt #: 275 total cpu time spent up to now is 533.1 secs Computing kpt #: 276 total cpu time spent up to now is 535.5 secs Computing kpt #: 277 total cpu time spent up to now is 537.7 secs Computing kpt #: 278 total cpu time spent up to now is 539.9 secs Computing kpt #: 279 total cpu time spent up to now is 543.1 secs Computing kpt #: 280 total cpu time spent up to now is 545.3 secs Computing kpt #: 281 total cpu time spent up to now is 548.0 secs Computing kpt #: 282 total cpu time spent up to now is 550.6 secs Computing kpt #: 283 total cpu time spent up to now is 552.9 secs Computing kpt #: 284 total cpu time spent up to now is 555.5 secs Computing kpt #: 285 total cpu time spent up to now is 558.2 secs Computing kpt #: 286 total cpu time spent up to now is 560.8 secs Computing kpt #: 287 total cpu time spent up to now is 563.4 secs Computing kpt #: 288 total cpu time spent up to now is 565.6 secs Computing kpt #: 289 total cpu time spent up to now is 567.8 secs Computing kpt #: 290 total cpu time spent up to now is 570.4 secs Computing kpt #: 291 total cpu time spent up to now is 572.4 secs ethr = 1.92E-11, avg # of iterations = 36.6 total cpu time spent up to now is 572.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -12.3974 -12.3974 -11.7422 -11.7422 -11.7400 -11.7400 -11.7000 -11.7000 -3.7636 -3.7636 -3.6833 -3.6833 -3.5338 -3.5338 -3.4882 -3.4882 -3.3426 -3.3426 -3.2672 -3.2672 -3.2015 -3.2015 -3.0665 -3.0665 -3.0407 -3.0407 -2.9951 -2.9951 -2.6197 -2.6197 -1.2647 -1.2647 -0.6210 -0.6210 -0.6081 -0.6081 -0.3426 -0.3426 -0.3202 -0.3202 0.1375 0.1375 0.4516 0.4516 0.4921 0.4921 1.3964 1.3964 1.4822 1.4822 1.5267 1.5267 5.3901 5.3901 7.6462 7.6462 7.8413 7.8413 9.3075 9.3075 9.3437 9.3437 k = 0.0000 0.0000 0.0201 ( 5337 PWs) bands (ev): -12.3970 -12.3970 -11.7424 -11.7424 -11.7402 -11.7402 -11.7000 -11.6999 -3.7656 -3.7615 -3.6839 -3.6828 -3.5354 -3.5326 -3.4913 -3.4848 -3.3445 -3.3408 -3.2673 -3.2671 -3.2069 -3.1962 -3.0678 -3.0661 -3.0414 -3.0393 -2.9964 -2.9940 -2.6213 -2.6170 -1.2683 -1.2648 -0.6246 -0.6203 -0.6099 -0.6078 -0.3419 -0.3397 -0.3182 -0.3179 0.1370 0.1397 0.4514 0.4530 0.4922 0.4930 1.3942 1.3959 1.4806 1.4806 1.5246 1.5269 5.3933 5.3934 7.6464 7.6475 7.8438 7.8441 9.3080 9.3089 9.3446 9.3448 k = 0.0000 0.0000 0.0401 ( 5345 PWs) bands (ev): -12.3959 -12.3959 -11.7431 -11.7430 -11.7408 -11.7408 -11.7002 -11.6999 -3.7675 -3.7594 -3.6847 -3.6825 -3.5371 -3.5317 -3.4938 -3.4810 -3.3462 -3.3388 -3.2676 -3.2671 -3.2126 -3.1913 -3.0697 -3.0667 -3.0414 -3.0375 -2.9977 -2.9928 -2.6219 -2.6133 -1.2756 -1.2689 -0.6300 -0.6236 -0.6136 -0.6077 -0.3381 -0.3349 -0.3119 -0.3102 0.1380 0.1434 0.4524 0.4557 0.4933 0.4947 1.3889 1.3924 1.4759 1.4763 1.5208 1.5250 5.4030 5.4032 7.6478 7.6500 7.8518 7.8522 9.3104 9.3122 9.3476 9.3480 k = 0.0000 0.0000 0.0602 ( 5345 PWs) bands (ev): -12.3939 -12.3939 -11.7441 -11.7440 -11.7419 -11.7418 -11.7004 -11.7000 -3.7692 -3.7570 -3.6855 -3.6822 -3.5390 -3.5312 -3.4958 -3.4769 -3.3477 -3.3368 -3.2679 -3.2672 -3.2184 -3.1866 -3.0720 -3.0681 -3.0408 -3.0352 -2.9991 -2.9918 -2.6215 -2.6087 -1.2865 -1.2768 -0.6365 -0.6306 -0.6185 -0.6072 -0.3330 -0.3301 -0.3002 -0.2965 0.1405 0.1483 0.4545 0.4598 0.4956 0.4974 1.3799 1.3855 1.4684 1.4699 1.5155 1.5213 5.4191 5.4193 7.6503 7.6536 7.8654 7.8659 9.3143 9.3173 9.3528 9.3536 k = 0.0000 0.0000 0.0802 ( 5353 PWs) bands (ev): -12.3912 -12.3912 -11.7455 -11.7454 -11.7433 -11.7432 -11.7006 -11.7001 -3.7708 -3.7546 -3.6864 -3.6821 -3.5410 -3.5312 -3.4971 -3.4726 -3.3492 -3.3348 -3.2683 -3.2674 -3.2243 -3.1822 -3.0747 -3.0701 -3.0400 -3.0327 -3.0004 -2.9909 -2.6199 -2.6033 -1.3009 -1.2886 -0.6442 -0.6404 -0.6232 -0.6060 -0.3283 -0.3258 -0.2830 -0.2776 0.1444 0.1543 0.4579 0.4652 0.4994 0.5012 1.3665 1.3743 1.4590 1.4622 1.5090 1.5158 5.4412 5.4416 7.6535 7.6578 7.8848 7.8853 9.3195 9.3238 9.3602 9.3617 k = 0.0000 0.0000 0.1003 ( 5353 PWs) bands (ev): -12.3877 -12.3877 -11.7474 -11.7472 -11.7450 -11.7449 -11.7009 -11.7003 -3.7722 -3.7521 -3.6874 -3.6820 -3.5431 -3.5317 -3.4977 -3.4681 -3.3506 -3.3328 -3.2689 -3.2677 -3.2302 -3.1781 -3.0775 -3.0725 -3.0392 -3.0300 -3.0016 -2.9900 -2.6174 -2.5973 -1.3186 -1.3042 -0.6538 -0.6521 -0.6258 -0.6037 -0.3246 -0.3221 -0.2613 -0.2550 0.1496 0.1610 0.4627 0.4721 0.5048 0.5063 1.3480 1.3580 1.4489 1.4540 1.5014 1.5089 5.4691 5.4696 7.6570 7.6621 7.9100 7.9104 9.3255 9.3313 9.3703 9.3726 k = 0.0000 0.0000 0.1203 ( 5347 PWs) bands (ev): -12.3834 -12.3834 -11.7497 -11.7495 -11.7472 -11.7470 -11.7013 -11.7006 -3.7734 -3.7495 -3.6885 -3.6821 -3.5453 -3.5326 -3.4976 -3.4634 -3.3518 -3.3309 -3.2695 -3.2680 -3.2359 -3.1743 -3.0804 -3.0752 -3.0384 -3.0273 -3.0027 -2.9893 -2.6140 -2.5906 -1.3394 -1.3235 -0.6651 -0.6649 -0.6250 -0.5995 -0.3223 -0.3193 -0.2363 -0.2296 0.1560 0.1682 0.4693 0.4805 0.5118 0.5128 1.3244 1.3361 1.4388 1.4458 1.4929 1.5007 5.5024 5.5030 7.6604 7.6663 7.9409 7.9412 9.3320 9.3393 9.3833 9.3864 k = 0.0000 0.0000 0.1404 ( 5361 PWs) bands (ev): -12.3784 -12.3784 -11.7523 -11.7521 -11.7496 -11.7494 -11.7018 -11.7010 -3.7746 -3.7468 -3.6896 -3.6823 -3.5475 -3.5339 -3.4971 -3.4587 -3.3530 -3.3291 -3.2705 -3.2686 -3.2412 -3.1707 -3.0833 -3.0781 -3.0380 -3.0246 -3.0038 -2.9887 -2.6097 -2.5835 -1.3631 -1.3460 -0.6783 -0.6775 -0.6208 -0.5932 -0.3219 -0.3178 -0.2089 -0.2025 0.1634 0.1759 0.4778 0.4906 0.5203 0.5208 1.2959 1.3088 1.4289 1.4374 1.4835 1.4915 5.5406 5.5413 7.6634 7.6700 7.9773 7.9774 9.3387 9.3474 9.3992 9.4030 k = 0.0000 0.0000 0.1604 ( 5357 PWs) bands (ev): -12.3727 -12.3727 -11.7554 -11.7550 -11.7524 -11.7521 -11.7023 -11.7014 -3.7755 -3.7440 -3.6908 -3.6826 -3.5497 -3.5353 -3.4961 -3.4538 -3.3541 -3.3275 -3.2717 -3.2691 -3.2460 -3.1673 -3.0863 -3.0811 -3.0380 -3.0218 -3.0046 -2.9882 -2.6048 -2.5760 -1.3894 -1.3716 -0.6917 -0.6902 -0.6132 -0.5844 -0.3237 -0.3182 -0.1798 -0.1740 0.1720 0.1839 0.4886 0.5025 0.5303 0.5303 1.2633 1.2769 1.4187 1.4285 1.4735 1.4815 5.5832 5.5842 7.6659 7.6732 8.0184 8.0190 9.3454 9.3552 9.4181 9.4225 k = 0.0000 0.0000 0.1805 ( 5361 PWs) bands (ev): -12.3663 -12.3663 -11.7588 -11.7584 -11.7554 -11.7551 -11.7030 -11.7020 -3.7764 -3.7412 -3.6920 -3.6830 -3.5519 -3.5370 -3.4948 -3.4489 -3.3550 -3.3263 -3.2734 -3.2698 -3.2499 -3.1642 -3.0892 -3.0842 -3.0383 -3.0191 -3.0054 -2.9877 -2.5993 -2.5684 -1.4179 -1.3999 -0.7047 -0.7028 -0.6025 -0.5732 -0.3280 -0.3209 -0.1498 -0.1447 0.1820 0.1927 0.5018 0.5163 0.5410 0.5415 1.2272 1.2415 1.4077 1.4185 1.4633 1.4713 5.6298 5.6310 7.6676 7.6755 8.0640 8.0651 9.3515 9.3624 9.4397 9.4447 k = 0.0000 0.0000 0.2005 ( 5361 PWs) bands (ev): -12.3591 -12.3591 -11.7626 -11.7621 -11.7587 -11.7583 -11.7038 -11.7027 -3.7770 -3.7384 -3.6933 -3.6835 -3.5541 -3.5387 -3.4932 -3.4440 -3.3558 -3.3256 -3.2753 -3.2706 -3.2529 -3.1612 -3.0921 -3.0872 -3.0390 -3.0164 -3.0059 -2.9874 -2.5934 -2.5607 -1.4484 -1.4303 -0.7169 -0.7148 -0.5889 -0.5595 -0.3353 -0.3262 -0.1191 -0.1149 0.1935 0.2024 0.5172 0.5318 0.5527 0.5537 1.1887 1.2035 1.3952 1.4070 1.4532 1.4611 5.6797 5.6812 7.6685 7.6769 8.1134 8.1152 9.3569 9.3685 9.4640 9.4693 k = 0.0000 0.0000 0.2206 ( 5353 PWs) bands (ev): -12.3513 -12.3513 -11.7667 -11.7662 -11.7623 -11.7618 -11.7047 -11.7036 -3.7775 -3.7355 -3.6945 -3.6841 -3.5563 -3.5403 -3.4914 -3.4391 -3.3566 -3.3255 -3.2774 -3.2714 -3.2548 -3.1585 -3.0950 -3.0902 -3.0401 -3.0138 -3.0064 -2.9872 -2.5872 -2.5531 -1.4805 -1.4626 -0.7278 -0.7257 -0.5727 -0.5438 -0.3456 -0.3345 -0.0882 -0.0849 0.2068 0.2136 0.5347 0.5487 0.5654 0.5665 1.1488 1.1640 1.3808 1.3935 1.4436 1.4514 5.7325 5.7343 7.6683 7.6772 8.1660 8.1686 9.3610 9.3730 9.4908 9.4964 k = 0.0000 0.0000 0.2406 ( 5355 PWs) bands (ev): -12.3428 -12.3428 -11.7711 -11.7706 -11.7661 -11.7655 -11.7057 -11.7046 -3.7778 -3.7325 -3.6957 -3.6848 -3.5585 -3.5419 -3.4896 -3.4343 -3.3573 -3.3263 -3.2793 -3.2724 -3.2558 -3.1559 -3.0979 -3.0932 -3.0415 -3.0113 -3.0069 -2.9871 -2.5809 -2.5456 -1.5139 -1.4964 -0.7373 -0.7352 -0.5545 -0.5261 -0.3589 -0.3458 -0.0572 -0.0549 0.2223 0.2266 0.5538 0.5665 0.5789 0.5796 1.1083 1.1240 1.3643 1.3778 1.4344 1.4423 5.7876 5.7897 7.6669 7.6763 8.2211 8.2246 9.3633 9.3753 9.5198 9.5256 k = 0.0000 0.0000 0.2607 ( 5351 PWs) bands (ev): -12.3337 -12.3337 -11.7757 -11.7752 -11.7700 -11.7694 -11.7070 -11.7057 -3.7780 -3.7295 -3.6970 -3.6855 -3.5607 -3.5434 -3.4876 -3.4295 -3.3579 -3.3281 -3.2807 -3.2734 -3.2560 -3.1534 -3.1008 -3.0961 -3.0431 -3.0089 -3.0074 -2.9872 -2.5745 -2.5383 -1.5484 -1.5314 -0.7450 -0.7431 -0.5346 -0.5070 -0.3753 -0.3601 -0.0264 -0.0251 0.2400 0.2418 0.5738 0.5829 0.5929 0.5946 1.0685 1.0847 1.3457 1.3599 1.4256 1.4338 5.8444 5.8470 7.6641 7.6738 8.2779 8.2824 9.3632 9.3748 9.5508 9.5569 k = 0.0000 0.0000 0.2807 ( 5355 PWs) bands (ev): -12.3240 -12.3239 -11.7806 -11.7801 -11.7742 -11.7735 -11.7084 -11.7071 -3.7780 -3.7266 -3.6981 -3.6863 -3.5628 -3.5448 -3.4857 -3.4248 -3.3585 -3.3308 -3.2812 -3.2746 -3.2558 -3.1511 -3.1038 -3.0990 -3.0449 -3.0079 -3.0067 -2.9873 -2.5683 -2.5314 -1.5836 -1.5672 -0.7507 -0.7492 -0.5136 -0.4869 -0.3944 -0.3773 0.0040 0.0043 0.2595 0.2600 0.5923 0.5957 0.6075 0.6138 1.0306 1.0474 1.3251 1.3401 1.4172 1.4256 5.9025 5.9055 7.6595 7.6697 8.3358 8.3413 9.3602 9.3709 9.5838 9.5900 k = 0.0000 0.0000 0.3008 ( 5357 PWs) bands (ev): -12.3137 -12.3136 -11.7858 -11.7852 -11.7785 -11.7778 -11.7100 -11.7086 -3.7779 -3.7236 -3.6993 -3.6872 -3.5648 -3.5460 -3.4837 -3.4203 -3.3591 -3.3344 -3.2811 -3.2758 -3.2551 -3.1489 -3.1069 -3.1017 -3.0469 -3.0086 -3.0047 -2.9875 -2.5622 -2.5248 -1.6194 -1.6035 -0.7541 -0.7532 -0.4921 -0.4663 -0.4160 -0.3968 0.0334 0.0341 0.2796 0.2824 0.6049 0.6055 0.6264 0.6352 0.9962 1.0134 1.3028 1.3185 1.4089 1.4176 5.9612 5.9647 7.6530 7.6636 8.3939 8.4006 9.3539 9.3630 9.6185 9.6249 k = 0.0000 0.0000 0.3208 ( 5355 PWs) bands (ev): -12.3028 -12.3027 -11.7911 -11.7906 -11.7829 -11.7822 -11.7118 -11.7104 -3.7775 -3.7206 -3.7003 -3.6882 -3.5668 -3.5471 -3.4817 -3.4161 -3.3596 -3.3385 -3.2802 -3.2772 -3.2540 -3.1469 -3.1100 -3.1043 -3.0489 -3.0095 -3.0029 -2.9877 -2.5565 -2.5186 -1.6555 -1.6402 -0.7553 -0.7552 -0.4710 -0.4466 -0.4386 -0.4180 0.0620 0.0636 0.3022 0.3072 0.6106 0.6128 0.6486 0.6574 0.9668 0.9844 1.2789 1.2955 1.4006 1.4096 6.0200 6.0242 7.6443 7.6552 8.4518 8.4597 9.3441 9.3510 9.6548 9.6615 k = 0.0000 0.0000 0.3409 ( 5347 PWs) bands (ev): -12.2914 -12.2913 -11.7967 -11.7961 -11.7874 -11.7867 -11.7139 -11.7124 -3.7770 -3.7176 -3.7012 -3.6892 -3.5687 -3.5480 -3.4798 -3.4122 -3.3601 -3.3429 -3.2788 -3.2786 -3.2526 -3.1448 -3.1132 -3.1068 -3.0511 -3.0105 -3.0016 -2.9878 -2.5510 -2.5129 -1.6917 -1.6769 -0.7550 -0.7540 -0.4650 -0.4543 -0.4371 -0.4256 0.0900 0.0926 0.3272 0.3341 0.6118 0.6153 0.6720 0.6801 0.9440 0.9616 1.2538 1.2712 1.3923 1.4016 6.0785 6.0834 7.6331 7.6443 8.5087 8.5179 9.3311 9.3351 9.6927 9.6995 k = 0.0000 0.0000 0.3609 ( 5354 PWs) bands (ev): -12.2795 -12.2794 -11.8023 -11.8017 -11.7920 -11.7912 -11.7162 -11.7147 -3.7763 -3.7148 -3.7021 -3.6903 -3.5704 -3.5489 -3.4779 -3.4087 -3.3607 -3.3474 -3.2801 -3.2771 -3.2510 -3.1429 -3.1166 -3.1091 -3.0533 -3.0117 -3.0007 -2.9877 -2.5458 -2.5076 -1.7279 -1.7136 -0.7528 -0.7503 -0.4911 -0.4685 -0.4278 -0.4075 0.1174 0.1210 0.3544 0.3630 0.6084 0.6132 0.6956 0.7028 0.9288 0.9463 1.2275 1.2459 1.3839 1.3935 6.1361 6.1418 7.6191 7.6306 8.5642 8.5749 9.3153 9.3159 9.7319 9.7389 k = 0.0000 0.0000 0.3810 ( 5350 PWs) bands (ev): -12.2672 -12.2671 -11.8081 -11.8075 -11.7966 -11.7958 -11.7188 -11.7172 -3.7755 -3.7120 -3.7027 -3.6914 -3.5720 -3.5495 -3.4762 -3.4059 -3.3612 -3.3516 -3.2818 -3.2750 -3.2492 -3.1410 -3.1201 -3.1112 -3.0556 -3.0131 -3.0005 -2.9873 -2.5410 -2.5026 -1.7639 -1.7501 -0.7487 -0.7443 -0.5179 -0.4922 -0.4115 -0.3917 0.1443 0.1489 0.3835 0.3937 0.6005 0.6070 0.7191 0.7252 0.9216 0.9385 1.2004 1.2199 1.3753 1.3851 6.1923 6.1989 7.6020 7.6139 8.6180 8.6301 9.2943 9.2974 9.7724 9.7796 k = 0.0000 0.0000 0.4010 ( 5350 PWs) bands (ev): -12.2544 -12.2543 -11.8140 -11.8134 -11.8012 -11.8004 -11.7216 -11.7200 -3.7746 -3.7094 -3.7030 -3.6926 -3.5735 -3.5500 -3.4745 -3.4038 -3.3618 -3.3553 -3.2835 -3.2727 -3.2472 -3.1391 -3.1237 -3.1131 -3.0580 -3.0148 -3.0008 -2.9867 -2.5365 -2.4980 -1.7996 -1.7862 -0.7431 -0.7360 -0.5445 -0.5159 -0.3977 -0.3790 0.1706 0.1762 0.4143 0.4260 0.5896 0.5978 0.7421 0.7472 0.9213 0.9376 1.1728 1.1935 1.3665 1.3766 6.2466 6.2542 7.5818 7.5939 8.6699 8.6834 9.2715 9.2786 9.8141 9.8215 k = 0.0000 0.0000 0.4211 ( 5360 PWs) bands (ev): -12.2412 -12.2411 -11.8200 -11.8194 -11.8058 -11.8050 -11.7247 -11.7231 -3.7735 -3.7073 -3.7028 -3.6938 -3.5748 -3.5503 -3.4731 -3.4029 -3.3624 -3.3582 -3.2854 -3.2703 -3.2452 -3.1373 -3.1276 -3.1149 -3.0605 -3.0166 -3.0017 -2.9859 -2.5322 -2.4937 -1.8349 -1.8218 -0.7367 -0.7261 -0.5702 -0.5380 -0.3877 -0.3703 0.1965 0.2032 0.4466 0.4596 0.5774 0.5874 0.7646 0.7686 0.9268 0.9423 1.1450 1.1669 1.3575 1.3678 6.2986 6.3072 7.5582 7.5706 8.7199 8.7348 9.2488 9.2599 9.8568 9.8643 k = 0.0000 0.0000 0.4411 ( 5364 PWs) bands (ev): -12.2277 -12.2276 -11.8260 -11.8254 -11.8104 -11.8095 -11.7282 -11.7265 -3.7722 -3.7062 -3.7015 -3.6950 -3.5759 -3.5505 -3.4718 -3.4034 -3.3630 -3.3599 -3.2874 -3.2676 -3.2431 -3.1354 -3.1317 -3.1165 -3.0630 -3.0187 -3.0029 -2.9849 -2.5281 -2.4896 -1.8696 -1.8567 -0.7307 -0.7155 -0.5936 -0.5570 -0.3822 -0.3663 0.2221 0.2299 0.4799 0.4939 0.5658 0.5772 0.7862 0.7891 0.9364 0.9512 1.1176 1.1408 1.3484 1.3589 6.3479 6.3575 7.5312 7.5439 8.7680 8.7844 9.2273 9.2424 9.9002 9.9079 k = 0.0000 0.0000 0.4612 ( 5360 PWs) bands (ev): -12.2139 -12.2138 -11.8320 -11.8315 -11.8148 -11.8140 -11.7319 -11.7302 -3.7708 -3.7057 -3.6994 -3.6962 -3.5768 -3.5506 -3.4707 -3.4052 -3.3636 -3.3603 -3.2895 -3.2649 -3.2410 -3.1359 -3.1336 -3.1179 -3.0656 -3.0210 -3.0043 -2.9840 -2.5241 -2.4857 -1.9036 -1.8910 -0.7270 -0.7071 -0.6116 -0.5707 -0.3818 -0.3675 0.2477 0.2565 0.5137 0.5269 0.5574 0.5684 0.8068 0.8086 0.9487 0.9628 1.0911 1.1156 1.3392 1.3499 6.3940 6.4047 7.5008 7.5138 8.8145 8.8323 9.2082 9.2272 9.9441 9.9518 k = 0.0000 0.0000 0.4812 ( 5370 PWs) bands (ev): -12.1998 -12.1997 -11.8381 -11.8375 -11.8192 -11.8183 -11.7360 -11.7343 -3.7692 -3.7055 -3.6976 -3.6971 -3.5775 -3.5505 -3.4699 -3.4084 -3.3643 -3.3597 -3.2917 -3.2620 -3.2390 -3.1403 -3.1317 -3.1191 -3.0683 -3.0235 -3.0059 -2.9832 -2.5201 -2.4818 -1.9370 -1.9244 -0.7277 -0.7061 -0.6188 -0.5765 -0.3867 -0.3740 0.2734 0.2833 0.5391 0.5451 0.5639 0.5719 0.8264 0.8271 0.9628 0.9759 1.0665 1.0920 1.3298 1.3407 6.4366 6.4485 7.4671 7.4804 8.8596 8.8788 9.1925 9.2153 9.9878 9.9955 k = 0.0000 0.0000 0.5013 ( 5362 PWs) bands (ev): -12.1855 -12.1854 -11.8441 -11.8436 -11.8234 -11.8225 -11.7404 -11.7386 -3.7675 -3.7051 -3.6989 -3.6947 -3.5778 -3.5502 -3.4694 -3.4125 -3.3648 -3.3581 -3.2940 -3.2591 -3.2370 -3.1449 -3.1299 -3.1201 -3.0711 -3.0261 -3.0076 -2.9824 -2.5161 -2.4778 -1.9695 -1.9570 -0.7342 -0.7157 -0.6117 -0.5731 -0.3969 -0.3857 0.2995 0.3105 0.5328 0.5504 0.5866 0.6061 0.8443 0.8448 0.9774 0.9885 1.0459 1.0711 1.3205 1.3314 6.4754 6.4885 7.4305 7.4440 8.9038 8.9242 9.1810 9.2076 10.0310 10.0381 k = 0.0000 0.0000 0.5213 ( 5366 PWs) bands (ev): -12.1711 -12.1709 -11.8502 -11.8496 -11.8274 -11.8265 -11.7451 -11.7433 -3.7658 -3.7047 -3.7003 -3.6924 -3.5778 -3.5498 -3.4692 -3.4174 -3.3654 -3.3560 -3.2964 -3.2562 -3.2353 -3.1496 -3.1280 -3.1207 -3.0739 -3.0289 -3.0092 -2.9818 -2.5119 -2.4737 -2.0013 -1.9886 -0.7456 -0.7321 -0.5941 -0.5613 -0.4118 -0.4024 0.3260 0.3380 0.5249 0.5446 0.6201 0.6419 0.8602 0.8619 0.9912 0.9955 1.0345 1.0543 1.3112 1.3221 6.5103 6.5245 7.3911 7.4049 8.9474 8.9691 9.1746 9.2046 10.0726 10.0785 k = 0.0000 0.0000 0.5414 ( 5372 PWs) bands (ev): -12.1565 -12.1563 -11.8562 -11.8557 -11.8312 -11.8303 -11.7501 -11.7484 -3.7639 -3.7040 -3.7017 -3.6902 -3.5776 -3.5493 -3.4695 -3.4229 -3.3658 -3.3535 -3.2989 -3.2535 -3.2337 -3.1543 -3.1264 -3.1209 -3.0769 -3.0318 -3.0108 -2.9814 -2.5074 -2.4694 -2.0321 -2.0192 -0.7600 -0.7508 -0.5704 -0.5428 -0.4310 -0.4232 0.3530 0.3660 0.5158 0.5368 0.6536 0.6775 0.8749 0.8778 0.9909 1.0013 1.0391 1.0451 1.3020 1.3129 6.5412 6.5564 7.3493 7.3634 8.9908 9.0136 9.1736 9.2069 10.1120 10.1136 k = 0.0000 0.0000 0.5614 ( 5372 PWs) bands (ev): -12.1418 -12.1416 -11.8622 -11.8617 -11.8347 -11.8338 -11.7555 -11.7537 -3.7619 -3.7032 -3.7031 -3.6881 -3.5769 -3.5486 -3.4701 -3.4287 -3.3660 -3.3507 -3.3015 -3.2509 -3.2322 -3.1589 -3.1253 -3.1204 -3.0798 -3.0348 -3.0121 -2.9812 -2.5027 -2.4649 -2.0620 -2.0488 -0.7755 -0.7695 -0.5428 -0.5197 -0.4532 -0.4475 0.3805 0.3944 0.5044 0.5263 0.6858 0.7121 0.8884 0.8926 0.9826 1.0041 1.0474 1.0521 1.2930 1.3039 6.5680 6.5843 7.3056 7.3201 9.0341 9.0581 9.1786 9.2149 10.1351 10.1479 k = 0.0000 0.0000 0.5815 ( 5376 PWs) bands (ev): -12.1271 -12.1268 -11.8681 -11.8676 -11.8380 -11.8370 -11.7611 -11.7594 -3.7598 -3.7047 -3.7022 -3.6862 -3.5759 -3.5478 -3.4713 -3.4349 -3.3661 -3.3477 -3.3043 -3.2490 -3.2308 -3.1634 -3.1248 -3.1190 -3.0829 -3.0378 -3.0133 -2.9812 -2.4975 -2.4600 -2.0908 -2.0773 -0.7908 -0.7871 -0.5124 -0.4972 -0.4744 -0.4740 0.4083 0.4230 0.4899 0.5121 0.7160 0.7449 0.9011 0.9064 0.9773 1.0026 1.0583 1.0673 1.2844 1.2950 6.5910 6.6082 7.2606 7.2753 9.0778 9.1028 9.1898 9.2289 10.1391 10.1749 k = 0.0000 0.0000 0.6015 ( 5382 PWs) bands (ev): -12.1124 -12.1121 -11.8740 -11.8736 -11.8410 -11.8400 -11.7671 -11.7653 -3.7576 -3.7062 -3.7010 -3.6845 -3.5745 -3.5468 -3.4729 -3.4413 -3.3660 -3.3445 -3.3071 -3.2478 -3.2293 -3.1677 -3.1247 -3.1170 -3.0859 -3.0409 -3.0142 -2.9814 -2.4918 -2.4547 -2.1187 -2.1047 -0.8053 -0.8031 -0.5107 -0.5033 -0.4795 -0.4577 0.4356 0.4503 0.4728 0.4941 0.7433 0.7750 0.9133 0.9199 0.9765 1.0024 1.0721 1.0828 1.2761 1.2865 6.6105 6.6285 7.2146 7.2297 9.1219 9.1479 9.2072 9.2489 10.1335 10.1707 k = 0.0000 0.0000 0.6216 ( 5390 PWs) bands (ev): -12.0977 -12.0975 -11.8799 -11.8795 -11.8436 -11.8426 -11.7733 -11.7715 -3.7554 -3.7078 -3.6997 -3.6829 -3.5727 -3.5456 -3.4750 -3.4479 -3.3657 -3.3412 -3.3101 -3.2477 -3.2275 -3.1716 -3.1246 -3.1147 -3.0889 -3.0440 -3.0148 -2.9819 -2.4856 -2.4490 -2.1455 -2.1309 -0.8183 -0.8173 -0.5386 -0.5333 -0.4446 -0.4258 0.4461 0.4564 0.4781 0.4831 0.7669 0.8011 0.9260 0.9336 0.9799 1.0054 1.0866 1.0981 1.2683 1.2784 6.6267 6.6454 7.1682 7.1836 9.1666 9.1934 9.2308 9.2747 10.1216 10.1605 k = 0.0000 0.0000 0.6416 ( 5378 PWs) bands (ev): -12.0832 -12.0829 -11.8858 -11.8854 -11.8458 -11.8448 -11.7797 -11.7779 -3.7530 -3.7095 -3.6982 -3.6815 -3.5704 -3.5442 -3.4775 -3.4546 -3.3650 -3.3378 -3.3131 -3.2487 -3.2252 -3.1750 -3.1244 -3.1121 -3.0918 -3.0471 -3.0150 -2.9826 -2.4789 -2.4427 -2.1713 -2.1560 -0.8295 -0.8293 -0.5680 -0.5639 -0.4079 -0.3909 0.4198 0.4381 0.4965 0.5111 0.7860 0.8218 0.9400 0.9482 0.9868 1.0114 1.1009 1.1129 1.2610 1.2706 6.6403 6.6596 7.1220 7.1378 9.2119 9.2395 9.2603 9.3061 10.1045 10.1452 k = 0.0000 0.0000 0.6617 ( 5374 PWs) bands (ev): -12.0689 -12.0686 -11.8918 -11.8914 -11.8476 -11.8466 -11.7862 -11.7845 -3.7507 -3.7112 -3.6966 -3.6804 -3.5677 -3.5426 -3.4805 -3.4615 -3.3641 -3.3342 -3.3162 -3.2510 -3.2226 -3.1781 -3.1242 -3.1095 -3.0946 -3.0503 -3.0149 -2.9836 -2.4714 -2.4359 -2.1960 -2.1799 -0.8390 -0.8387 -0.5977 -0.5945 -0.3697 -0.3540 0.3892 0.4071 0.5235 0.5395 0.8000 0.8360 0.9563 0.9640 0.9962 1.0200 1.1148 1.1271 1.2543 1.2633 6.6519 6.6715 7.0765 7.0927 9.2579 9.2860 9.2955 9.3428 10.0826 10.1249 k = 0.0000 0.0000 0.6817 ( 5370 PWs) bands (ev): -12.0548 -12.0545 -11.8978 -11.8975 -11.8490 -11.8479 -11.7929 -11.7912 -3.7483 -3.7129 -3.6948 -3.6794 -3.5646 -3.5408 -3.4838 -3.4685 -3.3629 -3.3305 -3.3193 -3.2542 -3.2198 -3.1807 -3.1238 -3.1070 -3.0971 -3.0535 -3.0144 -2.9848 -2.4634 -2.4285 -2.2196 -2.2026 -0.8463 -0.8456 -0.6270 -0.6247 -0.3300 -0.3154 0.3551 0.3721 0.5507 0.5676 0.8087 0.8436 0.9745 0.9805 1.0071 1.0302 1.1280 1.1404 1.2483 1.2565 6.6619 6.6819 7.0322 7.0487 9.3044 9.3323 9.3364 9.3842 10.0566 10.1000 k = 0.0000 0.0000 0.7018 ( 5366 PWs) bands (ev): -12.0410 -12.0407 -11.9040 -11.9037 -11.8498 -11.8488 -11.7996 -11.7979 -3.7459 -3.7148 -3.6930 -3.6787 -3.5609 -3.5387 -3.4876 -3.4756 -3.3614 -3.3266 -3.3225 -3.2583 -3.2168 -3.1830 -3.1234 -3.1050 -3.0989 -3.0567 -3.0136 -2.9863 -2.4546 -2.4206 -2.2422 -2.2242 -0.8511 -0.8501 -0.6557 -0.6539 -0.2890 -0.2753 0.3183 0.3343 0.5776 0.5951 0.8125 0.8455 0.9937 0.9972 1.0188 1.0412 1.1406 1.1529 1.2427 1.2500 6.6712 6.6914 6.9896 7.0064 9.3513 9.3782 9.3822 9.4297 10.0272 10.0713 k = 0.0000 0.0000 0.7218 ( 5374 PWs) bands (ev): -12.0275 -12.0273 -11.9104 -11.9101 -11.8502 -11.8491 -11.8063 -11.8046 -3.7435 -3.7167 -3.6911 -3.6783 -3.5569 -3.5365 -3.4916 -3.4827 -3.3596 -3.3257 -3.3226 -3.2629 -3.2138 -3.1851 -3.1228 -3.1050 -3.0983 -3.0599 -3.0125 -2.9880 -2.4451 -2.4120 -2.2637 -2.2446 -0.8533 -0.8522 -0.6832 -0.6820 -0.2471 -0.2340 0.2792 0.2942 0.6039 0.6219 0.8118 0.8426 1.0127 1.0134 1.0305 1.0521 1.1524 1.1644 1.2377 1.2438 6.6803 6.7006 6.9490 6.9662 9.3984 9.4258 9.4299 9.4783 9.9952 10.0395 k = 0.0000 0.0000 0.7419 ( 5382 PWs) bands (ev): -12.0145 -12.0143 -11.9171 -11.9168 -11.8500 -11.8488 -11.8128 -11.8111 -3.7411 -3.7187 -3.6893 -3.6782 -3.5525 -3.5339 -3.4958 -3.4899 -3.3576 -3.3290 -3.3185 -3.2680 -3.2109 -3.1871 -3.1221 -3.1068 -3.0959 -3.0632 -3.0111 -2.9898 -2.4348 -2.4027 -2.2841 -2.2640 -0.8529 -0.8517 -0.7092 -0.7085 -0.2041 -0.1916 0.2383 0.2524 0.6295 0.6480 0.8072 0.8358 1.0282 1.0304 1.0415 1.0622 1.1633 1.1748 1.2332 1.2379 6.6900 6.7102 6.9109 6.9285 9.4456 9.4739 9.4792 9.5287 9.9618 10.0057 k = 0.0000 0.0000 0.7619 ( 5374 PWs) bands (ev): -12.0020 -12.0018 -11.9241 -11.9239 -11.8491 -11.8480 -11.8190 -11.8174 -3.7387 -3.7207 -3.6875 -3.6783 -3.5475 -3.5311 -3.5001 -3.4970 -3.3554 -3.3322 -3.3141 -3.2733 -3.2079 -3.1890 -3.1212 -3.1088 -3.0930 -3.0665 -3.0095 -2.9918 -2.4237 -2.3926 -2.3035 -2.2822 -0.8499 -0.8486 -0.7336 -0.7333 -0.1604 -0.1484 0.1960 0.2093 0.6541 0.6732 0.7991 0.8259 1.0411 1.0461 1.0513 1.0709 1.1735 1.1842 1.2289 1.2320 6.7007 6.7209 6.8755 6.8934 9.4922 9.5204 9.5300 9.5789 9.9292 9.9714 k = 0.0000 0.0000 0.7820 ( 5394 PWs) bands (ev): -11.9900 -11.9899 -11.9317 -11.9315 -11.8477 -11.8465 -11.8248 -11.8233 -3.7363 -3.7228 -3.6858 -3.6787 -3.5423 -3.5280 -3.5045 -3.5041 -3.3530 -3.3354 -3.3095 -3.2787 -3.2051 -3.1910 -3.1202 -3.1109 -3.0898 -3.0698 -3.0076 -2.9940 -2.4119 -2.3819 -2.3219 -2.2993 -0.8441 -0.8430 -0.7561 -0.7561 -0.1162 -0.1044 0.1526 0.1653 0.6777 0.6974 0.7880 0.8132 1.0518 1.0592 1.0593 1.0775 1.1829 1.1924 1.2247 1.2261 6.7132 6.7331 6.8431 6.8614 9.5379 9.5646 9.5795 9.6248 9.9010 9.9389 k = 0.0000 0.0000 0.8020 ( 5398 PWs) bands (ev): -11.9786 -11.9785 -11.9398 -11.9397 -11.8456 -11.8443 -11.8302 -11.8287 -3.7340 -3.7249 -3.6841 -3.6793 -3.5366 -3.5247 -3.5110 -3.5089 -3.3504 -3.3386 -3.3048 -3.2841 -3.2024 -3.1931 -3.1190 -3.1128 -3.0866 -3.0732 -3.0055 -2.9963 -2.3991 -2.3703 -2.3392 -2.3154 -0.8358 -0.8347 -0.7768 -0.7765 -0.0714 -0.0598 0.1084 0.1207 0.7001 0.7204 0.7744 0.7983 1.0599 1.0648 1.0698 1.0817 1.1915 1.1997 1.2200 1.2206 6.7277 6.7475 6.8138 6.8324 9.5815 9.6048 9.6227 9.6585 9.8851 9.9128 k = 0.0000 0.0000 0.8221 ( 5402 PWs) bands (ev): -11.9679 -11.9678 -11.9484 -11.9484 -11.8427 -11.8414 -11.8350 -11.8336 -3.7317 -3.7271 -3.6826 -3.6802 -3.5306 -3.5211 -3.5178 -3.5131 -3.3476 -3.3417 -3.2999 -3.2895 -3.1999 -3.1952 -3.1177 -3.1146 -3.0833 -3.0765 -3.0033 -2.9987 -2.3855 -2.3580 -2.3556 -2.3305 -0.8248 -0.8238 -0.7953 -0.7947 -0.0264 -0.0148 0.0637 0.0756 0.7212 0.7422 0.7585 0.7813 1.0653 1.0678 1.0773 1.0832 1.1995 1.2059 1.2136 1.2162 6.7448 6.7643 6.7877 6.8066 9.6211 9.6375 9.6511 9.6685 9.8923 9.9011 k = 0.0000 0.0000 0.8421 ( 5396 PWs) bands (ev): -11.9578 -11.9578 -11.9578 -11.9578 -11.8392 -11.8392 -11.8379 -11.8379 -3.7293 -3.7293 -3.6813 -3.6813 -3.5243 -3.5243 -3.5172 -3.5172 -3.3447 -3.3447 -3.2948 -3.2948 -3.1974 -3.1974 -3.1162 -3.1162 -3.0799 -3.0799 -3.0010 -3.0010 -2.3710 -2.3710 -2.3447 -2.3447 -0.8113 -0.8113 -0.8105 -0.8105 0.0187 0.0187 0.0304 0.0304 0.7407 0.7407 0.7625 0.7625 1.0680 1.0680 1.0818 1.0818 1.2068 1.2068 1.2114 1.2114 6.7647 6.7647 6.7840 6.7840 9.6529 9.6529 9.6559 9.6559 9.9124 9.9124 k = 0.0000 0.0000 0.8421 ( 5396 PWs) bands (ev): -11.9578 -11.9578 -11.9578 -11.9578 -11.8392 -11.8392 -11.8379 -11.8379 -3.7293 -3.7293 -3.6813 -3.6813 -3.5243 -3.5243 -3.5172 -3.5172 -3.3447 -3.3447 -3.2948 -3.2948 -3.1974 -3.1974 -3.1162 -3.1162 -3.0799 -3.0799 -3.0010 -3.0010 -2.3710 -2.3710 -2.3447 -2.3447 -0.8113 -0.8113 -0.8105 -0.8105 0.0187 0.0187 0.0304 0.0304 0.7407 0.7407 0.7625 0.7625 1.0680 1.0680 1.0818 1.0818 1.2068 1.2068 1.2114 1.2114 6.7647 6.7647 6.7840 6.7840 9.6529 9.6529 9.6559 9.6559 9.9124 9.9124 k =-0.0113 0.0154 0.8421 ( 5392 PWs) bands (ev): -11.9578 -11.9578 -11.9578 -11.9578 -11.8392 -11.8392 -11.8379 -11.8379 -3.7293 -3.7293 -3.6813 -3.6813 -3.5254 -3.5254 -3.5162 -3.5162 -3.3450 -3.3450 -3.2948 -3.2948 -3.1977 -3.1977 -3.1163 -3.1163 -3.0800 -3.0800 -3.0012 -3.0012 -2.3697 -2.3697 -2.3434 -2.3434 -0.8110 -0.8110 -0.8097 -0.8097 0.0187 0.0187 0.0305 0.0305 0.7397 0.7397 0.7615 0.7615 1.0675 1.0675 1.0816 1.0816 1.2062 1.2062 1.2110 1.2110 6.7658 6.7658 6.7850 6.7850 9.6541 9.6541 9.6576 9.6576 9.9074 9.9074 k =-0.0227 0.0307 0.8421 ( 5386 PWs) bands (ev): -11.9579 -11.9579 -11.9578 -11.9577 -11.8393 -11.8393 -11.8379 -11.8379 -3.7293 -3.7293 -3.6813 -3.6813 -3.5279 -3.5279 -3.5142 -3.5142 -3.3458 -3.3458 -3.2948 -3.2948 -3.1985 -3.1985 -3.1164 -3.1164 -3.0803 -3.0803 -3.0020 -3.0020 -2.3656 -2.3656 -2.3393 -2.3393 -0.8098 -0.8098 -0.8077 -0.8077 0.0188 0.0188 0.0307 0.0307 0.7366 0.7366 0.7583 0.7583 1.0661 1.0661 1.0811 1.0811 1.2044 1.2044 1.2099 1.2099 6.7689 6.7689 6.7882 6.7882 9.6577 9.6577 9.6628 9.6628 9.8929 9.8929 k =-0.0340 0.0461 0.8421 ( 5386 PWs) bands (ev): -11.9580 -11.9580 -11.9578 -11.9578 -11.8394 -11.8394 -11.8380 -11.8380 -3.7293 -3.7293 -3.6813 -3.6813 -3.5309 -3.5309 -3.5121 -3.5121 -3.3472 -3.3472 -3.2950 -3.2950 -3.1998 -3.1998 -3.1167 -3.1167 -3.0807 -3.0807 -3.0033 -3.0033 -2.3589 -2.3589 -2.3327 -2.3327 -0.8077 -0.8077 -0.8047 -0.8047 0.0189 0.0189 0.0311 0.0311 0.7314 0.7314 0.7530 0.7530 1.0639 1.0639 1.0802 1.0802 1.2015 1.2015 1.2079 1.2079 6.7741 6.7741 6.7933 6.7933 9.6634 9.6634 9.6711 9.6711 9.8694 9.8694 k =-0.0454 0.0615 0.8421 ( 5384 PWs) bands (ev): -11.9581 -11.9581 -11.9578 -11.9578 -11.8395 -11.8395 -11.8381 -11.8381 -3.7293 -3.7293 -3.6813 -3.6813 -3.5343 -3.5343 -3.5100 -3.5100 -3.3490 -3.3490 -3.2952 -3.2952 -3.2015 -3.2015 -3.1171 -3.1171 -3.0813 -3.0813 -3.0049 -3.0049 -2.3497 -2.3497 -2.3235 -2.3235 -0.8045 -0.8045 -0.8006 -0.8006 0.0191 0.0191 0.0316 0.0316 0.7242 0.7242 0.7457 0.7457 1.0608 1.0608 1.0789 1.0789 1.1976 1.1976 1.2052 1.2052 6.7812 6.7812 6.8004 6.8004 9.6701 9.6701 9.6821 9.6821 9.8379 9.8379 k =-0.0567 0.0769 0.8421 ( 5380 PWs) bands (ev): -11.9584 -11.9584 -11.9580 -11.9580 -11.8395 -11.8395 -11.8381 -11.8381 -3.7293 -3.7293 -3.6813 -3.6813 -3.5378 -3.5378 -3.5081 -3.5081 -3.3513 -3.3513 -3.2956 -3.2956 -3.2037 -3.2037 -3.1176 -3.1176 -3.0820 -3.0820 -3.0069 -3.0069 -2.3381 -2.3381 -2.3120 -2.3120 -0.8004 -0.8004 -0.7954 -0.7954 0.0194 0.0194 0.0323 0.0323 0.7151 0.7151 0.7364 0.7364 1.0570 1.0570 1.0771 1.0771 1.1928 1.1928 1.2018 1.2018 6.7902 6.7902 6.8093 6.8093 9.6752 9.6752 9.6948 9.6948 9.8001 9.8001 k =-0.0681 0.0922 0.8421 ( 5374 PWs) bands (ev): -11.9587 -11.9587 -11.9582 -11.9582 -11.8395 -11.8395 -11.8381 -11.8381 -3.7293 -3.7293 -3.6813 -3.6813 -3.5415 -3.5415 -3.5063 -3.5063 -3.3540 -3.3540 -3.2960 -3.2960 -3.2062 -3.2062 -3.1185 -3.1185 -3.0826 -3.0826 -3.0092 -3.0092 -2.3243 -2.3243 -2.2982 -2.2982 -0.7951 -0.7951 -0.7891 -0.7891 0.0197 0.0197 0.0331 0.0331 0.7041 0.7041 0.7251 0.7251 1.0524 1.0524 1.0747 1.0747 1.1873 1.1873 1.1977 1.1977 6.8009 6.8009 6.8199 6.8199 9.6726 9.6726 9.7054 9.7054 9.7603 9.7603 k =-0.0794 0.1076 0.8421 ( 5370 PWs) bands (ev): -11.9591 -11.9591 -11.9586 -11.9586 -11.8395 -11.8395 -11.8380 -11.8380 -3.7293 -3.7293 -3.6814 -3.6814 -3.5453 -3.5453 -3.5048 -3.5048 -3.3570 -3.3570 -3.2965 -3.2965 -3.2091 -3.2091 -3.1196 -3.1196 -3.0833 -3.0833 -3.0116 -3.0116 -2.3084 -2.3084 -2.2824 -2.2824 -0.7889 -0.7889 -0.7818 -0.7818 0.0200 0.0200 0.0340 0.0340 0.6913 0.6913 0.7121 0.7121 1.0471 1.0471 1.0718 1.0718 1.1812 1.1812 1.1931 1.1931 6.8130 6.8130 6.8320 6.8320 9.6519 9.6519 9.6877 9.6877 9.7450 9.7450 k =-0.0907 0.1230 0.8421 ( 5370 PWs) bands (ev): -11.9597 -11.9597 -11.9591 -11.9591 -11.8393 -11.8393 -11.8378 -11.8378 -3.7293 -3.7293 -3.6814 -3.6814 -3.5493 -3.5493 -3.5034 -3.5034 -3.3602 -3.3602 -3.2972 -3.2972 -3.2122 -3.2122 -3.1210 -3.1210 -3.0838 -3.0838 -3.0141 -3.0141 -2.2908 -2.2908 -2.2648 -2.2648 -0.7815 -0.7815 -0.7734 -0.7734 0.0205 0.0205 0.0351 0.0351 0.6768 0.6768 0.6973 0.6973 1.0411 1.0411 1.0683 1.0683 1.1746 1.1746 1.1881 1.1881 6.8264 6.8264 6.8453 6.8453 9.6108 9.6108 9.6373 9.6373 9.7586 9.7586 k =-0.1021 0.1383 0.8421 ( 5364 PWs) bands (ev): -11.9605 -11.9605 -11.9599 -11.9599 -11.8389 -11.8389 -11.8374 -11.8374 -3.7293 -3.7293 -3.6814 -3.6814 -3.5533 -3.5533 -3.5023 -3.5023 -3.3636 -3.3636 -3.2980 -3.2980 -3.2155 -3.2155 -3.1227 -3.1227 -3.0843 -3.0843 -3.0166 -3.0166 -2.2716 -2.2716 -2.2456 -2.2456 -0.7732 -0.7732 -0.7639 -0.7639 0.0209 0.0209 0.0363 0.0363 0.6607 0.6607 0.6810 0.6810 1.0345 1.0345 1.0641 1.0641 1.1676 1.1676 1.1827 1.1827 6.8409 6.8409 6.8597 6.8597 9.5567 9.5567 9.5780 9.5780 9.7772 9.7772 k =-0.1134 0.1537 0.8421 ( 5370 PWs) bands (ev): -11.9616 -11.9616 -11.9609 -11.9609 -11.8384 -11.8384 -11.8368 -11.8368 -3.7294 -3.7294 -3.6815 -3.6815 -3.5574 -3.5574 -3.5015 -3.5015 -3.3671 -3.3671 -3.2989 -3.2989 -3.2190 -3.2190 -3.1249 -3.1249 -3.0845 -3.0845 -3.0190 -3.0190 -2.2510 -2.2510 -2.2250 -2.2250 -0.7638 -0.7638 -0.7533 -0.7533 0.0214 0.0214 0.0376 0.0376 0.6433 0.6433 0.6632 0.6632 1.0272 1.0272 1.0593 1.0593 1.1605 1.1605 1.1771 1.1771 6.8563 6.8563 6.8749 6.8749 9.4952 9.4952 9.5139 9.5139 9.7965 9.7965 k =-0.1248 0.1691 0.8421 ( 5372 PWs) bands (ev): -11.9629 -11.9629 -11.9621 -11.9621 -11.8375 -11.8375 -11.8360 -11.8360 -3.7294 -3.7294 -3.6816 -3.6816 -3.5616 -3.5616 -3.5009 -3.5009 -3.3706 -3.3706 -3.2999 -3.2999 -3.2226 -3.2226 -3.1275 -3.1275 -3.0846 -3.0846 -3.0213 -3.0213 -2.2294 -2.2294 -2.2033 -2.2033 -0.7533 -0.7533 -0.7417 -0.7417 0.0220 0.0220 0.0391 0.0391 0.6247 0.6247 0.6443 0.6443 1.0194 1.0194 1.0537 1.0537 1.1533 1.1533 1.1714 1.1714 6.8722 6.8722 6.8907 6.8907 9.4290 9.4290 9.4463 9.4463 9.8148 9.8148 k =-0.1361 0.1845 0.8421 ( 5376 PWs) bands (ev): -11.9645 -11.9645 -11.9637 -11.9637 -11.8365 -11.8365 -11.8348 -11.8348 -3.7295 -3.7295 -3.6817 -3.6817 -3.5659 -3.5659 -3.5007 -3.5007 -3.3741 -3.3741 -3.3010 -3.3010 -3.2263 -3.2263 -3.1304 -3.1304 -3.0845 -3.0845 -3.0234 -3.0234 -2.2068 -2.2068 -2.1807 -2.1807 -0.7417 -0.7417 -0.7289 -0.7289 0.0227 0.0227 0.0406 0.0406 0.6051 0.6051 0.6244 0.6244 1.0110 1.0110 1.0474 1.0474 1.1462 1.1462 1.1655 1.1655 6.8885 6.8885 6.9068 6.9068 9.3597 9.3597 9.3760 9.3760 9.8311 9.8311 k =-0.1361 0.1845 0.8421 ( 5376 PWs) bands (ev): -11.9645 -11.9645 -11.9637 -11.9637 -11.8365 -11.8365 -11.8348 -11.8348 -3.7295 -3.7295 -3.6817 -3.6817 -3.5659 -3.5659 -3.5007 -3.5007 -3.3741 -3.3741 -3.3010 -3.3010 -3.2263 -3.2263 -3.1304 -3.1304 -3.0845 -3.0845 -3.0234 -3.0234 -2.2068 -2.2068 -2.1807 -2.1807 -0.7417 -0.7417 -0.7289 -0.7289 0.0227 0.0227 0.0406 0.0406 0.6051 0.6051 0.6244 0.6244 1.0110 1.0110 1.0474 1.0474 1.1462 1.1462 1.1655 1.1655 6.8885 6.8885 6.9068 6.9068 9.3597 9.3597 9.3760 9.3760 9.8311 9.8311 k =-0.1444 0.1957 0.8282 ( 5378 PWs) bands (ev): -11.9700 -11.9694 -11.9617 -11.9610 -11.8397 -11.8382 -11.8309 -11.8294 -3.7308 -3.7284 -3.6829 -3.6806 -3.5719 -3.5659 -3.5037 -3.4975 -3.3782 -3.3747 -3.3052 -3.2984 -3.2303 -3.2278 -3.1337 -3.1317 -3.0860 -3.0826 -3.0260 -3.0237 -2.1989 -2.1856 -2.1678 -2.1547 -0.7377 -0.7299 -0.7206 -0.7129 -0.0016 0.0103 0.0547 0.0664 0.5774 0.5957 0.6030 0.6221 1.0012 1.0043 1.0419 1.0430 1.1370 1.1397 1.1635 1.1649 6.8869 6.9051 6.9157 6.9335 9.2830 9.3015 9.3302 9.3420 9.8330 9.8389 k =-0.1526 0.2069 0.8143 ( 5377 PWs) bands (ev): -11.9756 -11.9749 -11.9598 -11.9591 -11.8428 -11.8414 -11.8249 -11.8234 -3.7320 -3.7274 -3.6842 -3.6796 -3.5776 -3.5660 -3.5068 -3.4946 -3.3820 -3.3752 -3.3093 -3.2957 -3.2342 -3.2294 -3.1373 -3.1331 -3.0873 -3.0808 -3.0283 -3.0239 -2.1914 -2.1739 -2.1442 -2.1269 -0.7319 -0.7215 -0.7059 -0.6957 -0.0267 -0.0143 0.0808 0.0926 0.5495 0.5672 0.5992 0.6186 0.9875 0.9932 1.0367 1.0387 1.1248 1.1295 1.1655 1.1678 6.8868 6.9050 6.9440 6.9615 9.2058 9.2260 9.2957 9.3049 9.8368 9.8405 k =-0.1609 0.2181 0.8004 ( 5381 PWs) bands (ev): -11.9810 -11.9804 -11.9585 -11.9578 -11.8458 -11.8445 -11.8185 -11.8169 -3.7332 -3.7266 -3.6857 -3.6786 -3.5830 -3.5661 -3.5098 -3.4920 -3.3855 -3.3755 -3.3133 -3.2931 -3.2380 -3.2311 -3.1410 -3.1344 -3.0884 -3.0790 -3.0304 -3.0239 -2.1839 -2.1656 -2.1166 -2.0983 -0.7241 -0.7122 -0.6895 -0.6778 -0.0506 -0.0380 0.1056 0.1171 0.5220 0.5387 0.5941 0.6137 0.9703 0.9779 1.0313 1.0344 1.1117 1.1185 1.1693 1.1721 6.8881 6.9063 6.9735 6.9907 9.1293 9.1503 9.2578 9.2658 9.8411 9.8457 k =-0.1692 0.2293 0.7864 ( 5381 PWs) bands (ev): -11.9862 -11.9856 -11.9578 -11.9571 -11.8487 -11.8474 -11.8118 -11.8101 -3.7343 -3.7259 -3.6872 -3.6776 -3.5882 -3.5662 -3.5129 -3.4897 -3.3887 -3.3756 -3.3172 -3.2903 -3.2417 -3.2330 -3.1449 -3.1358 -3.0893 -3.0773 -3.0322 -3.0239 -2.1762 -2.1577 -2.0878 -2.0691 -0.7142 -0.7009 -0.6727 -0.6596 -0.0731 -0.0602 0.1284 0.1391 0.4954 0.5109 0.5877 0.6075 0.9504 0.9593 1.0245 1.0295 1.0991 1.1081 1.1739 1.1770 6.8906 6.9087 7.0042 7.0209 9.0542 9.0755 9.2177 9.2256 9.8458 9.8524 k =-0.1775 0.2405 0.7725 ( 5379 PWs) bands (ev): -11.9914 -11.9908 -11.9576 -11.9568 -11.8515 -11.8502 -11.8048 -11.8031 -3.7354 -3.7253 -3.6887 -3.6766 -3.5931 -3.5664 -3.5159 -3.4878 -3.3916 -3.3754 -3.3209 -3.2875 -3.2452 -3.2349 -3.1489 -3.1372 -3.0900 -3.0757 -3.0337 -3.0238 -2.1683 -2.1500 -2.0585 -2.0396 -0.7024 -0.6875 -0.6559 -0.6412 -0.0939 -0.0805 0.1483 0.1578 0.4706 0.4844 0.5798 0.5998 0.9283 0.9384 1.0155 1.0228 1.0882 1.0994 1.1788 1.1820 6.8941 6.9120 7.0358 7.0521 8.9811 9.0024 9.1765 9.1850 9.8510 9.8592 k =-0.1857 0.2517 0.7586 ( 5379 PWs) bands (ev): -11.9963 -11.9957 -11.9577 -11.9569 -11.8541 -11.8529 -11.7978 -11.7961 -3.7365 -3.7249 -3.6903 -3.6757 -3.5977 -3.5665 -3.5188 -3.4862 -3.3941 -3.3749 -3.3244 -3.2847 -3.2486 -3.2370 -3.1530 -3.1386 -3.0906 -3.0742 -3.0350 -3.0236 -2.1604 -2.1423 -2.0290 -2.0099 -0.6889 -0.6722 -0.6393 -0.6228 -0.1125 -0.0988 0.1645 0.1722 0.4488 0.4601 0.5703 0.5906 0.9046 0.9159 1.0041 1.0136 1.0799 1.0928 1.1838 1.1871 6.8985 6.9163 7.0682 7.0840 8.9104 8.9313 9.1352 9.1445 9.8560 9.8654 k =-0.1940 0.2629 0.7446 ( 5381 PWs) bands (ev): -12.0010 -12.0005 -11.9581 -11.9573 -11.8566 -11.8555 -11.7909 -11.7892 -3.7375 -3.7247 -3.6919 -3.6747 -3.6019 -3.5667 -3.5217 -3.4849 -3.3963 -3.3742 -3.3277 -3.2819 -3.2518 -3.2391 -3.1571 -3.1399 -3.0911 -3.0729 -3.0360 -3.0234 -2.1526 -2.1347 -1.9996 -1.9803 -0.6741 -0.6553 -0.6232 -0.6043 -0.1288 -0.1145 0.1759 0.1810 0.4310 0.4393 0.5592 0.5798 0.8796 0.8922 0.9906 1.0018 1.0743 1.0882 1.1889 1.1920 6.9036 6.9211 7.1011 7.1165 8.8424 8.8628 9.0944 9.1044 9.8603 9.8706 k =-0.2023 0.2741 0.7307 ( 5380 PWs) bands (ev): -12.0055 -12.0050 -11.9587 -11.9579 -11.8590 -11.8579 -11.7841 -11.7823 -3.7384 -3.7245 -3.6935 -3.6738 -3.6059 -3.5670 -3.5245 -3.4840 -3.3983 -3.3733 -3.3308 -3.2791 -3.2546 -3.2412 -3.1612 -3.1412 -3.0915 -3.0718 -3.0367 -3.0231 -2.1447 -2.1273 -1.9704 -1.9508 -0.6585 -0.6373 -0.6074 -0.5858 -0.1424 -0.1275 0.1803 0.1837 0.4179 0.4235 0.5464 0.5675 0.8539 0.8679 0.9757 0.9883 1.0708 1.0852 1.1938 1.1968 6.9091 6.9264 7.1343 7.1492 8.7775 8.7973 9.0547 9.0653 9.8638 9.8746 k =-0.2105 0.2853 0.7168 ( 5382 PWs) bands (ev): -12.0098 -12.0093 -11.9595 -11.9586 -11.8612 -11.8602 -11.7775 -11.7757 -3.7393 -3.7246 -3.6950 -3.6729 -3.6096 -3.5672 -3.5273 -3.4834 -3.4000 -3.3721 -3.3337 -3.2764 -3.2572 -3.2433 -3.1654 -3.1426 -3.0917 -3.0707 -3.0372 -3.0229 -2.1371 -2.1201 -1.9416 -1.9219 -0.6430 -0.6195 -0.5912 -0.5670 -0.1529 -0.1373 0.1755 0.1815 0.4082 0.4152 0.5319 0.5536 0.8279 0.8435 0.9601 0.9740 1.0688 1.0834 1.1985 1.2014 6.9150 6.9319 7.1676 7.1820 8.7160 8.7349 9.0163 9.0274 9.8661 9.8774 k =-0.2188 0.2965 0.7028 ( 5379 PWs) bands (ev): -12.0139 -12.0133 -11.9603 -11.9595 -11.8633 -11.8623 -11.7712 -11.7694 -3.7401 -3.7247 -3.6964 -3.6721 -3.6129 -3.5674 -3.5298 -3.4830 -3.4016 -3.3708 -3.3362 -3.2740 -3.2592 -3.2453 -3.1694 -3.1439 -3.0919 -3.0699 -3.0374 -3.0227 -2.1296 -2.1131 -1.9135 -1.8936 -0.6286 -0.6043 -0.5726 -0.5472 -0.1601 -0.1436 0.1632 0.1732 0.4022 0.4134 0.5155 0.5383 0.8020 0.8194 0.9446 0.9598 1.0677 1.0823 1.2029 1.2057 6.9210 6.9376 7.2007 7.2145 8.6581 8.6760 8.9795 8.9911 9.8673 9.8788 k =-0.2271 0.3078 0.6889 ( 5372 PWs) bands (ev): -12.0176 -12.0171 -11.9612 -11.9604 -11.8652 -11.8643 -11.7652 -11.7634 -3.7408 -3.7250 -3.6977 -3.6713 -3.6160 -3.5676 -3.5323 -3.4829 -3.4029 -3.3694 -3.3385 -3.2721 -3.2605 -3.2473 -3.1734 -3.1451 -3.0921 -3.0692 -3.0374 -3.0225 -2.1223 -2.1064 -1.8863 -1.8662 -0.6162 -0.5932 -0.5506 -0.5259 -0.1639 -0.1464 0.1453 0.1590 0.3997 0.4154 0.4975 0.5218 0.7767 0.7960 0.9296 0.9462 1.0671 1.0817 1.2071 1.2097 6.9270 6.9432 7.2333 7.2465 8.6039 8.6208 8.9448 8.9567 9.8672 9.8790 k =-0.2353 0.3190 0.6750 ( 5381 PWs) bands (ev): -12.0211 -12.0206 -11.9621 -11.9613 -11.8670 -11.8661 -11.7596 -11.7578 -3.7416 -3.7253 -3.6990 -3.6705 -3.6188 -3.5679 -3.5346 -3.4829 -3.4041 -3.3680 -3.3405 -3.2712 -3.2608 -3.2491 -3.1773 -3.1463 -3.0922 -3.0687 -3.0373 -3.0224 -2.1154 -2.1001 -1.8602 -1.8400 -0.6066 -0.5860 -0.5256 -0.5026 -0.1642 -0.1456 0.1237 0.1403 0.3991 0.4190 0.4781 0.5047 0.7524 0.7736 0.9158 0.9337 1.0668 1.0814 1.2110 1.2134 6.9328 6.9487 7.2650 7.2776 8.5538 8.5695 8.9121 8.9244 9.8660 9.8781 k =-0.2436 0.3302 0.6611 ( 5375 PWs) bands (ev): -12.0243 -12.0238 -11.9630 -11.9622 -11.8686 -11.8678 -11.7544 -11.7526 -3.7423 -3.7256 -3.7001 -3.6698 -3.6214 -3.5681 -3.5367 -3.4831 -3.4051 -3.3666 -3.3422 -3.2713 -3.2601 -3.2505 -3.1811 -3.1474 -3.0922 -3.0682 -3.0369 -3.0222 -2.1089 -2.0943 -1.8355 -1.8151 -0.6000 -0.5820 -0.4985 -0.4773 -0.1613 -0.1414 0.0998 0.1186 0.3982 0.4221 0.4582 0.4883 0.7296 0.7527 0.9032 0.9226 1.0667 1.0814 1.2146 1.2168 6.9384 6.9538 7.2956 7.3075 8.5078 8.5223 8.8819 8.8944 9.8638 9.8762 k =-0.2519 0.3414 0.6471 ( 5371 PWs) bands (ev): -12.0272 -12.0267 -11.9639 -11.9630 -11.8700 -11.8693 -11.7496 -11.7478 -3.7429 -3.7260 -3.7010 -3.6691 -3.6236 -3.5683 -3.5387 -3.4833 -3.4059 -3.3654 -3.3436 -3.2720 -3.2593 -3.2511 -3.1848 -3.1484 -3.0922 -3.0679 -3.0365 -3.0221 -2.1028 -2.0889 -1.8124 -1.7919 -0.5961 -0.5804 -0.4699 -0.4502 -0.1557 -0.1344 0.0745 0.0950 0.3944 0.4211 0.4407 0.4743 0.7087 0.7335 0.8921 0.9130 1.0667 1.0814 1.2179 1.2198 6.9437 6.9586 7.3246 7.3358 8.4660 8.4793 8.8542 8.8669 9.8608 9.8737 k =-0.2602 0.3526 0.6332 ( 5379 PWs) bands (ev): -12.0298 -12.0293 -11.9647 -11.9638 -11.8713 -11.8706 -11.7454 -11.7436 -3.7434 -3.7265 -3.7019 -3.6686 -3.6256 -3.5685 -3.5404 -3.4837 -3.4067 -3.3643 -3.3446 -3.2729 -3.2594 -3.2504 -3.1883 -3.1494 -3.0923 -3.0676 -3.0360 -3.0221 -2.0973 -2.0840 -1.7912 -1.7706 -0.5946 -0.5808 -0.4404 -0.4217 -0.1479 -0.1252 0.0486 0.0706 0.3854 0.4077 0.4343 0.4645 0.6901 0.7163 0.8826 0.9050 1.0667 1.0815 1.2208 1.2225 6.9484 6.9629 7.3517 7.3622 8.4287 8.4408 8.8292 8.8422 9.8573 9.8708 k =-0.2684 0.3638 0.6193 ( 5380 PWs) bands (ev): -12.0320 -12.0316 -11.9654 -11.9645 -11.8724 -11.8718 -11.7417 -11.7398 -3.7439 -3.7269 -3.7027 -3.6681 -3.6273 -3.5687 -3.5420 -3.4840 -3.4074 -3.3635 -3.3454 -3.2737 -3.2603 -3.2487 -3.1916 -3.1503 -3.0923 -3.0674 -3.0354 -3.0222 -2.0923 -2.0797 -1.7721 -1.7514 -0.5947 -0.5825 -0.4104 -0.3923 -0.1391 -0.1149 0.0228 0.0463 0.3709 0.3879 0.4338 0.4588 0.6740 0.7013 0.8748 0.8985 1.0667 1.0817 1.2233 1.2248 6.9527 6.9667 7.3764 7.3862 8.3960 8.4068 8.8072 8.8203 9.8534 9.8676 k =-0.2767 0.3750 0.6053 ( 5382 PWs) bands (ev): -12.0340 -12.0335 -11.9660 -11.9652 -11.8734 -11.8728 -11.7385 -11.7366 -3.7443 -3.7272 -3.7033 -3.6676 -3.6288 -3.5688 -3.5433 -3.4843 -3.4079 -3.3629 -3.3458 -3.2743 -3.2615 -3.2465 -3.1947 -3.1511 -3.0923 -3.0673 -3.0349 -3.0223 -2.0879 -2.0760 -1.7554 -1.7347 -0.5959 -0.5849 -0.3804 -0.3627 -0.1302 -0.1050 -0.0019 0.0232 0.3533 0.3678 0.4340 0.4551 0.6606 0.6887 0.8684 0.8934 1.0667 1.0818 1.2255 1.2268 6.9563 6.9699 7.3983 7.4074 8.3681 8.3776 8.7882 8.8014 9.8494 9.8644 k =-0.2850 0.3862 0.5914 ( 5374 PWs) bands (ev): -12.0355 -12.0351 -11.9666 -11.9657 -11.8741 -11.8736 -11.7358 -11.7340 -3.7446 -3.7275 -3.7038 -3.6672 -3.6300 -3.5690 -3.5443 -3.4846 -3.4083 -3.3625 -3.3460 -3.2748 -3.2627 -3.2443 -3.1974 -3.1517 -3.0922 -3.0672 -3.0344 -3.0224 -2.0843 -2.0730 -1.7414 -1.7207 -0.5977 -0.5877 -0.3511 -0.3336 -0.1231 -0.0978 -0.0239 0.0028 0.3353 0.3491 0.4342 0.4521 0.6500 0.6786 0.8634 0.8896 1.0667 1.0819 1.2273 1.2284 6.9594 6.9726 7.4170 7.4254 8.3449 8.3532 8.7725 8.7858 9.8458 9.8615 k =-0.2932 0.3974 0.5775 ( 5374 PWs) bands (ev): -12.0368 -12.0363 -11.9670 -11.9661 -11.8747 -11.8742 -11.7338 -11.7319 -3.7449 -3.7278 -3.7042 -3.6669 -3.6309 -3.5691 -3.5452 -3.4848 -3.4086 -3.3622 -3.3460 -3.2750 -3.2637 -3.2424 -3.1998 -3.1522 -3.0922 -3.0671 -3.0339 -3.0225 -2.0814 -2.0706 -1.7303 -1.7095 -0.5995 -0.5903 -0.3236 -0.3061 -0.1199 -0.0971 -0.0402 -0.0124 0.3191 0.3327 0.4344 0.4492 0.6421 0.6709 0.8597 0.8868 1.0667 1.0820 1.2288 1.2296 6.9618 6.9746 7.4321 7.4399 8.3268 8.3341 8.7601 8.7734 9.8426 9.8590 k =-0.3015 0.4086 0.5635 ( 5368 PWs) bands (ev): -12.0377 -12.0372 -11.9673 -11.9664 -11.8752 -11.8747 -11.7323 -11.7305 -3.7451 -3.7280 -3.7045 -3.6667 -3.6316 -3.5691 -3.5458 -3.4850 -3.4088 -3.3621 -3.3460 -3.2752 -3.2646 -3.2407 -3.2016 -3.1526 -3.0922 -3.0671 -3.0335 -3.0226 -2.0792 -2.0688 -1.7222 -1.7014 -0.6010 -0.5924 -0.2997 -0.2819 -0.1220 -0.1046 -0.0486 -0.0203 0.3062 0.3199 0.4346 0.4465 0.6366 0.6656 0.8572 0.8849 1.0667 1.0820 1.2298 1.2305 6.9635 6.9761 7.4431 7.4505 8.3138 8.3202 8.7511 8.7645 9.8402 9.8572 k =-0.3098 0.4198 0.5496 ( 5370 PWs) bands (ev): -12.0382 -12.0377 -11.9675 -11.9666 -11.8754 -11.8750 -11.7314 -11.7296 -3.7452 -3.7281 -3.7046 -3.6666 -3.6320 -3.5692 -3.5461 -3.4851 -3.4090 -3.3621 -3.3460 -3.2753 -3.2651 -3.2397 -3.2028 -3.1528 -3.0922 -3.0670 -3.0333 -3.0226 -2.0780 -2.0678 -1.7173 -1.6965 -0.6020 -0.5938 -0.2823 -0.2643 -0.1276 -0.1144 -0.0514 -0.0225 0.2979 0.3117 0.4348 0.4445 0.6334 0.6624 0.8557 0.8838 1.0667 1.0821 1.2305 1.2310 6.9645 6.9770 7.4499 7.4569 8.3060 8.3117 8.7457 8.7592 9.8387 9.8560 k =-0.3181 0.4311 0.5357 ( 5361 PWs) bands (ev): -12.0384 -12.0379 -11.9675 -11.9667 -11.8755 -11.8751 -11.7311 -11.7293 -3.7453 -3.7281 -3.7047 -3.6665 -3.6321 -3.5692 -3.5462 -3.4851 -3.4090 -3.3620 -3.3459 -3.2753 -3.2653 -3.2393 -3.2032 -3.1529 -3.0921 -3.0670 -3.0332 -3.0226 -2.0775 -2.0674 -1.7156 -1.6948 -0.6024 -0.5943 -0.2757 -0.2576 -0.1307 -0.1189 -0.0520 -0.0228 0.2950 0.3089 0.4350 0.4438 0.6324 0.6614 0.8552 0.8835 1.0667 1.0821 1.2307 1.2312 6.9649 6.9773 7.4522 7.4591 8.3034 8.3089 8.7439 8.7574 9.8382 9.8556 k =-0.3181 0.4311 0.5357 ( 5361 PWs) bands (ev): -12.0384 -12.0379 -11.9675 -11.9667 -11.8755 -11.8751 -11.7311 -11.7293 -3.7453 -3.7281 -3.7047 -3.6665 -3.6321 -3.5692 -3.5462 -3.4851 -3.4090 -3.3620 -3.3459 -3.2753 -3.2653 -3.2393 -3.2032 -3.1529 -3.0921 -3.0670 -3.0332 -3.0226 -2.0775 -2.0674 -1.7156 -1.6948 -0.6024 -0.5943 -0.2757 -0.2576 -0.1307 -0.1189 -0.0520 -0.0228 0.2950 0.3089 0.4350 0.4438 0.6324 0.6614 0.8552 0.8835 1.0667 1.0821 1.2307 1.2312 6.9649 6.9773 7.4522 7.4591 8.3034 8.3089 8.7439 8.7574 9.8382 9.8556 k =-0.3097 0.4197 0.5216 ( 5369 PWs) bands (ev): -12.0437 -12.0433 -11.9597 -11.9589 -11.8786 -11.8781 -11.7299 -11.7280 -3.7471 -3.7270 -3.7040 -3.6679 -3.6320 -3.5623 -3.5432 -3.4840 -3.4058 -3.3609 -3.3480 -3.2745 -3.2617 -3.2339 -3.1977 -3.1475 -3.0945 -3.0673 -3.0317 -3.0215 -2.0959 -2.0868 -1.7092 -1.6879 -0.6293 -0.6209 -0.2726 -0.2546 -0.1371 -0.1254 -0.0714 -0.0407 0.2980 0.3122 0.4267 0.4364 0.6508 0.6832 0.8520 0.8836 1.0708 1.0863 1.2343 1.2349 6.9559 6.9682 7.4844 7.4917 8.3480 8.3537 8.8047 8.8195 9.9019 9.9226 k =-0.3013 0.4084 0.5075 ( 5365 PWs) bands (ev): -12.0506 -12.0503 -11.9518 -11.9509 -11.8802 -11.8796 -11.7287 -11.7268 -3.7489 -3.7259 -3.7033 -3.6695 -3.6318 -3.5552 -3.5401 -3.4832 -3.4017 -3.3596 -3.3501 -3.2741 -3.2583 -3.2280 -3.1921 -3.1423 -3.0966 -3.0675 -3.0300 -3.0203 -2.1146 -2.1067 -1.7033 -1.6815 -0.6557 -0.6470 -0.2682 -0.2506 -0.1423 -0.1310 -0.0906 -0.0583 0.2993 0.3138 0.4205 0.4310 0.6691 0.7047 0.8515 0.8862 1.0728 1.0885 1.2367 1.2374 6.9442 6.9564 7.5157 7.5234 8.3934 8.3992 8.8621 8.8783 9.9607 9.9854 k =-0.2929 0.3970 0.4934 ( 5373 PWs) bands (ev): -12.0591 -12.0588 -11.9437 -11.9428 -11.8803 -11.8797 -11.7275 -11.7256 -3.7508 -3.7248 -3.7026 -3.6713 -3.6313 -3.5481 -3.5369 -3.4825 -3.3970 -3.3580 -3.3521 -3.2741 -3.2552 -3.2220 -3.1866 -3.1377 -3.0985 -3.0675 -3.0280 -3.0192 -2.1337 -2.1271 -1.6978 -1.6755 -0.6815 -0.6725 -0.2628 -0.2454 -0.1468 -0.1360 -0.1093 -0.0754 0.2988 0.3137 0.4168 0.4279 0.6870 0.7253 0.8541 0.8915 1.0727 1.0885 1.2379 1.2388 6.9295 6.9416 7.5458 7.5539 8.4394 8.4454 8.9152 8.9328 10.0123 10.0417 k =-0.2846 0.3857 0.4793 ( 5373 PWs) bands (ev): -12.0689 -12.0686 -11.9355 -11.9346 -11.8792 -11.8785 -11.7263 -11.7243 -3.7528 -3.7236 -3.7020 -3.6732 -3.6307 -3.5411 -3.5336 -3.4818 -3.3919 -3.3564 -3.3543 -3.2744 -3.2524 -3.2157 -3.1811 -3.1334 -3.0999 -3.0673 -3.0258 -3.0181 -2.1530 -2.1479 -1.6927 -1.6700 -0.7063 -0.6972 -0.2562 -0.2394 -0.1505 -0.1409 -0.1277 -0.0920 0.2964 0.3117 0.4158 0.4276 0.7041 0.7444 0.8604 0.8996 1.0703 1.0863 1.2381 1.2393 6.9116 6.9235 7.5745 7.5831 8.4860 8.4921 8.9633 8.9820 10.0544 10.0887 k =-0.2762 0.3743 0.4652 ( 5375 PWs) bands (ev): -12.0798 -12.0796 -11.9272 -11.9262 -11.8770 -11.8763 -11.7251 -11.7231 -3.7547 -3.7224 -3.7013 -3.6753 -3.6299 -3.5344 -3.5304 -3.4807 -3.3865 -3.3564 -3.3545 -3.2750 -3.2499 -3.2092 -3.1757 -3.1298 -3.1007 -3.0670 -3.0234 -3.0170 -2.1725 -2.1690 -1.6880 -1.6648 -0.7303 -0.7209 -0.2488 -0.2327 -0.1539 -0.1461 -0.1455 -0.1077 0.2922 0.3079 0.4179 0.4302 0.7203 0.7612 0.8708 0.9103 1.0659 1.0820 1.2374 1.2390 6.8904 6.9019 7.6017 7.6107 8.5331 8.5393 9.0053 9.0250 10.0847 10.1238 k =-0.2678 0.3630 0.4511 ( 5375 PWs) bands (ev): -12.0917 -12.0915 -11.9188 -11.9179 -11.8739 -11.8731 -11.7239 -11.7219 -3.7566 -3.7212 -3.7006 -3.6775 -3.6288 -3.5284 -3.5271 -3.4789 -3.3811 -3.3583 -3.3526 -3.2758 -3.2478 -3.2028 -3.1705 -3.1269 -3.1006 -3.0665 -3.0208 -3.0161 -2.1921 -2.1904 -1.6834 -1.6598 -0.7531 -0.7435 -0.2405 -0.2257 -0.1632 -0.1564 -0.1523 -0.1219 0.2864 0.3024 0.4235 0.4360 0.7352 0.7750 0.8856 0.9235 1.0593 1.0757 1.2360 1.2380 6.8656 6.8768 7.6272 7.6366 8.5806 8.5870 9.0403 9.0607 10.1021 10.1455 k =-0.2595 0.3516 0.4370 ( 5379 PWs) bands (ev): -12.1043 -12.1042 -11.9104 -11.9094 -11.8700 -11.8691 -11.7227 -11.7206 -3.7585 -3.7199 -3.7000 -3.6798 -3.6276 -3.5239 -3.5233 -3.4762 -3.3761 -3.3599 -3.3505 -3.2769 -3.2462 -3.1962 -3.1655 -3.1249 -3.0995 -3.0658 -3.0180 -3.0152 -2.2120 -2.2118 -1.6789 -1.6549 -0.7746 -0.7650 -0.2318 -0.2198 -0.1786 -0.1605 -0.1592 -0.1338 0.2792 0.2953 0.4326 0.4452 0.7486 0.7859 0.9043 0.9390 1.0508 1.0674 1.2341 1.2367 6.8372 6.8479 7.6509 7.6607 8.6286 8.6352 9.0674 9.0881 10.1067 10.1533 k =-0.2511 0.3403 0.4229 ( 5367 PWs) bands (ev): -12.1175 -12.1174 -11.9020 -11.9010 -11.8655 -11.8646 -11.7215 -11.7194 -3.7603 -3.7187 -3.6993 -3.6821 -3.6262 -3.5207 -3.5194 -3.4721 -3.3724 -3.3600 -3.3483 -3.2780 -3.2449 -3.1897 -3.1607 -3.1238 -3.0972 -3.0648 -3.0150 -3.0144 -2.2337 -2.2315 -1.6743 -1.6500 -0.7948 -0.7850 -0.2231 -0.2189 -0.1889 -0.1711 -0.1613 -0.1428 0.2707 0.2869 0.4455 0.4579 0.7603 0.7940 0.9262 0.9564 1.0403 1.0571 1.2320 1.2354 6.8050 6.8152 7.6725 7.6828 8.6768 8.6837 9.0857 9.1061 10.1002 10.1489 k =-0.2427 0.3290 0.4088 ( 5357 PWs) bands (ev): -12.1311 -12.1310 -11.8935 -11.8926 -11.8605 -11.8596 -11.7203 -11.7182 -3.7621 -3.7174 -3.6986 -3.6846 -3.6246 -3.5176 -3.5166 -3.4668 -3.3716 -3.3577 -3.3460 -3.2792 -3.2441 -3.1832 -3.1561 -3.1234 -3.0940 -3.0637 -3.0137 -3.0120 -2.2554 -2.2511 -1.6695 -1.6449 -0.8134 -0.8036 -0.2280 -0.2162 -0.1900 -0.1819 -0.1621 -0.1493 0.2612 0.2773 0.4620 0.4739 0.7699 0.7998 0.9502 0.9755 1.0281 1.0451 1.2301 1.2344 6.7691 6.7788 7.6921 7.7029 8.7251 8.7324 9.0946 9.1140 10.0856 10.1351 k =-0.2344 0.3176 0.3947 ( 5355 PWs) bands (ev): -12.1450 -12.1449 -11.8851 -11.8841 -11.8552 -11.8542 -11.7191 -11.7170 -3.7639 -3.7161 -3.6979 -3.6871 -3.6228 -3.5149 -3.5147 -3.4603 -3.3729 -3.3533 -3.3437 -3.2805 -3.2438 -3.1769 -3.1517 -3.1236 -3.0899 -3.0625 -3.0131 -3.0090 -2.2771 -2.2705 -1.6643 -1.6395 -0.8305 -0.8206 -0.2428 -0.2163 -0.1881 -0.1874 -0.1600 -0.1542 0.2511 0.2669 0.4821 0.4933 0.7771 0.8032 0.9754 0.9957 1.0145 1.0316 1.2286 1.2342 6.7296 6.7387 7.7096 7.7207 8.7730 8.7810 9.0939 9.1115 10.0661 10.1150 k =-0.2260 0.3063 0.3806 ( 5353 PWs) bands (ev): -12.1591 -12.1590 -11.8768 -11.8758 -11.8495 -11.8486 -11.7179 -11.7159 -3.7656 -3.7148 -3.6972 -3.6896 -3.6208 -3.5141 -3.5120 -3.4530 -3.3752 -3.3484 -3.3414 -3.2817 -3.2439 -3.1706 -3.1475 -3.1242 -3.0853 -3.0610 -3.0126 -3.0060 -2.2986 -2.2898 -1.6587 -1.6336 -0.8458 -0.8359 -0.2592 -0.2264 -0.1884 -0.1853 -0.1567 -0.1542 0.2405 0.2559 0.5054 0.5157 0.7815 0.8041 0.9934 1.0077 1.0128 1.0208 1.2281 1.2353 6.6864 6.6949 7.7248 7.7363 8.8195 8.8289 9.0842 9.0988 10.0444 10.0918 k =-0.2176 0.2949 0.3665 ( 5345 PWs) bands (ev): -12.1732 -12.1732 -11.8685 -11.8675 -11.8437 -11.8428 -11.7168 -11.7147 -3.7672 -3.7135 -3.6964 -3.6922 -3.6186 -3.5137 -3.5094 -3.4452 -3.3779 -3.3435 -3.3391 -3.2827 -3.2445 -3.1646 -3.1435 -3.1251 -3.0804 -3.0593 -3.0122 -3.0031 -2.3200 -2.3088 -1.6524 -1.6272 -0.8593 -0.8493 -0.2762 -0.2408 -0.1909 -0.1834 -0.1549 -0.1458 0.2299 0.2447 0.5316 0.5409 0.7829 0.8025 0.9800 0.9993 1.0317 1.0401 1.2287 1.2379 6.6397 6.6477 7.7378 7.7497 8.8623 8.8743 9.0680 9.0779 10.0229 10.0679 k =-0.2092 0.2836 0.3524 ( 5341 PWs) bands (ev): -12.1873 -12.1873 -11.8603 -11.8593 -11.8378 -11.8368 -11.7156 -11.7136 -3.7687 -3.7122 -3.6957 -3.6948 -3.6162 -3.5137 -3.5071 -3.4371 -3.3808 -3.3388 -3.3368 -3.2836 -3.2454 -3.1587 -3.1396 -3.1260 -3.0752 -3.0575 -3.0119 -3.0004 -2.3412 -2.3276 -1.6454 -1.6200 -0.8709 -0.8609 -0.2933 -0.2566 -0.1947 -0.1852 -0.1484 -0.1364 0.2195 0.2335 0.5602 0.5683 0.7810 0.7980 0.9627 0.9824 1.0591 1.0624 1.2309 1.2425 6.5898 6.5971 7.7486 7.7608 8.8947 8.9115 9.0525 9.0549 10.0028 10.0446 k =-0.2009 0.2722 0.3383 ( 5343 PWs) bands (ev): -12.2014 -12.2013 -11.8522 -11.8513 -11.8318 -11.8308 -11.7146 -11.7126 -3.7702 -3.7109 -3.6976 -3.6949 -3.6136 -3.5140 -3.5050 -3.4289 -3.3839 -3.3345 -3.3344 -3.2842 -3.2467 -3.1531 -3.1360 -3.1270 -3.0698 -3.0555 -3.0118 -2.9978 -2.3620 -2.3460 -1.6376 -1.6120 -0.8805 -0.8705 -0.3106 -0.2731 -0.1993 -0.1892 -0.1397 -0.1269 0.2096 0.2226 0.5905 0.5972 0.7757 0.7907 0.9447 0.9650 1.0851 1.0870 1.2347 1.2491 6.5369 6.5436 7.7571 7.7696 8.9018 8.9233 9.0485 9.0532 9.9850 10.0102 k =-0.1925 0.2609 0.3242 ( 5341 PWs) bands (ev): -12.2153 -12.2152 -11.8443 -11.8433 -11.8257 -11.8248 -11.7135 -11.7115 -3.7715 -3.7097 -3.7004 -3.6941 -3.6109 -3.5144 -3.5032 -3.4208 -3.3871 -3.3324 -3.3303 -3.2845 -3.2483 -3.1478 -3.1329 -3.1275 -3.0645 -3.0534 -3.0117 -2.9955 -2.3824 -2.3640 -1.6287 -1.6031 -0.8880 -0.8781 -0.3278 -0.2898 -0.2042 -0.1942 -0.1306 -0.1180 0.2006 0.2123 0.6215 0.6267 0.7670 0.7804 0.9270 0.9482 1.1079 1.1150 1.2403 1.2579 6.4812 6.4874 7.7633 7.7761 8.8763 8.8957 9.0734 9.0788 9.9604 9.9676 k =-0.1841 0.2496 0.3101 ( 5345 PWs) bands (ev): -12.2289 -12.2289 -11.8365 -11.8356 -11.8197 -11.8188 -11.7124 -11.7105 -3.7728 -3.7084 -3.7032 -3.6933 -3.6080 -3.5150 -3.5016 -3.4131 -3.3901 -3.3303 -3.3267 -3.2845 -3.2501 -3.1426 -3.1319 -3.1261 -3.0592 -3.0511 -3.0118 -2.9933 -2.4024 -2.3817 -1.6188 -1.5932 -0.8935 -0.8835 -0.3450 -0.3067 -0.2093 -0.1996 -0.1220 -0.1102 0.1927 0.2029 0.6517 0.6554 0.7552 0.7675 0.9111 0.9331 1.1305 1.1428 1.2477 1.2688 6.4230 6.4287 7.7675 7.7805 8.8304 8.8458 9.1137 9.1176 9.9110 9.9301 k =-0.1758 0.2382 0.2960 ( 5345 PWs) bands (ev): -12.2423 -12.2423 -11.8289 -11.8280 -11.8137 -11.8128 -11.7114 -11.7096 -3.7739 -3.7071 -3.7061 -3.6924 -3.6049 -3.5156 -3.5002 -3.4068 -3.3922 -3.3284 -3.3233 -3.2840 -3.2522 -3.1378 -3.1329 -3.1229 -3.0541 -3.0488 -3.0120 -2.9915 -2.4219 -2.3989 -1.6077 -1.5821 -0.8967 -0.8868 -0.3622 -0.3236 -0.2146 -0.2053 -0.1146 -0.1041 0.1864 0.1947 0.6784 0.6806 0.7408 0.7524 0.8991 0.9220 1.1530 1.1703 1.2566 1.2816 6.3628 6.3679 7.7696 7.7827 8.7743 8.7863 9.1576 9.1605 9.8628 9.8823 k =-0.1674 0.2269 0.2819 ( 5341 PWs) bands (ev): -12.2554 -12.2554 -11.8215 -11.8206 -11.8078 -11.8069 -11.7105 -11.7086 -3.7749 -3.7090 -3.7058 -3.6915 -3.6017 -3.5162 -3.4991 -3.4042 -3.3910 -3.3266 -3.3200 -3.2832 -3.2543 -3.1344 -3.1331 -3.1193 -3.0491 -3.0464 -3.0122 -2.9899 -2.4408 -2.4157 -1.5955 -1.5700 -0.8978 -0.8879 -0.3792 -0.3405 -0.2201 -0.2111 -0.1088 -0.0999 0.1818 0.1879 0.6967 0.6975 0.7259 0.7364 0.8950 0.9178 1.1751 1.1975 1.2669 1.2959 6.3009 6.3055 7.7697 7.7829 8.7125 8.7217 9.2011 9.2033 9.8161 9.8351 k =-0.1590 0.2155 0.2678 ( 5339 PWs) bands (ev): -12.2681 -12.2681 -11.8143 -11.8135 -11.8020 -11.8012 -11.7095 -11.7077 -3.7758 -3.7119 -3.7044 -3.6907 -3.5983 -3.5170 -3.4982 -3.4060 -3.3862 -3.3250 -3.3167 -3.2821 -3.2565 -3.1362 -3.1287 -3.1155 -3.0444 -3.0441 -3.0125 -2.9886 -2.4590 -2.4319 -1.5821 -1.5567 -0.8967 -0.8869 -0.3961 -0.3574 -0.2256 -0.2171 -0.1050 -0.0980 0.1791 0.1827 0.6946 0.6991 0.7190 0.7233 0.9026 0.9240 1.1969 1.2240 1.2784 1.3115 6.2376 6.2418 7.7680 7.7813 8.6475 8.6545 9.2421 9.2438 9.7709 9.7894 k =-0.1507 0.2042 0.2537 ( 5339 PWs) bands (ev): -12.2804 -12.2804 -11.8074 -11.8066 -11.7964 -11.7956 -11.7086 -11.7069 -3.7765 -3.7149 -3.7032 -3.6898 -3.5948 -3.5177 -3.4976 -3.4094 -3.3806 -3.3237 -3.3132 -3.2807 -3.2586 -3.1381 -3.1246 -3.1117 -3.0417 -3.0400 -3.0128 -2.9876 -2.4766 -2.4477 -1.5675 -1.5422 -0.8934 -0.8836 -0.4129 -0.3742 -0.2313 -0.2232 -0.1035 -0.0986 0.1782 0.1790 0.6760 0.6845 0.7138 0.7152 0.9229 0.9416 1.2182 1.2499 1.2908 1.3279 6.1735 6.1772 7.7647 7.7779 8.5810 8.5861 9.2788 9.2804 9.7275 9.7453 k =-0.1423 0.1928 0.2397 ( 5335 PWs) bands (ev): -12.2922 -12.2922 -11.8008 -11.8000 -11.7910 -11.7901 -11.7078 -11.7061 -3.7771 -3.7178 -3.7018 -3.6889 -3.5912 -3.5185 -3.4972 -3.4133 -3.3753 -3.3225 -3.3092 -3.2792 -3.2606 -3.1402 -3.1206 -3.1080 -3.0396 -3.0361 -3.0131 -2.9869 -2.4934 -2.4629 -1.5516 -1.5265 -0.8879 -0.8782 -0.4294 -0.3908 -0.2372 -0.2295 -0.1044 -0.1017 0.1768 0.1789 0.6538 0.6638 0.7002 0.7049 0.9529 0.9686 1.2390 1.2750 1.3041 1.3449 6.1089 6.1122 7.7599 7.7729 8.5140 8.5177 9.3102 9.3117 9.6859 9.7030 k =-0.1339 0.1815 0.2256 ( 5339 PWs) bands (ev): -12.3035 -12.3035 -11.7944 -11.7936 -11.7857 -11.7849 -11.7069 -11.7053 -3.7775 -3.7208 -3.7006 -3.6881 -3.5875 -3.5193 -3.4970 -3.4175 -3.3708 -3.3217 -3.3047 -3.2777 -3.2626 -3.1425 -3.1168 -3.1043 -3.0376 -3.0326 -3.0133 -2.9864 -2.5093 -2.4776 -1.5346 -1.5098 -0.8802 -0.8706 -0.4457 -0.4073 -0.2432 -0.2360 -0.1077 -0.1073 0.1759 0.1808 0.6305 0.6414 0.6825 0.6894 0.9887 1.0018 1.2593 1.2988 1.3181 1.3622 6.0443 6.0472 7.7537 7.7666 8.4476 8.4501 9.3352 9.3368 9.6463 9.6626 k =-0.1255 0.1702 0.2115 ( 5345 PWs) bands (ev): -12.3143 -12.3143 -11.7883 -11.7876 -11.7806 -11.7799 -11.7062 -11.7046 -3.7778 -3.7238 -3.6993 -3.6872 -3.5837 -3.5202 -3.4970 -3.4219 -3.3671 -3.3213 -3.2995 -3.2761 -3.2643 -3.1449 -3.1132 -3.1006 -3.0360 -3.0296 -3.0133 -2.9862 -2.5244 -2.4917 -1.5166 -1.4920 -0.8704 -0.8609 -0.4617 -0.4236 -0.2495 -0.2429 -0.1150 -0.1134 0.1758 0.1836 0.6068 0.6186 0.6625 0.6709 1.0276 1.0385 1.2790 1.3207 1.3334 1.3794 5.9801 5.9826 7.7465 7.7590 8.3825 8.3840 9.3536 9.3552 9.6088 9.6242 k =-0.1172 0.1588 0.1974 ( 5353 PWs) bands (ev): -12.3246 -12.3246 -11.7825 -11.7819 -11.7758 -11.7751 -11.7054 -11.7040 -3.7780 -3.7268 -3.6980 -3.6864 -3.5798 -3.5210 -3.4972 -3.4264 -3.3641 -3.3212 -3.2939 -3.2746 -3.2658 -3.1474 -3.1096 -3.0971 -3.0347 -3.0271 -3.0131 -2.9861 -2.5386 -2.5052 -1.4976 -1.4733 -0.8585 -0.8491 -0.4775 -0.4397 -0.2561 -0.2500 -0.1248 -0.1214 0.1761 0.1865 0.5834 0.5963 0.6415 0.6510 1.0678 1.0769 1.2982 1.3389 1.3514 1.3964 5.9169 5.9191 7.7383 7.7505 8.3193 8.3201 9.3655 9.3672 9.5734 9.5879 k =-0.1088 0.1475 0.1833 ( 5353 PWs) bands (ev): -12.3343 -12.3343 -11.7771 -11.7765 -11.7713 -11.7706 -11.7047 -11.7034 -3.7780 -3.7298 -3.6967 -3.6857 -3.5758 -3.5219 -3.4975 -3.4310 -3.3617 -3.3214 -3.2878 -3.2730 -3.2670 -3.1501 -3.1061 -3.0936 -3.0339 -3.0252 -3.0126 -2.9862 -2.5518 -2.5181 -1.4777 -1.4539 -0.8447 -0.8355 -0.4929 -0.4556 -0.2629 -0.2574 -0.1363 -0.1313 0.1763 0.1891 0.5611 0.5749 0.6204 0.6307 1.1084 1.1158 1.3167 1.3540 1.3713 1.4129 5.8550 5.8569 7.7295 7.7412 8.2587 8.2588 9.3719 9.3734 9.5404 9.5538 k =-0.1004 0.1361 0.1692 ( 5353 PWs) bands (ev): -12.3433 -12.3433 -11.7720 -11.7715 -11.7669 -11.7663 -11.7041 -11.7028 -3.7778 -3.7328 -3.6955 -3.6849 -3.5717 -3.5228 -3.4979 -3.4356 -3.3597 -3.3219 -3.2816 -3.2712 -3.2680 -3.1530 -3.1027 -3.0903 -3.0336 -3.0239 -3.0118 -2.9863 -2.5639 -2.5304 -1.4571 -1.4338 -0.8291 -0.8200 -0.5080 -0.4713 -0.2699 -0.2652 -0.1495 -0.1432 0.1760 0.1907 0.5403 0.5550 0.5999 0.6106 1.1484 1.1543 1.3347 1.3677 1.3912 1.4288 5.7950 5.7967 7.7202 7.7314 8.2007 8.2010 9.3735 9.3749 9.5097 9.5220 k =-0.0921 0.1248 0.1551 ( 5349 PWs) bands (ev): -12.3517 -12.3517 -11.7673 -11.7668 -11.7629 -11.7623 -11.7035 -11.7023 -3.7775 -3.7357 -3.6942 -3.6843 -3.5677 -3.5237 -3.4983 -3.4403 -3.3581 -3.3228 -3.2761 -3.2686 -3.2686 -3.1560 -3.0993 -3.0870 -3.0337 -3.0233 -3.0107 -2.9866 -2.5750 -2.5420 -1.4360 -1.4134 -0.8118 -0.8028 -0.5226 -0.4868 -0.2772 -0.2732 -0.1640 -0.1567 0.1748 0.1910 0.5216 0.5371 0.5805 0.5914 1.1871 1.1916 1.3520 1.3808 1.4102 1.4438 5.7375 5.7389 7.7106 7.7212 8.1460 8.1466 9.3717 9.3727 9.4815 9.4926 k =-0.0837 0.1134 0.1410 ( 5341 PWs) bands (ev): -12.3595 -12.3595 -11.7630 -11.7626 -11.7591 -11.7586 -11.7029 -11.7018 -3.7769 -3.7385 -3.6930 -3.6836 -3.5637 -3.5246 -3.4987 -3.4450 -3.3567 -3.3240 -3.2726 -3.2690 -3.2640 -3.1592 -3.0959 -3.0839 -3.0341 -3.0232 -3.0094 -2.9870 -2.5849 -2.5530 -1.4147 -1.3928 -0.7929 -0.7842 -0.5368 -0.5021 -0.2847 -0.2813 -0.1799 -0.1718 0.1724 0.1896 0.5054 0.5213 0.5625 0.5733 1.2240 1.2269 1.3688 1.3933 1.4281 1.4579 5.6827 5.6839 7.7011 7.7110 8.0951 8.0959 9.3672 9.3678 9.4560 9.4657 k =-0.0753 0.1021 0.1269 ( 5353 PWs) bands (ev): -12.3666 -12.3666 -11.7590 -11.7587 -11.7557 -11.7553 -11.7024 -11.7014 -3.7763 -3.7414 -3.6918 -3.6832 -3.5597 -3.5255 -3.4990 -3.4497 -3.3555 -3.3255 -3.2709 -3.2692 -3.2578 -3.1625 -3.0925 -3.0809 -3.0349 -3.0237 -3.0080 -2.9874 -2.5937 -2.5632 -1.3934 -1.3724 -0.7727 -0.7643 -0.5504 -0.5172 -0.2922 -0.2894 -0.1968 -0.1883 0.1689 0.1864 0.4918 0.5077 0.5463 0.5567 1.2585 1.2598 1.3851 1.4054 1.4448 1.4709 5.6314 5.6324 7.6918 7.7009 8.0483 8.0493 9.3610 9.3610 9.4331 9.4414 k =-0.0670 0.0907 0.1128 ( 5355 PWs) bands (ev): -12.3730 -12.3730 -11.7555 -11.7552 -11.7525 -11.7522 -11.7020 -11.7010 -3.7755 -3.7442 -3.6906 -3.6827 -3.5558 -3.5264 -3.4993 -3.4544 -3.3543 -3.3271 -3.2698 -3.2692 -3.2511 -3.1661 -3.0890 -3.0781 -3.0359 -3.0248 -3.0065 -2.9879 -2.6013 -2.5728 -1.3724 -1.3525 -0.7515 -0.7434 -0.5632 -0.5320 -0.2996 -0.2973 -0.2147 -0.2060 0.1644 0.1816 0.4809 0.4962 0.5321 0.5419 1.2896 1.2899 1.4010 1.4171 1.4601 1.4827 5.5838 5.5847 7.6829 7.6912 8.0058 8.0068 9.3531 9.3537 9.4129 9.4197 k =-0.0586 0.0794 0.0987 ( 5367 PWs) bands (ev): -12.3787 -12.3787 -11.7523 -11.7522 -11.7497 -11.7494 -11.7015 -11.7007 -3.7745 -3.7469 -3.6895 -3.6824 -3.5521 -3.5273 -3.4993 -3.4591 -3.3532 -3.3289 -3.2691 -3.2690 -3.2443 -3.1698 -3.0856 -3.0755 -3.0370 -3.0263 -3.0050 -2.9885 -2.6077 -2.5816 -1.3520 -1.3336 -0.7296 -0.7220 -0.5752 -0.5464 -0.3070 -0.3050 -0.2332 -0.2246 0.1592 0.1755 0.4723 0.4864 0.5201 0.5290 1.3157 1.3176 1.4165 1.4285 1.4741 1.4933 5.5406 5.5413 7.6746 7.6820 7.9678 7.9689 9.3446 9.3459 9.3956 9.4008 k =-0.0502 0.0681 0.0846 ( 5375 PWs) bands (ev): -12.3836 -12.3836 -11.7496 -11.7495 -11.7472 -11.7470 -11.7012 -11.7005 -3.7735 -3.7496 -3.6884 -3.6822 -3.5485 -3.5281 -3.4991 -3.4638 -3.3520 -3.3309 -3.2688 -3.2684 -3.2376 -3.1737 -3.0822 -3.0731 -3.0381 -3.0282 -3.0035 -2.9892 -2.6129 -2.5896 -1.3328 -1.3160 -0.7074 -0.7004 -0.5859 -0.5602 -0.3140 -0.3122 -0.2519 -0.2438 0.1538 0.1686 0.4658 0.4781 0.5106 0.5182 1.3380 1.3412 1.4314 1.4396 1.4866 1.5026 5.5021 5.5026 7.6671 7.6735 7.9346 7.9356 9.3360 9.3379 9.3810 9.3848 k =-0.0418 0.0567 0.0705 ( 5365 PWs) bands (ev): -12.3878 -12.3878 -11.7473 -11.7473 -11.7450 -11.7449 -11.7009 -11.7003 -3.7722 -3.7522 -3.6874 -3.6821 -3.5452 -3.5289 -3.4985 -3.4683 -3.3506 -3.3329 -3.2685 -3.2679 -3.2310 -3.1778 -3.0787 -3.0709 -3.0392 -3.0304 -3.0020 -2.9900 -2.6169 -2.5968 -1.3150 -1.3002 -0.6854 -0.6794 -0.5952 -0.5732 -0.3207 -0.3187 -0.2702 -0.2631 0.1486 0.1614 0.4608 0.4709 0.5035 0.5095 1.3562 1.3604 1.4454 1.4504 1.4975 1.5105 5.4687 5.4691 7.6605 7.6660 7.9062 7.9072 9.3279 9.3302 9.3691 9.3716 k =-0.0335 0.0454 0.0564 ( 5357 PWs) bands (ev): -12.3913 -12.3913 -11.7455 -11.7455 -11.7433 -11.7432 -11.7006 -11.7001 -3.7707 -3.7547 -3.6864 -3.6821 -3.5422 -3.5297 -3.4974 -3.4727 -3.3492 -3.3349 -3.2682 -3.2675 -3.2246 -3.1821 -3.0754 -3.0691 -3.0402 -3.0328 -3.0005 -2.9909 -2.6198 -2.6032 -1.2992 -1.2868 -0.6646 -0.6599 -0.6025 -0.5850 -0.3269 -0.3246 -0.2872 -0.2815 0.1439 0.1545 0.4570 0.4647 0.4984 0.5028 1.3706 1.3751 1.4579 1.4604 1.5069 1.5169 5.4408 5.4412 7.6551 7.6595 7.8829 7.8837 9.3207 9.3230 9.3597 9.3612 k =-0.0251 0.0340 0.0423 ( 5353 PWs) bands (ev): -12.3939 -12.3939 -11.7440 -11.7440 -11.7418 -11.7418 -11.7004 -11.7000 -3.7691 -3.7571 -3.6855 -3.6822 -3.5396 -3.5306 -3.4959 -3.4770 -3.3477 -3.3369 -3.2679 -3.2673 -3.2185 -3.1866 -3.0724 -3.0675 -3.0410 -3.0352 -2.9991 -2.9918 -2.6214 -2.6087 -1.2859 -1.2761 -0.6458 -0.6432 -0.6074 -0.5953 -0.3329 -0.3299 -0.3016 -0.2979 0.1403 0.1484 0.4542 0.4596 0.4951 0.4981 1.3815 1.3856 1.4683 1.4693 1.5146 1.5219 5.4188 5.4191 7.6508 7.6542 7.8647 7.8653 9.3148 9.3168 9.3526 9.3534 k =-0.0167 0.0227 0.0282 ( 5349 PWs) bands (ev): -12.3959 -12.3959 -11.7430 -11.7430 -11.7408 -11.7408 -11.7002 -11.6999 -3.7674 -3.7594 -3.6847 -3.6825 -3.5373 -3.5315 -3.4938 -3.4810 -3.3462 -3.3389 -3.2676 -3.2672 -3.2126 -3.1913 -3.0698 -3.0665 -3.0415 -3.0375 -2.9977 -2.9929 -2.6219 -2.6133 -1.2754 -1.2687 -0.6311 -0.6305 -0.6092 -0.6036 -0.3382 -0.3350 -0.3122 -0.3106 0.1379 0.1434 0.4523 0.4557 0.4931 0.4949 1.3893 1.3923 1.4760 1.4762 1.5206 1.5252 5.4029 5.4031 7.6479 7.6501 7.8516 7.8520 9.3105 9.3120 9.3476 9.3480 k =-0.0084 0.0113 0.0141 ( 5339 PWs) bands (ev): -12.3970 -12.3970 -11.7424 -11.7424 -11.7402 -11.7402 -11.7000 -11.6999 -3.7656 -3.7615 -3.6839 -3.6828 -3.5354 -3.5326 -3.4913 -3.4848 -3.3444 -3.3408 -3.2673 -3.2671 -3.2069 -3.1963 -3.0678 -3.0661 -3.0414 -3.0394 -2.9964 -2.9940 -2.6213 -2.6170 -1.2682 -1.2648 -0.6245 -0.6214 -0.6084 -0.6083 -0.3420 -0.3397 -0.3183 -0.3179 0.1369 0.1397 0.4514 0.4530 0.4922 0.4930 1.3943 1.3959 1.4806 1.4807 1.5246 1.5269 5.3933 5.3934 7.6464 7.6475 7.8438 7.8440 9.3080 9.3088 9.3446 9.3448 k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -12.3974 -12.3974 -11.7422 -11.7422 -11.7400 -11.7400 -11.7000 -11.7000 -3.7636 -3.7636 -3.6833 -3.6833 -3.5338 -3.5338 -3.4882 -3.4882 -3.3426 -3.3426 -3.2672 -3.2672 -3.2015 -3.2015 -3.0665 -3.0665 -3.0407 -3.0407 -2.9951 -2.9951 -2.6197 -2.6197 -1.2647 -1.2647 -0.6210 -0.6210 -0.6081 -0.6081 -0.3426 -0.3426 -0.3202 -0.3202 0.1375 0.1375 0.4516 0.4516 0.4921 0.4921 1.3964 1.3964 1.4822 1.4822 1.5267 1.5267 5.3901 5.3901 7.6462 7.6462 7.8413 7.8413 9.3075 9.3075 9.3437 9.3437 k = 0.0000 0.0000 0.0000 ( 5333 PWs) bands (ev): -12.3974 -12.3974 -11.7422 -11.7422 -11.7400 -11.7400 -11.7000 -11.7000 -3.7636 -3.7636 -3.6833 -3.6833 -3.5338 -3.5338 -3.4882 -3.4882 -3.3426 -3.3426 -3.2672 -3.2672 -3.2015 -3.2015 -3.0665 -3.0665 -3.0407 -3.0407 -2.9951 -2.9951 -2.6197 -2.6197 -1.2647 -1.2647 -0.6210 -0.6210 -0.6081 -0.6081 -0.3426 -0.3426 -0.3202 -0.3202 0.1375 0.1375 0.4516 0.4516 0.4921 0.4921 1.3964 1.3964 1.4822 1.4822 1.5267 1.5267 5.3901 5.3901 7.6462 7.6462 7.8413 7.8413 9.3075 9.3075 9.3437 9.3437 k = 0.0161 0.0119-0.0000 ( 5337 PWs) bands (ev): -12.3970 -12.3970 -11.7422 -11.7422 -11.7400 -11.7400 -11.7004 -11.7004 -3.7637 -3.7637 -3.6832 -3.6832 -3.5339 -3.5339 -3.4885 -3.4885 -3.3426 -3.3426 -3.2677 -3.2677 -3.2015 -3.2015 -3.0678 -3.0678 -3.0403 -3.0403 -2.9960 -2.9960 -2.6174 -2.6174 -1.2660 -1.2660 -0.6201 -0.6201 -0.6072 -0.6072 -0.3414 -0.3414 -0.3191 -0.3191 0.1379 0.1379 0.4520 0.4520 0.4925 0.4925 1.3954 1.3954 1.4814 1.4814 1.5245 1.5245 5.3934 5.3934 7.6452 7.6452 7.8434 7.8434 9.3002 9.3002 9.3361 9.3361 k = 0.0323 0.0238-0.0000 ( 5345 PWs) bands (ev): -12.3958 -12.3958 -11.7423 -11.7423 -11.7401 -11.7401 -11.7019 -11.7019 -3.7637 -3.7637 -3.6831 -3.6831 -3.5342 -3.5342 -3.4894 -3.4894 -3.3423 -3.3423 -3.2690 -3.2690 -3.2015 -3.2015 -3.0714 -3.0714 -3.0394 -3.0394 -2.9986 -2.9986 -2.6105 -2.6105 -1.2699 -1.2699 -0.6172 -0.6172 -0.6043 -0.6043 -0.3382 -0.3382 -0.3155 -0.3155 0.1391 0.1391 0.4530 0.4530 0.4936 0.4936 1.3924 1.3924 1.4789 1.4789 1.5181 1.5181 5.4031 5.4031 7.6422 7.6422 7.8495 7.8495 9.2788 9.2788 9.3136 9.3136 k = 0.0484 0.0357-0.0000 ( 5353 PWs) bands (ev): -12.3937 -12.3937 -11.7423 -11.7423 -11.7401 -11.7401 -11.7043 -11.7043 -3.7638 -3.7638 -3.6828 -3.6828 -3.5347 -3.5347 -3.4909 -3.4909 -3.3418 -3.3418 -3.2712 -3.2712 -3.2017 -3.2017 -3.0770 -3.0770 -3.0383 -3.0383 -3.0024 -3.0024 -2.5995 -2.5995 -1.2763 -1.2763 -0.6125 -0.6125 -0.5996 -0.5996 -0.3333 -0.3333 -0.3092 -0.3092 0.1411 0.1411 0.4548 0.4548 0.4954 0.4954 1.3873 1.3873 1.4747 1.4747 1.5075 1.5075 5.4191 5.4191 7.6373 7.6373 7.8596 7.8596 9.2443 9.2443 9.2776 9.2776 k = 0.0645 0.0476-0.0000 ( 5361 PWs) bands (ev): -12.3908 -12.3908 -11.7424 -11.7424 -11.7402 -11.7402 -11.7076 -11.7076 -3.7639 -3.7639 -3.6823 -3.6823 -3.5354 -3.5354 -3.4930 -3.4930 -3.3413 -3.3413 -3.2741 -3.2741 -3.2020 -3.2020 -3.0843 -3.0843 -3.0374 -3.0374 -3.0070 -3.0070 -2.5848 -2.5848 -1.2850 -1.2850 -0.6060 -0.6060 -0.5931 -0.5931 -0.3272 -0.3272 -0.2999 -0.2999 0.1438 0.1438 0.4573 0.4573 0.4980 0.4980 1.3799 1.3799 1.4690 1.4690 1.4931 1.4931 5.4414 5.4414 7.6309 7.6309 7.8733 7.8733 9.1984 9.1984 9.2298 9.2298 k = 0.0806 0.0595-0.0000 ( 5361 PWs) bands (ev): -12.3871 -12.3871 -11.7425 -11.7425 -11.7404 -11.7404 -11.7119 -11.7119 -3.7640 -3.7640 -3.6817 -3.6817 -3.5362 -3.5362 -3.4956 -3.4956 -3.3406 -3.3406 -3.2776 -3.2776 -3.2025 -3.2025 -3.0929 -3.0929 -3.0369 -3.0369 -3.0116 -3.0116 -2.5670 -2.5670 -1.2960 -1.2960 -0.5977 -0.5977 -0.5847 -0.5847 -0.3201 -0.3201 -0.2876 -0.2876 0.1473 0.1473 0.4604 0.4604 0.5012 0.5012 1.3702 1.3702 1.4615 1.4615 1.4755 1.4755 5.4695 5.4695 7.6229 7.6229 7.8905 7.8905 9.1428 9.1428 9.1722 9.1722 k = 0.0968 0.0714-0.0000 ( 5353 PWs) bands (ev): -12.3826 -12.3826 -11.7426 -11.7426 -11.7405 -11.7405 -11.7171 -11.7171 -3.7641 -3.7641 -3.6810 -3.6810 -3.5372 -3.5372 -3.4986 -3.4986 -3.3399 -3.3399 -3.2818 -3.2818 -3.2032 -3.2032 -3.1026 -3.1026 -3.0370 -3.0370 -3.0159 -3.0159 -2.5466 -2.5466 -1.3089 -1.3089 -0.5876 -0.5876 -0.5746 -0.5746 -0.3121 -0.3121 -0.2725 -0.2725 0.1516 0.1516 0.4643 0.4643 0.5051 0.5051 1.3576 1.3576 1.4513 1.4513 1.4563 1.4563 5.5032 5.5032 7.6136 7.6136 7.9108 7.9108 9.0795 9.0795 9.1068 9.1068 k = 0.1129 0.0833-0.0000 ( 5345 PWs) bands (ev): -12.3772 -12.3772 -11.7427 -11.7427 -11.7406 -11.7406 -11.7233 -11.7233 -3.7641 -3.7641 -3.6801 -3.6801 -3.5385 -3.5385 -3.5020 -3.5020 -3.3392 -3.3392 -3.2864 -3.2864 -3.2043 -3.2043 -3.1130 -3.1130 -3.0382 -3.0382 -3.0193 -3.0193 -2.5241 -2.5241 -1.3235 -1.3235 -0.5759 -0.5759 -0.5629 -0.5629 -0.3031 -0.3031 -0.2549 -0.2549 0.1565 0.1565 0.4687 0.4687 0.5096 0.5096 1.3418 1.3418 1.4318 1.4318 1.4432 1.4432 5.5421 5.5421 7.6030 7.6030 7.9341 7.9341 9.0101 9.0101 9.0355 9.0355 k = 0.1290 0.0952-0.0000 ( 5353 PWs) bands (ev): -12.3711 -12.3711 -11.7429 -11.7429 -11.7408 -11.7408 -11.7303 -11.7303 -3.7642 -3.7642 -3.6792 -3.6792 -3.5402 -3.5402 -3.5059 -3.5059 -3.3385 -3.3385 -3.2913 -3.2913 -3.2058 -3.2058 -3.1240 -3.1240 -3.0405 -3.0405 -3.0215 -3.0215 -2.4999 -2.4999 -1.3396 -1.3396 -0.5626 -0.5626 -0.5496 -0.5496 -0.2932 -0.2932 -0.2353 -0.2353 0.1621 0.1621 0.4738 0.4738 0.5148 0.5148 1.3219 1.3219 1.4089 1.4089 1.4312 1.4312 5.5859 5.5859 7.5912 7.5912 7.9602 7.9602 8.9363 8.9363 8.9598 8.9598 k = 0.1452 0.1071-0.0000 ( 5361 PWs) bands (ev): -12.3642 -12.3642 -11.7432 -11.7432 -11.7410 -11.7410 -11.7380 -11.7380 -3.7642 -3.7642 -3.6783 -3.6783 -3.5421 -3.5421 -3.5100 -3.5100 -3.3380 -3.3380 -3.2964 -3.2964 -3.2079 -3.2079 -3.1350 -3.1350 -3.0436 -3.0436 -3.0227 -3.0227 -2.4743 -2.4743 -1.3571 -1.3571 -0.5477 -0.5477 -0.5348 -0.5348 -0.2821 -0.2821 -0.2141 -0.2141 0.1684 0.1684 0.4794 0.4794 0.5206 0.5206 1.2974 1.2974 1.3862 1.3862 1.4179 1.4179 5.6340 5.6340 7.5782 7.5782 7.9890 7.9890 8.8595 8.8595 8.8813 8.8813 k = 0.1613 0.1190-0.0000 ( 5357 PWs) bands (ev): -12.3565 -12.3565 -11.7472 -11.7472 -11.7429 -11.7429 -11.7412 -11.7412 -3.7642 -3.7642 -3.6772 -3.6772 -3.5445 -3.5445 -3.5143 -3.5143 -3.3376 -3.3376 -3.3015 -3.3015 -3.2106 -3.2106 -3.1458 -3.1458 -3.0472 -3.0472 -3.0233 -3.0233 -2.4477 -2.4477 -1.3756 -1.3756 -0.5315 -0.5315 -0.5187 -0.5187 -0.2699 -0.2699 -0.1915 -0.1915 0.1752 0.1752 0.4856 0.4856 0.5268 0.5268 1.2681 1.2681 1.3642 1.3642 1.4034 1.4034 5.6860 5.6860 7.5639 7.5639 8.0203 8.0203 8.7807 8.7807 8.8010 8.8010 k = 0.1774 0.1309-0.0000 ( 5361 PWs) bands (ev): -12.3481 -12.3481 -11.7566 -11.7566 -11.7432 -11.7432 -11.7414 -11.7414 -3.7641 -3.7641 -3.6761 -3.6761 -3.5473 -3.5473 -3.5187 -3.5187 -3.3374 -3.3374 -3.3066 -3.3066 -3.2140 -3.2140 -3.1561 -3.1561 -3.0508 -3.0508 -3.0236 -3.0236 -2.4202 -2.4202 -1.3951 -1.3951 -0.5141 -0.5141 -0.5014 -0.5014 -0.2566 -0.2566 -0.1679 -0.1679 0.1826 0.1826 0.4923 0.4923 0.5336 0.5336 1.2344 1.2344 1.3432 1.3432 1.3877 1.3877 5.7415 5.7415 7.5484 7.5484 8.0538 8.0538 8.7012 8.7012 8.7201 8.7201 k = 0.1935 0.1428-0.0000 ( 5369 PWs) bands (ev): -12.3390 -12.3390 -11.7669 -11.7669 -11.7434 -11.7434 -11.7417 -11.7417 -3.7639 -3.7639 -3.6750 -3.6750 -3.5507 -3.5507 -3.5230 -3.5230 -3.3374 -3.3374 -3.3114 -3.3114 -3.2183 -3.2183 -3.1657 -3.1657 -3.0543 -3.0543 -3.0238 -3.0238 -2.3922 -2.3922 -1.4154 -1.4154 -0.4955 -0.4955 -0.4830 -0.4830 -0.2422 -0.2422 -0.1436 -0.1436 0.1905 0.1905 0.4994 0.4994 0.5409 0.5409 1.1970 1.1970 1.3228 1.3228 1.3709 1.3709 5.7999 5.7999 7.5315 7.5315 8.0895 8.0895 8.6216 8.6216 8.6393 8.6393 k = 0.2097 0.1547-0.0000 ( 5365 PWs) bands (ev): -12.3292 -12.3292 -11.7780 -11.7780 -11.7436 -11.7436 -11.7419 -11.7419 -3.7637 -3.7637 -3.6739 -3.6739 -3.5547 -3.5547 -3.5272 -3.5272 -3.3376 -3.3376 -3.3159 -3.3159 -3.2234 -3.2234 -3.1745 -3.1745 -3.0574 -3.0574 -3.0239 -3.0239 -2.3636 -2.3636 -1.4363 -1.4363 -0.4759 -0.4759 -0.4636 -0.4636 -0.2267 -0.2267 -0.1188 -0.1188 0.1989 0.1989 0.5070 0.5070 0.5485 0.5485 1.1568 1.1568 1.3025 1.3025 1.3530 1.3530 5.8609 5.8609 7.5133 7.5133 8.1271 8.1271 8.5428 8.5428 8.5593 8.5593 k = 0.2258 0.1666-0.0000 ( 5357 PWs) bands (ev): -12.3186 -12.3186 -11.7898 -11.7898 -11.7438 -11.7438 -11.7422 -11.7422 -3.7632 -3.7632 -3.6729 -3.6729 -3.5592 -3.5592 -3.5312 -3.5312 -3.3380 -3.3380 -3.3198 -3.3198 -3.2294 -3.2294 -3.1825 -3.1825 -3.0601 -3.0601 -3.0241 -3.0241 -2.3348 -2.3348 -1.4577 -1.4577 -0.4556 -0.4556 -0.4435 -0.4435 -0.2101 -0.2101 -0.0939 -0.0939 0.2076 0.2076 0.5149 0.5149 0.5564 0.5564 1.1143 1.1143 1.2822 1.2822 1.3342 1.3342 5.9239 5.9239 7.4938 7.4938 8.1664 8.1664 8.4654 8.4654 8.4810 8.4810 k = 0.2419 0.1785-0.0000 ( 5349 PWs) bands (ev): -12.3074 -12.3074 -11.8024 -11.8024 -11.7440 -11.7440 -11.7425 -11.7425 -3.7627 -3.7627 -3.6721 -3.6721 -3.5641 -3.5641 -3.5349 -3.5349 -3.3387 -3.3387 -3.3231 -3.3231 -3.2361 -3.2361 -3.1898 -3.1898 -3.0624 -3.0624 -3.0243 -3.0243 -2.3057 -2.3057 -1.4796 -1.4796 -0.4346 -0.4346 -0.4228 -0.4228 -0.1924 -0.1924 -0.0691 -0.0691 0.2166 0.2166 0.5232 0.5232 0.5647 0.5647 1.0703 1.0703 1.2618 1.2618 1.3146 1.3146 5.9885 5.9885 7.4730 7.4730 8.2070 8.2070 8.3901 8.3901 8.4049 8.4049 k = 0.2581 0.1904-0.0000 ( 5353 PWs) bands (ev): -12.2956 -12.2956 -11.8155 -11.8155 -11.7442 -11.7442 -11.7427 -11.7427 -3.7621 -3.7621 -3.6715 -3.6715 -3.5694 -3.5694 -3.5385 -3.5385 -3.3397 -3.3397 -3.3257 -3.3257 -3.2434 -3.2434 -3.1966 -3.1966 -3.0642 -3.0642 -3.0247 -3.0247 -2.2766 -2.2766 -1.5018 -1.5018 -0.4131 -0.4131 -0.4016 -0.4016 -0.1737 -0.1737 -0.0445 -0.0445 0.2259 0.2259 0.5317 0.5317 0.5731 0.5731 1.0251 1.0251 1.2412 1.2412 1.2943 1.2943 6.0542 6.0542 7.4507 7.4507 8.2476 8.2476 8.3174 8.3174 8.3325 8.3325 k = 0.2742 0.2023-0.0000 ( 5353 PWs) bands (ev): -12.2831 -12.2831 -11.8293 -11.8293 -11.7444 -11.7444 -11.7430 -11.7430 -3.7612 -3.7612 -3.6712 -3.6712 -3.5748 -3.5748 -3.5419 -3.5419 -3.3409 -3.3409 -3.3274 -3.3274 -3.2509 -3.2509 -3.2031 -3.2031 -3.0654 -3.0654 -3.0252 -3.0252 -2.2474 -2.2474 -1.5243 -1.5243 -0.3913 -0.3913 -0.3802 -0.3802 -0.1539 -0.1539 -0.0204 -0.0204 0.2353 0.2353 0.5405 0.5405 0.5816 0.5816 0.9792 0.9792 1.2205 1.2205 1.2735 1.2735 6.1207 6.1207 7.4271 7.4271 8.2456 8.2456 8.2544 8.2544 8.2999 8.2999 k = 0.2903 0.2142-0.0000 ( 5329 PWs) bands (ev): -12.2701 -12.2701 -11.8436 -11.8436 -11.7445 -11.7445 -11.7432 -11.7432 -3.7602 -3.7602 -3.6713 -3.6713 -3.5799 -3.5799 -3.5451 -3.5451 -3.3422 -3.3422 -3.3284 -3.3284 -3.2586 -3.2586 -3.2094 -3.2094 -3.0661 -3.0661 -3.0258 -3.0258 -2.2183 -2.2183 -1.5471 -1.5471 -0.3695 -0.3695 -0.3588 -0.3588 -0.1331 -0.1331 0.0029 0.0029 0.2448 0.2448 0.5495 0.5495 0.5901 0.5901 0.9329 0.9329 1.1998 1.1998 1.2523 1.2523 6.1874 6.1874 7.4022 7.4022 8.1799 8.1799 8.1900 8.1900 8.3401 8.3401 k = 0.3065 0.2261-0.0000 ( 5329 PWs) bands (ev): -12.2564 -12.2564 -11.8585 -11.8585 -11.7447 -11.7447 -11.7435 -11.7435 -3.7589 -3.7589 -3.6721 -3.6721 -3.5847 -3.5847 -3.5483 -3.5483 -3.3435 -3.3435 -3.3288 -3.3288 -3.2662 -3.2662 -3.2158 -3.2158 -3.0663 -3.0663 -3.0265 -3.0265 -2.1893 -2.1893 -1.5701 -1.5701 -0.3478 -0.3478 -0.3375 -0.3375 -0.1115 -0.1115 0.0253 0.0253 0.2544 0.2544 0.5586 0.5586 0.5986 0.5986 0.8865 0.8865 1.1792 1.1792 1.2309 1.2309 6.2540 6.2540 7.3759 7.3759 8.1169 8.1169 8.1266 8.1266 8.3844 8.3844 k = 0.3226 0.2380-0.0000 ( 5345 PWs) bands (ev): -12.2423 -12.2423 -11.8739 -11.8739 -11.7449 -11.7449 -11.7438 -11.7438 -3.7575 -3.7575 -3.6735 -3.6735 -3.5889 -3.5889 -3.5515 -3.5515 -3.3447 -3.3447 -3.3285 -3.3285 -3.2737 -3.2737 -3.2222 -3.2222 -3.0660 -3.0660 -3.0274 -3.0274 -2.1604 -2.1604 -1.5934 -1.5934 -0.3266 -0.3266 -0.3168 -0.3168 -0.0890 -0.0890 0.0465 0.0465 0.2640 0.2640 0.5678 0.5678 0.6068 0.6068 0.8403 0.8403 1.1589 1.1589 1.2094 1.2094 6.3202 6.3202 7.3482 7.3482 8.0579 8.0579 8.0669 8.0669 8.4295 8.4295 k = 0.3387 0.2499-0.0000 ( 5345 PWs) bands (ev): -12.2277 -12.2277 -11.8897 -11.8897 -11.7450 -11.7450 -11.7440 -11.7440 -3.7558 -3.7558 -3.6757 -3.6757 -3.5923 -3.5923 -3.5546 -3.5546 -3.3457 -3.3457 -3.3278 -3.3278 -3.2809 -3.2809 -3.2287 -3.2287 -3.0653 -3.0653 -3.0284 -3.0284 -2.1318 -2.1318 -1.6167 -1.6167 -0.3059 -0.3059 -0.2966 -0.2966 -0.0657 -0.0657 0.0664 0.0664 0.2736 0.2736 0.5770 0.5770 0.6145 0.6145 0.7948 0.7948 1.1392 1.1392 1.1881 1.1881 6.3855 6.3855 7.3192 7.3192 8.0031 8.0031 8.0114 8.0114 8.4748 8.4748 k = 0.3548 0.2618-0.0000 ( 5361 PWs) bands (ev): -12.2126 -12.2126 -11.9059 -11.9059 -11.7452 -11.7452 -11.7442 -11.7442 -3.7539 -3.7539 -3.6787 -3.6787 -3.5948 -3.5948 -3.5578 -3.5578 -3.3463 -3.3463 -3.3265 -3.3265 -3.2879 -3.2879 -3.2353 -3.2353 -3.0643 -3.0643 -3.0297 -3.0297 -2.1034 -2.1034 -1.6403 -1.6403 -0.2861 -0.2861 -0.2775 -0.2775 -0.0419 -0.0419 0.0848 0.0848 0.2832 0.2832 0.5863 0.5863 0.6214 0.6214 0.7503 0.7503 1.1203 1.1203 1.1671 1.1671 6.4497 6.4497 7.2888 7.2888 7.9528 7.9528 7.9603 7.9603 8.5202 8.5202 k = 0.3710 0.2737-0.0000 ( 5357 PWs) bands (ev): -12.1970 -12.1970 -11.9224 -11.9224 -11.7453 -11.7453 -11.7445 -11.7445 -3.7516 -3.7516 -3.6824 -3.6824 -3.5963 -3.5963 -3.5610 -3.5610 -3.3467 -3.3467 -3.3248 -3.3248 -3.2944 -3.2944 -3.2419 -3.2419 -3.0629 -3.0629 -3.0310 -3.0310 -2.0753 -2.0753 -1.6640 -1.6640 -0.2674 -0.2674 -0.2594 -0.2594 -0.0176 -0.0176 0.1015 0.1015 0.2928 0.2928 0.5954 0.5954 0.6264 0.6264 0.7080 0.7080 1.1026 1.1026 1.1468 1.1468 6.5126 6.5126 7.2570 7.2570 7.9073 7.9073 7.9139 7.9139 8.5654 8.5654 k = 0.3871 0.2856-0.0000 ( 5361 PWs) bands (ev): -12.1811 -12.1811 -11.9392 -11.9392 -11.7454 -11.7454 -11.7447 -11.7447 -3.7491 -3.7491 -3.6867 -3.6867 -3.5969 -3.5969 -3.5642 -3.5642 -3.3467 -3.3467 -3.3227 -3.3227 -3.3005 -3.3005 -3.2485 -3.2485 -3.0612 -3.0612 -3.0324 -3.0324 -2.0474 -2.0474 -1.6879 -1.6879 -0.2500 -0.2500 -0.2429 -0.2429 0.0069 0.0069 0.1162 0.1162 0.3027 0.3027 0.6043 0.6043 0.6256 0.6256 0.6722 0.6722 1.0862 1.0862 1.1273 1.1273 6.5738 6.5738 7.2237 7.2237 7.8667 7.8667 7.8725 7.8725 8.6102 8.6102 k = 0.4032 0.2975-0.0000 ( 5361 PWs) bands (ev): -12.1648 -12.1648 -11.9563 -11.9563 -11.7455 -11.7455 -11.7449 -11.7449 -3.7463 -3.7463 -3.6915 -3.6915 -3.5968 -3.5968 -3.5673 -3.5673 -3.3463 -3.3463 -3.3206 -3.3206 -3.3057 -3.3057 -3.2550 -3.2550 -3.0594 -3.0594 -3.0340 -3.0340 -2.0199 -2.0199 -1.7120 -1.7120 -0.2343 -0.2343 -0.2280 -0.2280 0.0312 0.0312 0.1288 0.1288 0.3129 0.3129 0.6039 0.6039 0.6144 0.6144 0.6562 0.6562 1.0716 1.0716 1.1090 1.1090 6.6332 6.6332 7.1891 7.1891 7.8312 7.8312 7.8362 7.8362 8.6546 8.6546 k = 0.4194 0.3094-0.0000 ( 5373 PWs) bands (ev): -12.1482 -12.1482 -11.9737 -11.9737 -11.7456 -11.7456 -11.7450 -11.7450 -3.7432 -3.7432 -3.6967 -3.6967 -3.5960 -3.5960 -3.5705 -3.5705 -3.3456 -3.3456 -3.3195 -3.3195 -3.3091 -3.3091 -3.2616 -3.2616 -3.0573 -3.0573 -3.0358 -3.0358 -1.9926 -1.9926 -1.7363 -1.7363 -0.2204 -0.2204 -0.2150 -0.2150 0.0549 0.0549 0.1389 0.1389 0.3239 0.3239 0.5699 0.5699 0.6221 0.6221 0.6553 0.6553 1.0592 1.0592 1.0920 1.0920 6.6907 6.6907 7.1529 7.1529 7.8010 7.8010 7.8052 7.8052 8.6984 8.6984 k = 0.4355 0.3213-0.0000 ( 5353 PWs) bands (ev): -12.1313 -12.1313 -11.9911 -11.9911 -11.7456 -11.7456 -11.7452 -11.7452 -3.7396 -3.7396 -3.7019 -3.7019 -3.5946 -3.5946 -3.5736 -3.5736 -3.3444 -3.3444 -3.3212 -3.3212 -3.3087 -3.3087 -3.2679 -3.2679 -3.0551 -3.0551 -3.0376 -3.0376 -1.9657 -1.9657 -1.7608 -1.7608 -0.2085 -0.2085 -0.2041 -0.2041 0.0775 0.0775 0.1463 0.1463 0.3361 0.3361 0.5333 0.5333 0.6300 0.6300 0.6569 0.6569 1.0492 1.0492 1.0768 1.0768 6.7461 6.7461 7.1151 7.1151 7.7762 7.7762 7.7795 7.7795 8.7417 8.7417 k = 0.4516 0.3332-0.0000 ( 5354 PWs) bands (ev): -12.1141 -12.1141 -12.0087 -12.0087 -11.7456 -11.7456 -11.7453 -11.7453 -3.7358 -3.7358 -3.7073 -3.7073 -3.5927 -3.5927 -3.5767 -3.5767 -3.3428 -3.3428 -3.3248 -3.3248 -3.3056 -3.3056 -3.2742 -3.2742 -3.0529 -3.0529 -3.0396 -3.0396 -1.9391 -1.9391 -1.7855 -1.7855 -0.1990 -0.1990 -0.1956 -0.1956 0.0982 0.0982 0.1507 0.1507 0.3501 0.3501 0.4981 0.4981 0.6374 0.6374 0.6580 0.6580 1.0420 1.0420 1.0635 1.0635 6.7994 6.7994 7.0757 7.0757 7.7568 7.7568 7.7594 7.7594 8.7846 8.7846 k = 0.4677 0.3451-0.0000 ( 5354 PWs) bands (ev): -12.0968 -12.0968 -12.0264 -12.0264 -11.7456 -11.7456 -11.7454 -11.7454 -3.7317 -3.7317 -3.7126 -3.7126 -3.5906 -3.5906 -3.5797 -3.5797 -3.3408 -3.3408 -3.3286 -3.3286 -3.3015 -3.3015 -3.2802 -3.2802 -3.0506 -3.0506 -3.0416 -3.0416 -1.9128 -1.9128 -1.8104 -1.8104 -0.1918 -0.1918 -0.1895 -0.1895 0.1163 0.1163 0.1516 0.1516 0.3665 0.3665 0.4653 0.4653 0.6439 0.6439 0.6580 0.6580 1.0379 1.0379 1.0527 1.0527 6.8506 6.8506 7.0346 7.0346 7.7431 7.7431 7.7448 7.7448 8.8270 8.8270 k = 0.4839 0.3570-0.0000 ( 5342 PWs) bands (ev): -12.0793 -12.0793 -12.0441 -12.0441 -11.7456 -11.7456 -11.7455 -11.7455 -3.7273 -3.7273 -3.7177 -3.7177 -3.5881 -3.5881 -3.5826 -3.5826 -3.3383 -3.3383 -3.3322 -3.3322 -3.2967 -3.2967 -3.2860 -3.2860 -3.0483 -3.0483 -3.0438 -3.0438 -1.8867 -1.8867 -1.8356 -1.8356 -0.1873 -0.1873 -0.1861 -0.1861 0.1310 0.1310 0.1488 0.1488 0.3860 0.3860 0.4354 0.4354 0.6494 0.6494 0.6565 0.6565 1.0369 1.0369 1.0444 1.0444 6.8996 6.8996 6.9915 6.9915 7.7350 7.7350 7.7358 7.7358 8.8693 8.8693 k = 0.5000 0.3689-0.0000 ( 5334 PWs) bands (ev): -12.0617 -12.0617 -12.0617 -12.0617 -11.7456 -11.7456 -11.7456 -11.7456 -3.7226 -3.7226 -3.7226 -3.7226 -3.5854 -3.5854 -3.5854 -3.5854 -3.3354 -3.3354 -3.3354 -3.3354 -3.2915 -3.2915 -3.2915 -3.2915 -3.0460 -3.0460 -3.0460 -3.0460 -1.8610 -1.8610 -1.8610 -1.8610 -0.1853 -0.1853 -0.1853 -0.1853 0.1420 0.1420 0.1420 0.1420 0.4089 0.4089 0.4089 0.4089 0.6536 0.6536 0.6536 0.6536 1.0391 1.0391 1.0391 1.0391 6.9466 6.9466 6.9466 6.9466 7.7326 7.7326 7.7326 7.7326 8.9116 8.9116 k = 0.5000 0.3689-0.0000 ( 5334 PWs) bands (ev): -12.0617 -12.0617 -12.0617 -12.0617 -11.7456 -11.7456 -11.7456 -11.7456 -3.7226 -3.7226 -3.7226 -3.7226 -3.5854 -3.5854 -3.5854 -3.5854 -3.3354 -3.3354 -3.3354 -3.3354 -3.2915 -3.2915 -3.2915 -3.2915 -3.0460 -3.0460 -3.0460 -3.0460 -1.8610 -1.8610 -1.8610 -1.8610 -0.1853 -0.1853 -0.1853 -0.1853 0.1420 0.1420 0.1420 0.1420 0.4089 0.4089 0.4089 0.4089 0.6536 0.6536 0.6536 0.6536 1.0391 1.0391 1.0391 1.0391 6.9466 6.9466 6.9466 6.9466 7.7326 7.7326 7.7326 7.7326 8.9116 8.9116 k = 0.4917 0.3801 0.0139 ( 5341 PWs) bands (ev): -12.0616 -12.0616 -12.0615 -12.0615 -11.7460 -11.7460 -11.7456 -11.7455 -3.7249 -3.7233 -3.7219 -3.7201 -3.5896 -3.5871 -3.5838 -3.5811 -3.3390 -3.3378 -3.3332 -3.3324 -3.2953 -3.2927 -3.2897 -3.2872 -3.0471 -3.0468 -3.0452 -3.0449 -1.8621 -1.8613 -1.8607 -1.8598 -0.1879 -0.1873 -0.1854 -0.1842 0.1402 0.1410 0.1425 0.1432 0.4014 0.4047 0.4100 0.4117 0.6508 0.6519 0.6584 0.6612 1.0381 1.0388 1.0401 1.0401 6.9463 6.9471 6.9479 6.9482 7.7338 7.7341 7.7355 7.7355 8.9133 8.9137 k = 0.4835 0.3913 0.0279 ( 5341 PWs) bands (ev): -12.0612 -12.0611 -12.0609 -12.0608 -11.7472 -11.7472 -11.7455 -11.7453 -3.7269 -3.7240 -3.7212 -3.7173 -3.5936 -3.5889 -3.5821 -3.5766 -3.3430 -3.3402 -3.3311 -3.3298 -3.2988 -3.2931 -3.2873 -3.2825 -3.0484 -3.0477 -3.0445 -3.0439 -1.8640 -1.8618 -1.8599 -1.8575 -0.1921 -0.1915 -0.1873 -0.1842 0.1365 0.1382 0.1440 0.1453 0.3874 0.3941 0.4109 0.4136 0.6483 0.6499 0.6698 0.6755 1.0360 1.0373 1.0428 1.0428 6.9464 6.9479 6.9520 6.9525 7.7379 7.7384 7.7442 7.7442 8.9198 8.9203 k = 0.4752 0.4026 0.0418 ( 5353 PWs) bands (ev): -12.0604 -12.0603 -12.0598 -12.0597 -11.7492 -11.7492 -11.7454 -11.7451 -3.7287 -3.7247 -3.7204 -3.7143 -3.5974 -3.5907 -3.5806 -3.5719 -3.3476 -3.3427 -3.3292 -3.3274 -3.3019 -3.2928 -3.2846 -3.2772 -3.0497 -3.0487 -3.0438 -3.0429 -1.8667 -1.8633 -1.8580 -1.8541 -0.1982 -0.1979 -0.1905 -0.1854 0.1308 0.1334 0.1466 0.1485 0.3684 0.3777 0.4125 0.4161 0.6449 0.6468 0.6874 0.6952 1.0327 1.0347 1.0473 1.0473 6.9468 6.9490 6.9589 6.9596 7.7447 7.7455 7.7585 7.7586 8.9309 8.9314 k = 0.4669 0.4138 0.0557 ( 5355 PWs) bands (ev): -12.0594 -12.0593 -12.0583 -12.0581 -11.7520 -11.7520 -11.7452 -11.7448 -3.7303 -3.7254 -3.7196 -3.7111 -3.6011 -3.5924 -3.5791 -3.5671 -3.3525 -3.3452 -3.3272 -3.3252 -3.3048 -3.2919 -3.2815 -3.2715 -3.0511 -3.0497 -3.0432 -3.0419 -1.8703 -1.8657 -1.8549 -1.8498 -0.2065 -0.2064 -0.1948 -0.1876 0.1230 0.1265 0.1503 0.1528 0.3462 0.3574 0.4147 0.4194 0.6402 0.6426 0.7094 0.7185 1.0283 1.0311 1.0533 1.0534 6.9475 6.9505 6.9685 6.9695 7.7543 7.7553 7.7785 7.7785 8.9465 8.9468 k = 0.4586 0.4250 0.0696 ( 5359 PWs) bands (ev): -12.0581 -12.0579 -12.0564 -12.0562 -11.7556 -11.7556 -11.7449 -11.7444 -3.7316 -3.7260 -3.7188 -3.7076 -3.6046 -3.5942 -3.5776 -3.5622 -3.3576 -3.3477 -3.3253 -3.3230 -3.3074 -3.2904 -3.2783 -3.2655 -3.0526 -3.0508 -3.0427 -3.0410 -1.8747 -1.8691 -1.8509 -1.8444 -0.2170 -0.2169 -0.2000 -0.1908 0.1132 0.1175 0.1550 0.1581 0.3222 0.3350 0.4179 0.4236 0.6343 0.6373 0.7340 0.7439 1.0227 1.0263 1.0609 1.0609 6.9486 6.9523 6.9808 6.9820 7.7666 7.7679 7.8038 7.8039 8.9664 8.9666 k = 0.4504 0.4362 0.0836 ( 5367 PWs) bands (ev): -12.0566 -12.0563 -12.0541 -12.0538 -11.7600 -11.7599 -11.7445 -11.7439 -3.7327 -3.7267 -3.7180 -3.7039 -3.6078 -3.5960 -3.5763 -3.5571 -3.3629 -3.3501 -3.3235 -3.3207 -3.3097 -3.2885 -3.2749 -3.2592 -3.0543 -3.0519 -3.0422 -3.0401 -1.8800 -1.8733 -1.8459 -1.8382 -0.2295 -0.2295 -0.2059 -0.1949 0.1016 0.1066 0.1607 0.1642 0.2974 0.3117 0.4220 0.4287 0.6273 0.6308 0.7600 0.7704 1.0162 1.0206 1.0697 1.0698 6.9501 6.9546 6.9956 6.9971 7.7815 7.7830 7.8343 7.8345 8.9904 8.9907 k = 0.4421 0.4474 0.0975 ( 5367 PWs) bands (ev): -12.0548 -12.0545 -12.0513 -12.0510 -11.7650 -11.7650 -11.7441 -11.7434 -3.7335 -3.7274 -3.7172 -3.7001 -3.6108 -3.5976 -3.5749 -3.5520 -3.3683 -3.3523 -3.3219 -3.3183 -3.3115 -3.2863 -3.2713 -3.2526 -3.0560 -3.0530 -3.0418 -3.0391 -1.8862 -1.8785 -1.8400 -1.8312 -0.2440 -0.2438 -0.2123 -0.1998 0.0882 0.0939 0.1672 0.1711 0.2725 0.2882 0.4270 0.4349 0.6191 0.6232 0.7866 0.7973 1.0086 1.0140 1.0797 1.0798 6.9519 6.9572 7.0129 7.0147 7.7990 7.8008 7.8696 7.8700 9.0187 9.0190 k = 0.4338 0.4586 0.1114 ( 5359 PWs) bands (ev): -12.0527 -12.0524 -12.0481 -12.0477 -11.7707 -11.7707 -11.7436 -11.7428 -3.7342 -3.7281 -3.7163 -3.6961 -3.6137 -3.5991 -3.5735 -3.5467 -3.3736 -3.3545 -3.3210 -3.3158 -3.3123 -3.2839 -3.2676 -3.2459 -3.0578 -3.0541 -3.0413 -3.0382 -1.8932 -1.8846 -1.8333 -1.8234 -0.2603 -0.2599 -0.2191 -0.2053 0.0732 0.0797 0.1745 0.1784 0.2479 0.2653 0.4332 0.4421 0.6098 0.6145 0.8132 0.8240 1.0002 1.0066 1.0906 1.0907 6.9542 6.9602 7.0325 7.0346 7.8190 7.8211 7.9095 7.9101 9.0510 9.0516 k = 0.4256 0.4698 0.1254 ( 5355 PWs) bands (ev): -12.0505 -12.0501 -12.0445 -12.0441 -11.7771 -11.7771 -11.7431 -11.7422 -3.7346 -3.7288 -3.7154 -3.6920 -3.6163 -3.6005 -3.5721 -3.5414 -3.3789 -3.3564 -3.3213 -3.3130 -3.3116 -3.2814 -3.2638 -3.2390 -3.0598 -3.0553 -3.0410 -3.0372 -1.9011 -1.8916 -1.8259 -1.8149 -0.2784 -0.2775 -0.2261 -0.2113 0.0569 0.0640 0.1824 0.1855 0.2238 0.2437 0.4404 0.4505 0.5996 0.6050 0.8394 0.8501 0.9911 0.9987 1.1022 1.1023 6.9568 6.9635 7.0544 7.0567 7.8415 7.8439 7.9537 7.9547 9.0874 9.0883 k = 0.4173 0.4810 0.1393 ( 5363 PWs) bands (ev): -12.0481 -12.0477 -12.0406 -12.0401 -11.7841 -11.7841 -11.7425 -11.7415 -3.7349 -3.7296 -3.7145 -3.6878 -3.6187 -3.6017 -3.5707 -3.5360 -3.3840 -3.3583 -3.3226 -3.3101 -3.3097 -3.2788 -3.2599 -3.2321 -3.0618 -3.0564 -3.0406 -3.0362 -1.9098 -1.8996 -1.8180 -1.8059 -0.2980 -0.2965 -0.2333 -0.2175 0.0397 0.0474 0.1901 0.1905 0.2009 0.2259 0.4486 0.4600 0.5885 0.5946 0.8647 0.8751 0.9814 0.9905 1.1143 1.1144 6.9598 6.9672 7.0782 7.0809 7.8664 7.8690 8.0019 8.0033 9.1277 9.1290 k = 0.4090 0.4922 0.1532 ( 5361 PWs) bands (ev): -12.0457 -12.0452 -12.0362 -12.0357 -11.7916 -11.7916 -11.7418 -11.7407 -3.7350 -3.7305 -3.7136 -3.6837 -3.6209 -3.6025 -3.5693 -3.5306 -3.3890 -3.3599 -3.3243 -3.3071 -3.3070 -3.2762 -3.2559 -3.2251 -3.0640 -3.0575 -3.0403 -3.0352 -1.9195 -1.9085 -1.8095 -1.7965 -0.3190 -0.3170 -0.2405 -0.2239 0.0219 0.0300 0.1768 0.1845 0.2008 0.2193 0.4579 0.4707 0.5765 0.5835 0.8887 0.8983 0.9716 0.9826 1.1267 1.1267 6.9630 6.9710 7.1040 7.1069 7.8934 7.8963 8.0538 8.0557 9.1719 9.1736 k = 0.4008 0.5034 0.1672 ( 5355 PWs) bands (ev): -12.0431 -12.0426 -12.0315 -12.0310 -11.7996 -11.7995 -11.7410 -11.7399 -3.7350 -3.7313 -3.7127 -3.6798 -3.6229 -3.6030 -3.5678 -3.5252 -3.3936 -3.3612 -3.3262 -3.3041 -3.3036 -3.2736 -3.2517 -3.2181 -3.0663 -3.0587 -3.0400 -3.0342 -1.9300 -1.9185 -1.8006 -1.7867 -0.3413 -0.3386 -0.2474 -0.2303 0.0038 0.0124 0.1545 0.1681 0.2102 0.2244 0.4682 0.4827 0.5639 0.5720 0.9103 0.9181 0.9625 0.9765 1.1391 1.1391 6.9663 6.9750 7.1314 7.1347 7.9226 7.9258 8.1089 8.1114 9.2196 9.2220 k = 0.3925 0.5146 0.1811 ( 5355 PWs) bands (ev): -12.0405 -12.0400 -12.0265 -12.0259 -11.8079 -11.8078 -11.7402 -11.7390 -3.7348 -3.7323 -3.7118 -3.6760 -3.6247 -3.6030 -3.5663 -3.5198 -3.3980 -3.3624 -3.3282 -3.3008 -3.3001 -3.2710 -3.2474 -3.2111 -3.0686 -3.0598 -3.0396 -3.0331 -1.9413 -1.9293 -1.7915 -1.7767 -0.3647 -0.3614 -0.2540 -0.2364 -0.0142 -0.0051 0.1326 0.1490 0.2201 0.2331 0.4791 0.4959 0.5506 0.5603 0.9253 0.9307 0.9584 0.9761 1.1514 1.1514 6.9695 6.9789 7.1603 7.1639 7.9539 7.9573 8.1669 8.1701 9.2709 9.2740 k = 0.3842 0.5258 0.1950 ( 5355 PWs) bands (ev): -12.0381 -12.0375 -12.0211 -12.0204 -11.8165 -11.8164 -11.7394 -11.7380 -3.7346 -3.7333 -3.7110 -3.6727 -3.6262 -3.6023 -3.5646 -3.5145 -3.4020 -3.3633 -3.3301 -3.2973 -3.2965 -3.2684 -3.2430 -3.2041 -3.0711 -3.0609 -3.0392 -3.0320 -1.9535 -1.9412 -1.7823 -1.7666 -0.3892 -0.3851 -0.2600 -0.2421 -0.0318 -0.0222 0.1110 0.1292 0.2301 0.2428 0.4902 0.5102 0.5370 0.5492 0.9255 0.9321 0.9674 0.9855 1.1634 1.1634 6.9726 6.9825 7.1905 7.1944 7.9870 7.9907 8.2274 8.2314 9.3256 9.3294 k = 0.3759 0.5371 0.2089 ( 5361 PWs) bands (ev): -12.0358 -12.0352 -12.0153 -12.0147 -11.8253 -11.8252 -11.7385 -11.7371 -3.7349 -3.7337 -3.7101 -3.6698 -3.6276 -3.6010 -3.5629 -3.5094 -3.4055 -3.3640 -3.3321 -3.2937 -3.2927 -3.2657 -3.2385 -3.1972 -3.0737 -3.0619 -3.0388 -3.0309 -1.9665 -1.9540 -1.7730 -1.7566 -0.4144 -0.4097 -0.2654 -0.2473 -0.0485 -0.0386 0.0898 0.1095 0.2402 0.2529 0.4996 0.5228 0.5260 0.5406 0.9170 0.9265 0.9836 1.0004 1.1749 1.1749 6.9754 6.9858 7.2218 7.2261 8.0218 8.0258 8.2900 8.2949 9.3832 9.3881 k = 0.3677 0.5483 0.2229 ( 5359 PWs) bands (ev): -12.0338 -12.0332 -12.0093 -12.0086 -11.8341 -11.8339 -11.7375 -11.7361 -3.7360 -3.7332 -3.7093 -3.6676 -3.6288 -3.5988 -3.5610 -3.5045 -3.4085 -3.3644 -3.3341 -3.2902 -3.2888 -3.2629 -3.2338 -3.1904 -3.0763 -3.0629 -3.0384 -3.0298 -1.9803 -1.9677 -1.7638 -1.7467 -0.4404 -0.4351 -0.2700 -0.2517 -0.0643 -0.0540 0.0688 0.0900 0.2501 0.2629 0.5021 0.5090 0.5397 0.5425 0.9066 0.9186 1.0002 1.0163 1.1857 1.1858 6.9775 6.9884 7.2539 7.2586 8.0583 8.0625 8.3542 8.3601 9.4437 9.4498 k = 0.3594 0.5595 0.2368 ( 5355 PWs) bands (ev): -12.0323 -12.0317 -12.0030 -12.0022 -11.8427 -11.8425 -11.7366 -11.7350 -3.7373 -3.7326 -3.7084 -3.6659 -3.6298 -3.5957 -3.5589 -3.4999 -3.4108 -3.3646 -3.3360 -3.2867 -3.2849 -3.2600 -3.2291 -3.1837 -3.0789 -3.0638 -3.0379 -3.0286 -1.9949 -1.9823 -1.7548 -1.7370 -0.4669 -0.4610 -0.2736 -0.2552 -0.0789 -0.0682 0.0481 0.0706 0.2597 0.2726 0.4950 0.4955 0.5489 0.5602 0.8959 0.9103 1.0158 1.0314 1.1957 1.1959 6.9789 6.9902 7.2867 7.2917 8.0962 8.1007 8.4195 8.4265 9.5067 9.5140 k = 0.3511 0.5707 0.2507 ( 5359 PWs) bands (ev): -12.0314 -12.0308 -11.9963 -11.9956 -11.8509 -11.8507 -11.7355 -11.7339 -3.7387 -3.7319 -3.7077 -3.6650 -3.6306 -3.5918 -3.5567 -3.4958 -3.4123 -3.3645 -3.3380 -3.2836 -3.2809 -3.2567 -3.2241 -3.1771 -3.0816 -3.0646 -3.0372 -3.0274 -2.0102 -1.9977 -1.7461 -1.7276 -0.4938 -0.4874 -0.2763 -0.2579 -0.0921 -0.0811 0.0276 0.0514 0.2687 0.2818 0.4814 0.4851 0.5630 0.5789 0.8856 0.9024 1.0297 1.0452 1.2049 1.2051 6.9792 6.9909 7.3199 7.3253 8.1355 8.1402 8.4855 8.4936 9.5716 9.5805 k = 0.3429 0.5819 0.2647 ( 5363 PWs) bands (ev): -12.0314 -12.0308 -11.9895 -11.9887 -11.8585 -11.8583 -11.7345 -11.7328 -3.7402 -3.7311 -3.7069 -3.6646 -3.6313 -3.5871 -3.5543 -3.4922 -3.4130 -3.3642 -3.3400 -3.2808 -3.2769 -3.2530 -3.2191 -3.1708 -3.0844 -3.0654 -3.0365 -3.0262 -2.0261 -2.0140 -1.7378 -1.7187 -0.5210 -0.5140 -0.2779 -0.2595 -0.1039 -0.0926 0.0073 0.0325 0.2770 0.2903 0.4683 0.4739 0.5791 0.5986 0.8760 0.8954 1.0419 1.0573 1.2130 1.2132 6.9783 6.9902 7.3533 7.3590 8.1760 8.1809 8.5515 8.5609 9.6381 9.6486 k = 0.3346 0.5931 0.2786 ( 5363 PWs) bands (ev): -12.0324 -12.0318 -11.9824 -11.9816 -11.8653 -11.8650 -11.7334 -11.7316 -3.7418 -3.7302 -3.7061 -3.6648 -3.6317 -3.5817 -3.5518 -3.4892 -3.4126 -3.3637 -3.3420 -3.2784 -3.2729 -3.2489 -3.2139 -3.1646 -3.0870 -3.0661 -3.0356 -3.0250 -2.0427 -2.0311 -1.7299 -1.7102 -0.5482 -0.5408 -0.2783 -0.2600 -0.1142 -0.1027 -0.0127 0.0138 0.2843 0.2977 0.4560 0.4629 0.5963 0.6189 0.8675 0.8897 1.0522 1.0675 1.2201 1.2204 6.9757 6.9879 7.3866 7.3927 8.2175 8.2226 8.6170 8.6277 9.7053 9.7178 k = 0.3263 0.6043 0.2925 ( 5367 PWs) bands (ev): -12.0346 -12.0342 -11.9751 -11.9742 -11.8711 -11.8707 -11.7323 -11.7305 -3.7435 -3.7292 -3.7054 -3.6655 -3.6320 -3.5757 -3.5491 -3.4868 -3.4113 -3.3630 -3.3440 -3.2766 -3.2690 -3.2444 -3.2086 -3.1586 -3.0896 -3.0666 -3.0345 -3.0238 -2.0599 -2.0489 -1.7225 -1.7022 -0.5754 -0.5676 -0.2776 -0.2593 -0.1231 -0.1114 -0.0325 -0.0047 0.2903 0.3040 0.4448 0.4527 0.6142 0.6399 0.8605 0.8856 1.0604 1.0758 1.2260 1.2263 6.9713 6.9837 7.4197 7.4261 8.2600 8.2654 8.6814 8.6934 9.7724 9.7871 k = 0.3181 0.6155 0.3065 ( 5361 PWs) bands (ev): -12.0384 -12.0379 -11.9675 -11.9667 -11.8755 -11.8751 -11.7311 -11.7293 -3.7453 -3.7281 -3.7047 -3.6665 -3.6321 -3.5692 -3.5462 -3.4851 -3.4090 -3.3620 -3.3459 -3.2753 -3.2653 -3.2393 -3.2032 -3.1529 -3.0921 -3.0670 -3.0332 -3.0226 -2.0775 -2.0674 -1.7156 -1.6948 -0.6024 -0.5943 -0.2757 -0.2576 -0.1307 -0.1189 -0.0520 -0.0228 0.2950 0.3089 0.4350 0.4438 0.6324 0.6614 0.8552 0.8835 1.0667 1.0821 1.2307 1.2312 6.9649 6.9773 7.4522 7.4591 8.3034 8.3089 8.7439 8.7574 9.8382 9.8556 k = 0.3181 0.6155 0.3065 ( 5361 PWs) bands (ev): -12.0384 -12.0379 -11.9675 -11.9667 -11.8755 -11.8751 -11.7311 -11.7293 -3.7453 -3.7281 -3.7047 -3.6665 -3.6321 -3.5692 -3.5462 -3.4851 -3.4090 -3.3620 -3.3459 -3.2753 -3.2653 -3.2393 -3.2032 -3.1529 -3.0921 -3.0670 -3.0332 -3.0226 -2.0775 -2.0674 -1.7156 -1.6948 -0.6024 -0.5943 -0.2757 -0.2576 -0.1307 -0.1189 -0.0520 -0.0228 0.2950 0.3089 0.4350 0.4438 0.6324 0.6614 0.8552 0.8835 1.0667 1.0821 1.2307 1.2312 6.9649 6.9773 7.4522 7.4591 8.3034 8.3089 8.7439 8.7574 9.8382 9.8556 k = 0.3004 0.6104 0.3128 ( 5369 PWs) bands (ev): -12.0415 -12.0411 -11.9635 -11.9626 -11.8766 -11.8761 -11.7307 -11.7288 -3.7461 -3.7279 -3.7041 -3.6668 -3.6322 -3.5678 -3.5433 -3.4845 -3.4077 -3.3616 -3.3467 -3.2753 -3.2636 -3.2370 -3.2000 -3.1502 -3.0933 -3.0671 -3.0326 -3.0221 -2.0870 -2.0773 -1.7117 -1.6908 -0.6164 -0.6081 -0.2767 -0.2581 -0.1320 -0.1188 -0.0590 -0.0291 0.2952 0.3096 0.4302 0.4404 0.6411 0.6714 0.8544 0.8839 1.0668 1.0817 1.2343 1.2345 6.9601 6.9724 7.4674 7.4743 8.3248 8.3304 8.7729 8.7870 9.8465 9.8572 k = 0.2827 0.6053 0.3192 ( 5369 PWs) bands (ev): -12.0463 -12.0459 -11.9590 -11.9581 -11.8763 -11.8756 -11.7304 -11.7285 -3.7468 -3.7282 -3.7029 -3.6667 -3.6325 -3.5691 -3.5376 -3.4838 -3.4062 -3.3611 -3.3472 -3.2760 -3.2617 -3.2346 -3.1952 -3.1472 -3.0946 -3.0667 -3.0319 -3.0214 -2.0987 -2.0893 -1.7062 -1.6853 -0.6335 -0.6252 -0.2813 -0.2616 -0.1295 -0.1132 -0.0626 -0.0318 0.2923 0.3082 0.4252 0.4378 0.6504 0.6818 0.8557 0.8859 1.0632 1.0767 1.2398 1.2407 6.9533 6.9653 7.4830 7.4899 8.3489 8.3545 8.8037 8.8185 9.8427 9.8540 k = 0.2650 0.6001 0.3256 ( 5364 PWs) bands (ev): -12.0518 -12.0514 -11.9552 -11.9543 -11.8743 -11.8734 -11.7303 -11.7284 -3.7476 -3.7288 -3.7013 -3.6661 -3.6329 -3.5719 -3.5307 -3.4831 -3.4047 -3.3607 -3.3472 -3.2774 -3.2597 -3.2323 -3.1891 -3.1439 -3.0958 -3.0661 -3.0314 -3.0205 -2.1122 -2.1032 -1.6993 -1.6787 -0.6533 -0.6451 -0.2885 -0.2677 -0.1236 -0.1042 -0.0626 -0.0311 0.2866 0.3046 0.4205 0.4357 0.6604 0.6925 0.8589 0.8892 1.0568 1.0685 1.2460 1.2481 6.9450 6.9566 7.4986 7.5055 8.3753 8.3809 8.8362 8.8517 9.8360 9.8486 k = 0.2474 0.5950 0.3319 ( 5362 PWs) bands (ev): -12.0578 -12.0574 -11.9525 -11.9516 -11.8706 -11.8695 -11.7305 -11.7286 -3.7482 -3.7297 -3.6994 -3.6651 -3.6335 -3.5753 -3.5232 -3.4823 -3.4032 -3.3605 -3.3468 -3.2792 -3.2576 -3.2302 -3.1821 -3.1403 -3.0970 -3.0650 -3.0311 -3.0194 -2.1273 -2.1185 -1.6914 -1.6712 -0.6751 -0.6670 -0.2970 -0.2755 -0.1154 -0.0936 -0.0594 -0.0274 0.2789 0.2991 0.4165 0.4338 0.6709 0.7035 0.8639 0.8937 1.0486 1.0582 1.2519 1.2554 6.9360 6.9471 7.5139 7.5206 8.4039 8.4093 8.8701 8.8864 9.8267 9.8409 k = 0.2297 0.5899 0.3383 ( 5363 PWs) bands (ev): -12.0637 -12.0633 -11.9511 -11.9502 -11.8653 -11.8640 -11.7309 -11.7290 -3.7487 -3.7308 -3.6973 -3.6638 -3.6344 -3.5791 -3.5158 -3.4815 -3.4018 -3.3605 -3.3459 -3.2815 -3.2554 -3.2281 -3.1744 -3.1365 -3.0981 -3.0636 -3.0311 -3.0179 -2.1434 -2.1349 -1.6828 -1.6631 -0.6983 -0.6904 -0.3062 -0.2845 -0.1059 -0.0826 -0.0529 -0.0211 0.2698 0.2921 0.4129 0.4319 0.6819 0.7147 0.8705 0.8989 1.0394 1.0471 1.2569 1.2616 6.9265 6.9370 7.5287 7.5352 8.4341 8.4394 8.9055 8.9224 9.8146 9.8308 k = 0.2120 0.5848 0.3447 ( 5357 PWs) bands (ev): -12.0695 -12.0692 -11.9507 -11.9499 -11.8587 -11.8573 -11.7316 -11.7296 -3.7491 -3.7320 -3.6951 -3.6622 -3.6353 -3.5831 -3.5085 -3.4806 -3.4004 -3.3605 -3.3444 -3.2840 -3.2531 -3.2261 -3.1664 -3.1325 -3.0990 -3.0616 -3.0314 -3.0161 -2.1602 -2.1521 -1.6736 -1.6548 -0.7222 -0.7145 -0.3155 -0.2940 -0.0961 -0.0721 -0.0434 -0.0125 0.2602 0.2843 0.4095 0.4296 0.6934 0.7260 0.8787 0.9047 1.0294 1.0363 1.2603 1.2663 6.9171 6.9269 7.5427 7.5489 8.4655 8.4708 8.9420 8.9597 9.7996 9.8179 k = 0.1944 0.5796 0.3510 ( 5361 PWs) bands (ev): -12.0751 -12.0748 -11.9511 -11.9504 -11.8512 -11.8497 -11.7326 -11.7306 -3.7495 -3.7333 -3.6927 -3.6604 -3.6365 -3.5871 -3.5016 -3.4796 -3.3991 -3.3607 -3.3426 -3.2867 -3.2508 -3.2244 -3.1586 -3.1283 -3.0997 -3.0591 -3.0322 -3.0140 -2.1774 -2.1697 -1.6643 -1.6463 -0.7461 -0.7388 -0.3247 -0.3037 -0.0868 -0.0629 -0.0314 -0.0019 0.2507 0.2763 0.4057 0.4267 0.7053 0.7372 0.8882 0.9106 1.0184 1.0272 1.2618 1.2689 6.9079 6.9170 7.5560 7.5619 8.4979 8.5029 8.9797 8.9981 9.7816 9.8020 k = 0.1767 0.5745 0.3574 ( 5371 PWs) bands (ev): -12.0803 -12.0800 -11.9521 -11.9515 -11.8432 -11.8416 -11.7338 -11.7318 -3.7497 -3.7346 -3.6903 -3.6584 -3.6378 -3.5912 -3.4953 -3.4785 -3.3979 -3.3610 -3.3405 -3.2895 -3.2484 -3.2228 -3.1512 -3.1239 -3.0999 -3.0559 -3.0333 -3.0116 -2.1945 -2.1873 -1.6550 -1.6380 -0.7695 -0.7626 -0.3335 -0.3134 -0.0784 -0.0550 -0.0174 0.0104 0.2417 0.2685 0.4015 0.4229 0.7174 0.7482 0.8989 0.9160 1.0069 1.0207 1.2611 1.2693 6.8991 6.9075 7.5683 7.5738 8.5305 8.5353 9.0183 9.0375 9.7605 9.7829 k = 0.1590 0.5694 0.3638 ( 5357 PWs) bands (ev): -12.0852 -12.0849 -11.9534 -11.9528 -11.8350 -11.8333 -11.7354 -11.7334 -3.7497 -3.7358 -3.6878 -3.6564 -3.6391 -3.5952 -3.4897 -3.4773 -3.3965 -3.3614 -3.3382 -3.2924 -3.2459 -3.2215 -3.1445 -3.1195 -3.0996 -3.0519 -3.0348 -3.0091 -2.2114 -2.2046 -1.6458 -1.6300 -0.7919 -0.7855 -0.3419 -0.3229 -0.0711 -0.0486 -0.0022 0.0242 0.2337 0.2615 0.3965 0.4182 0.7298 0.7589 0.9099 0.9207 0.9961 1.0173 1.2582 1.2674 6.8911 6.8987 7.5797 7.5848 8.5630 8.5675 9.0577 9.0777 9.7364 9.7607 k = 0.1414 0.5643 0.3701 ( 5355 PWs) bands (ev): -12.0896 -12.0894 -11.9549 -11.9543 -11.8267 -11.8250 -11.7373 -11.7353 -3.7496 -3.7370 -3.6852 -3.6545 -3.6404 -3.5993 -3.4849 -3.4759 -3.3950 -3.3619 -3.3357 -3.2952 -3.2435 -3.2204 -3.1388 -3.1154 -3.0984 -3.0474 -3.0365 -3.0065 -2.2276 -2.2214 -1.6370 -1.6225 -0.8129 -0.8070 -0.3496 -0.3320 -0.0649 -0.0438 0.0137 0.0388 0.2269 0.2554 0.3907 0.4124 0.7422 0.7690 0.9177 0.9260 0.9874 1.0176 1.2531 1.2632 6.8838 6.8906 7.5901 7.5948 8.5947 8.5989 9.0977 9.1185 9.7096 9.7354 k = 0.1237 0.5592 0.3765 ( 5348 PWs) bands (ev): -12.0936 -12.0933 -11.9563 -11.9559 -11.8186 -11.8168 -11.7396 -11.7375 -3.7495 -3.7382 -3.6825 -3.6529 -3.6414 -3.6032 -3.4811 -3.4743 -3.3932 -3.3626 -3.3332 -3.2980 -3.2410 -3.2198 -3.1340 -3.1124 -3.0960 -3.0428 -3.0378 -3.0040 -2.2428 -2.2372 -1.6287 -1.6156 -0.8322 -0.8268 -0.3566 -0.3405 -0.0598 -0.0405 0.0298 0.0537 0.2215 0.2503 0.3842 0.4057 0.7545 0.7786 0.9186 0.9325 0.9836 1.0219 1.2458 1.2569 6.8773 6.8833 7.5994 7.6036 8.6250 8.6289 9.1382 9.1598 9.6804 9.7074 k = 0.1060 0.5540 0.3829 ( 5355 PWs) bands (ev): -12.0970 -12.0969 -11.9577 -11.9573 -11.8107 -11.8089 -11.7422 -11.7402 -3.7492 -3.7394 -3.6798 -3.6521 -3.6417 -3.6071 -3.4782 -3.4726 -3.3912 -3.3636 -3.3306 -3.3008 -3.2385 -3.2195 -3.1300 -3.1108 -3.0922 -3.0424 -3.0348 -3.0017 -2.2567 -2.2518 -1.6210 -1.6095 -0.8493 -0.8446 -0.3627 -0.3485 -0.0555 -0.0384 0.0456 0.0683 0.2175 0.2463 0.3772 0.3981 0.7665 0.7876 0.9161 0.9333 0.9884 1.0298 1.2367 1.2486 6.8717 6.8769 7.6077 7.6114 8.6533 8.6568 9.1789 9.2013 9.6489 9.6768 k = 0.0883 0.5489 0.3892 ( 5358 PWs) bands (ev): -12.1000 -12.0998 -11.9590 -11.9587 -11.8031 -11.8013 -11.7451 -11.7431 -3.7488 -3.7406 -3.6770 -3.6525 -3.6408 -3.6109 -3.4761 -3.4711 -3.3889 -3.3648 -3.3280 -3.3035 -3.2361 -3.2196 -3.1265 -3.1102 -3.0875 -3.0449 -3.0289 -2.9999 -2.2690 -2.2648 -1.6141 -1.6043 -0.8641 -0.8601 -0.3678 -0.3557 -0.0519 -0.0374 0.0606 0.0817 0.2151 0.2431 0.3701 0.3898 0.7781 0.7958 0.9118 0.9280 1.0009 1.0401 1.2260 1.2386 6.8671 6.8714 7.6148 7.6179 8.6789 8.6820 9.2196 9.2428 9.6157 9.6441 k = 0.0707 0.5438 0.3956 ( 5356 PWs) bands (ev): -12.1024 -12.1023 -11.9601 -11.9598 -11.7959 -11.7941 -11.7484 -11.7464 -3.7483 -3.7417 -3.6743 -3.6538 -3.6390 -3.6146 -3.4743 -3.4699 -3.3863 -3.3663 -3.3255 -3.3061 -3.2337 -3.2201 -3.1235 -3.1103 -3.0826 -3.0480 -3.0227 -2.9987 -2.2795 -2.2761 -1.6081 -1.6001 -0.8764 -0.8731 -0.3720 -0.3620 -0.0490 -0.0372 0.0744 0.0933 0.2144 0.2405 0.3634 0.3812 0.7891 0.8032 0.9068 0.9203 1.0171 1.0517 1.2144 1.2273 6.8633 6.8668 7.6208 7.6233 8.7012 8.7037 9.2602 9.2841 9.5811 9.6096 k = 0.0530 0.5387 0.4020 ( 5351 PWs) bands (ev): -12.1044 -12.1043 -11.9610 -11.9607 -11.7893 -11.7876 -11.7519 -11.7500 -3.7477 -3.7427 -3.6715 -3.6558 -3.6367 -3.6181 -3.4728 -3.4692 -3.3836 -3.3681 -3.3230 -3.3086 -3.2314 -3.2209 -3.1209 -3.1109 -3.0776 -3.0514 -3.0167 -2.9982 -2.2879 -2.2852 -1.6031 -1.5970 -0.8860 -0.8835 -0.3750 -0.3673 -0.0466 -0.0376 0.0866 0.1023 0.2156 0.2381 0.3579 0.3728 0.7989 0.8095 0.9019 0.9121 1.0344 1.0631 1.2030 1.2154 6.8606 6.8632 7.6255 7.6274 8.7194 8.7213 9.3002 9.3246 9.5458 9.5739 k = 0.0353 0.5335 0.4083 ( 5361 PWs) bands (ev): -12.1057 -12.1057 -11.9616 -11.9614 -11.7834 -11.7818 -11.7554 -11.7538 -3.7471 -3.7438 -3.6687 -3.6581 -3.6340 -3.6216 -3.4716 -3.4690 -3.3807 -3.3702 -3.3206 -3.3111 -3.2292 -3.2221 -3.1186 -3.1119 -3.0727 -3.0551 -3.0112 -2.9987 -2.2939 -2.2921 -1.5992 -1.5951 -0.8929 -0.8912 -0.3768 -0.3716 -0.0445 -0.0384 0.0966 0.1080 0.2185 0.2353 0.3541 0.3651 0.8073 0.8143 0.8979 0.9047 1.0509 1.0723 1.1932 1.2037 6.8587 6.8605 7.6290 7.6303 8.7330 8.7343 9.3393 9.3634 9.5109 9.5376 k = 0.0177 0.5284 0.4147 ( 5354 PWs) bands (ev): -12.1065 -12.1065 -11.9619 -11.9619 -11.7787 -11.7776 -11.7583 -11.7572 -3.7463 -3.7447 -3.6659 -3.6606 -3.6311 -3.6249 -3.4705 -3.4691 -3.3779 -3.3725 -3.3182 -3.3135 -3.2272 -3.2236 -3.1165 -3.1131 -3.0680 -3.0592 -3.0066 -3.0003 -2.2974 -2.2965 -1.5964 -1.5943 -0.8968 -0.8960 -0.3773 -0.3747 -0.0426 -0.0396 0.1041 0.1101 0.2227 0.2317 0.3529 0.3588 0.8134 0.8169 0.8957 0.8991 1.0650 1.0767 1.1874 1.1937 6.8578 6.8587 7.6313 7.6319 8.7415 8.7421 9.3759 9.3963 9.4806 9.5023 k = 0.0000 0.5233 0.4211 ( 5352 PWs) bands (ev): -12.1068 -12.1068 -11.9620 -11.9620 -11.7763 -11.7763 -11.7591 -11.7591 -3.7456 -3.7456 -3.6632 -3.6632 -3.6280 -3.6280 -3.4696 -3.4696 -3.3751 -3.3751 -3.3159 -3.3159 -3.2253 -3.2253 -3.1146 -3.1146 -3.0634 -3.0634 -3.0029 -3.0029 -2.2982 -2.2982 -1.5947 -1.5947 -0.8979 -0.8979 -0.3767 -0.3767 -0.0410 -0.0410 0.1087 0.1087 0.2274 0.2274 0.3546 0.3546 0.8167 0.8167 0.8960 0.8960 1.0743 1.0743 1.1876 1.1876 6.8578 6.8578 7.6322 7.6322 8.7446 8.7446 9.4031 9.4031 9.4751 9.4751 k = 0.0000 0.5233 0.4211 ( 5352 PWs) bands (ev): -12.1068 -12.1068 -11.9620 -11.9620 -11.7763 -11.7763 -11.7591 -11.7591 -3.7456 -3.7456 -3.6632 -3.6632 -3.6280 -3.6280 -3.4696 -3.4696 -3.3751 -3.3751 -3.3159 -3.3159 -3.2253 -3.2253 -3.1146 -3.1146 -3.0634 -3.0634 -3.0029 -3.0029 -2.2982 -2.2982 -1.5947 -1.5947 -0.8979 -0.8979 -0.3767 -0.3767 -0.0410 -0.0410 0.1087 0.1087 0.2274 0.2274 0.3546 0.3546 0.8167 0.8167 0.8960 0.8960 1.0743 1.0743 1.1876 1.1876 6.8578 6.8578 7.6322 7.6322 8.7446 8.7446 9.4031 9.4031 9.4751 9.4751 k = 0.0083 0.5120 0.4351 ( 5354 PWs) bands (ev): -12.1066 -12.1066 -11.9619 -11.9619 -11.7765 -11.7764 -11.7593 -11.7592 -3.7457 -3.7454 -3.6652 -3.6611 -3.6299 -3.6261 -3.4700 -3.4693 -3.3754 -3.3747 -3.3177 -3.3140 -3.2258 -3.2246 -3.1159 -3.1136 -3.0657 -3.0611 -3.0033 -3.0023 -2.2998 -2.2979 -1.5971 -1.5969 -0.8983 -0.8975 -0.3769 -0.3764 -0.0435 -0.0389 0.1033 0.1049 0.2277 0.2319 0.3592 0.3604 0.8173 0.8174 0.8963 0.8967 1.0732 1.0750 1.1872 1.1880 6.8564 6.8573 7.6297 7.6305 8.7457 8.7470 9.4044 9.4045 9.4750 9.4757 k = 0.0167 0.5007 0.4491 ( 5362 PWs) bands (ev): -12.1059 -12.1059 -11.9616 -11.9615 -11.7770 -11.7770 -11.7597 -11.7596 -3.7457 -3.7451 -3.6671 -3.6589 -3.6315 -3.6240 -3.4703 -3.4691 -3.3754 -3.3742 -3.3193 -3.3120 -3.2263 -3.2239 -3.1173 -3.1129 -3.0679 -3.0587 -3.0038 -3.0017 -2.3025 -2.2987 -1.6039 -1.6035 -0.8988 -0.8972 -0.3771 -0.3762 -0.0460 -0.0372 0.0900 0.0928 0.2330 0.2406 0.3732 0.3755 0.8190 0.8192 0.8976 0.8984 1.0719 1.0756 1.1866 1.1883 6.8533 6.8551 7.6232 7.6248 8.7503 8.7529 9.4083 9.4085 9.4754 9.4769 k = 0.0250 0.4894 0.4632 ( 5360 PWs) bands (ev): -12.1048 -12.1048 -11.9610 -11.9609 -11.7780 -11.7779 -11.7603 -11.7601 -3.7457 -3.7448 -3.6689 -3.6566 -3.6330 -3.6217 -3.4706 -3.4689 -3.3754 -3.3735 -3.3209 -3.3099 -3.2267 -3.2232 -3.1190 -3.1122 -3.0699 -3.0563 -3.0041 -3.0010 -2.3064 -2.3006 -1.6149 -1.6144 -0.8996 -0.8973 -0.3779 -0.3765 -0.0479 -0.0353 0.0720 0.0758 0.2429 0.2532 0.3936 0.3970 0.8219 0.8221 0.8999 0.9011 1.0704 1.0760 1.1860 1.1885 6.8485 6.8511 7.6126 7.6150 8.7584 8.7623 9.4148 9.4152 9.4765 9.4787 k = 0.0333 0.4781 0.4772 ( 5354 PWs) bands (ev): -12.1033 -12.1033 -11.9602 -11.9601 -11.7793 -11.7792 -11.7611 -11.7609 -3.7456 -3.7443 -3.6706 -3.6541 -3.6343 -3.6193 -3.4709 -3.4687 -3.3752 -3.3726 -3.3223 -3.3077 -3.2270 -3.2223 -3.1210 -3.1118 -3.0716 -3.0539 -3.0044 -3.0002 -2.3113 -2.3036 -1.6298 -1.6292 -0.9009 -0.8980 -0.3797 -0.3779 -0.0488 -0.0329 0.0524 0.0570 0.2566 0.2690 0.4178 0.4222 0.8259 0.8262 0.9032 0.9049 1.0687 1.0763 1.1852 1.1887 6.8420 6.8456 7.5983 7.6014 8.7697 8.7750 9.4238 9.4245 9.4782 9.4810 k = 0.0417 0.4668 0.4912 ( 5352 PWs) bands (ev): -12.1014 -12.1014 -11.9592 -11.9590 -11.7810 -11.7809 -11.7621 -11.7619 -3.7454 -3.7438 -3.6723 -3.6515 -3.6355 -3.6168 -3.4712 -3.4685 -3.3749 -3.3716 -3.3236 -3.3054 -3.2271 -3.2214 -3.1232 -3.1115 -3.0732 -3.0516 -3.0047 -2.9993 -2.3171 -2.3076 -1.6481 -1.6475 -0.9030 -0.8996 -0.3836 -0.3813 -0.0479 -0.0293 0.0339 0.0392 0.2735 0.2873 0.4438 0.4493 0.8309 0.8313 0.9073 0.9095 1.0668 1.0765 1.1844 1.1888 6.8342 6.8386 7.5805 7.5843 8.7842 8.7909 9.4349 9.4361 9.4808 9.4840 k = 0.0500 0.4555 0.5053 ( 5352 PWs) bands (ev): -12.0990 -12.0990 -11.9580 -11.9578 -11.7831 -11.7829 -11.7634 -11.7631 -3.7451 -3.7432 -3.6739 -3.6488 -3.6365 -3.6142 -3.4714 -3.4684 -3.3745 -3.3705 -3.3248 -3.3030 -3.2272 -3.2205 -3.1258 -3.1113 -3.0746 -3.0494 -3.0050 -2.9984 -2.3237 -2.3123 -1.6694 -1.6688 -0.9063 -0.9025 -0.3903 -0.3876 -0.0447 -0.0241 0.0186 0.0247 0.2926 0.3075 0.4701 0.4770 0.8369 0.8373 0.9123 0.9151 1.0649 1.0767 1.1835 1.1889 6.8251 6.8303 7.5594 7.5640 8.8016 8.8097 9.4473 9.4497 9.4851 9.4880 k = 0.0583 0.4442 0.5193 ( 5360 PWs) bands (ev): -12.0962 -12.0962 -11.9565 -11.9563 -11.7855 -11.7853 -11.7649 -11.7646 -3.7448 -3.7426 -3.6756 -3.6460 -3.6373 -3.6115 -3.4716 -3.4684 -3.3740 -3.3693 -3.3259 -3.3006 -3.2271 -3.2195 -3.1285 -3.1114 -3.0757 -3.0473 -3.0052 -2.9974 -2.3309 -2.3177 -1.6933 -1.6927 -0.9110 -0.9069 -0.4010 -0.3978 -0.0390 -0.0170 0.0080 0.0152 0.3135 0.3291 0.4960 0.5042 0.8437 0.8443 0.9181 0.9215 1.0630 1.0771 1.1825 1.1889 6.8150 6.8209 7.5355 7.5407 8.8217 8.8313 9.4593 9.4639 9.4926 9.4942 k = 0.0667 0.4329 0.5334 ( 5358 PWs) bands (ev): -12.0931 -12.0930 -11.9548 -11.9546 -11.7882 -11.7880 -11.7666 -11.7663 -3.7444 -3.7419 -3.6772 -3.6431 -3.6379 -3.6087 -3.4717 -3.4684 -3.3735 -3.3678 -3.3269 -3.2981 -3.2269 -3.2185 -3.1316 -3.1115 -3.0766 -3.0454 -3.0055 -2.9964 -2.3386 -2.3236 -1.7192 -1.7187 -0.9171 -0.9128 -0.4160 -0.4124 -0.0306 -0.0083 0.0033 0.0124 0.3354 0.3515 0.5207 0.5305 0.8514 0.8520 0.9245 0.9286 1.0612 1.0777 1.1814 1.1889 6.8041 6.8108 7.5090 7.5148 8.8444 8.8554 9.4682 9.4757 9.5055 9.5060 k = 0.0750 0.4216 0.5474 ( 5368 PWs) bands (ev): -12.0895 -12.0895 -11.9530 -11.9527 -11.7912 -11.7911 -11.7686 -11.7681 -3.7439 -3.7412 -3.6788 -3.6400 -3.6383 -3.6058 -3.4719 -3.4686 -3.3729 -3.3663 -3.3277 -3.2956 -3.2266 -3.2175 -3.1348 -3.1118 -3.0772 -3.0438 -3.0059 -2.9953 -2.3466 -2.3299 -1.7468 -1.7465 -0.9246 -0.9203 -0.4357 -0.4316 -0.0195 0.0011 0.0048 0.0174 0.3580 0.3744 0.5438 0.5552 0.8597 0.8604 0.9314 0.9362 1.0599 1.0788 1.1802 1.1889 6.7926 6.8000 7.4802 7.4867 8.8695 8.8820 9.4737 9.4830 9.5239 9.5254 k = 0.0833 0.4103 0.5614 ( 5364 PWs) bands (ev): -12.0855 -12.0855 -11.9510 -11.9507 -11.7946 -11.7944 -11.7707 -11.7702 -3.7434 -3.7403 -3.6803 -3.6386 -3.6369 -3.6029 -3.4719 -3.4687 -3.3722 -3.3646 -3.3285 -3.2930 -3.2261 -3.2165 -3.1382 -3.1121 -3.0776 -3.0423 -3.0062 -2.9941 -2.3546 -2.3362 -1.7757 -1.7755 -0.9335 -0.9292 -0.4595 -0.4551 -0.0059 0.0118 0.0123 0.0294 0.3808 0.3973 0.5649 0.5781 0.8687 0.8694 0.9387 0.9441 1.0591 1.0805 1.1790 1.1889 6.7809 6.7890 7.4495 7.4566 8.8968 8.9108 9.4772 9.4876 9.5475 9.5493 k = 0.0917 0.3990 0.5755 ( 5364 PWs) bands (ev): -12.0812 -12.0812 -11.9488 -11.9485 -11.7983 -11.7980 -11.7730 -11.7725 -3.7427 -3.7394 -3.6819 -3.6387 -3.6336 -3.5998 -3.4720 -3.4689 -3.3716 -3.3628 -3.3291 -3.2904 -3.2255 -3.2155 -3.1418 -3.1127 -3.0778 -3.0412 -3.0067 -2.9930 -2.3625 -2.3426 -1.8056 -1.8055 -0.9435 -0.9394 -0.4868 -0.4820 0.0102 0.0250 0.0256 0.0459 0.4034 0.4199 0.5837 0.5989 0.8783 0.8789 0.9462 0.9519 1.0591 1.0828 1.1777 1.1889 6.7691 6.7779 7.4173 7.4249 8.9261 8.9416 9.4797 9.4909 9.5746 9.5765 k = 0.1000 0.3878 0.5895 ( 5364 PWs) bands (ev): -12.0766 -12.0765 -11.9465 -11.9462 -11.8022 -11.8019 -11.7756 -11.7750 -3.7420 -3.7385 -3.6835 -3.6386 -3.6303 -3.5968 -3.4720 -3.4692 -3.3711 -3.3608 -3.3295 -3.2879 -3.2246 -3.2145 -3.1455 -3.1133 -3.0777 -3.0403 -3.0072 -2.9918 -2.3701 -2.3487 -1.8362 -1.8359 -0.9544 -0.9505 -0.5169 -0.5118 0.0286 0.0420 0.0430 0.0652 0.4256 0.4418 0.6002 0.6173 0.8883 0.8889 0.9538 0.9593 1.0603 1.0860 1.1763 1.1889 6.7577 6.7670 7.3837 7.3918 8.9574 8.9745 9.4816 9.4935 9.6045 9.6065 k = 0.1083 0.3765 0.6035 ( 5364 PWs) bands (ev): -12.0715 -12.0715 -11.9442 -11.9438 -11.8063 -11.8060 -11.7783 -11.7777 -3.7413 -3.7376 -3.6852 -3.6384 -3.6269 -3.5937 -3.4720 -3.4695 -3.3706 -3.3586 -3.3299 -3.2853 -3.2237 -3.2135 -3.1493 -3.1141 -3.0775 -3.0397 -3.0078 -2.9906 -2.3772 -2.3545 -1.8673 -1.8666 -0.9659 -0.9623 -0.5489 -0.5435 0.0493 0.0622 0.0637 0.0867 0.4470 0.4628 0.6140 0.6333 0.8987 0.8992 0.9614 0.9662 1.0628 1.0900 1.1748 1.1888 6.7467 6.7566 7.3491 7.3577 8.9906 9.0091 9.4832 9.4957 9.6368 9.6389 k = 0.1167 0.3652 0.6176 ( 5364 PWs) bands (ev): -12.0662 -12.0662 -11.9417 -11.9414 -11.8106 -11.8103 -11.7812 -11.7805 -3.7405 -3.7366 -3.6868 -3.6381 -3.6235 -3.5907 -3.4720 -3.4698 -3.3702 -3.3563 -3.3300 -3.2828 -3.2225 -3.2125 -3.1531 -3.1151 -3.0770 -3.0394 -3.0085 -2.9894 -2.3837 -2.3598 -1.8986 -1.8974 -0.9777 -0.9745 -0.5821 -0.5765 0.0720 0.0848 0.0870 0.1098 0.4673 0.4825 0.6252 0.6466 0.9096 0.9098 0.9688 0.9722 1.0667 1.0948 1.1732 1.1886 6.7365 6.7469 7.3137 7.3227 9.0254 9.0454 9.4845 9.4975 9.6712 9.6735 k = 0.1250 0.3539 0.6316 ( 5368 PWs) bands (ev): -12.0606 -12.0605 -11.9393 -11.9389 -11.8151 -11.8147 -11.7842 -11.7836 -3.7396 -3.7356 -3.6885 -3.6376 -3.6200 -3.5876 -3.4721 -3.4702 -3.3700 -3.3539 -3.3300 -3.2805 -3.2211 -3.2116 -3.1570 -3.1161 -3.0764 -3.0394 -3.0094 -2.9883 -2.3893 -2.3643 -1.9297 -1.9281 -0.9895 -0.9866 -0.6160 -0.6103 0.0963 0.1093 0.1124 0.1344 0.4863 0.5006 0.6336 0.6572 0.9207 0.9208 0.9762 0.9776 1.0720 1.1003 1.1715 1.1883 6.7273 6.7381 7.2777 7.2872 9.0617 9.0832 9.4857 9.4990 9.7074 9.7099 k = 0.1333 0.3426 0.6456 ( 5372 PWs) bands (ev): -12.0547 -12.0546 -11.9368 -11.9365 -11.8197 -11.8193 -11.7874 -11.7867 -3.7387 -3.7346 -3.6902 -3.6371 -3.6166 -3.5846 -3.4722 -3.4706 -3.3700 -3.3512 -3.3298 -3.2782 -3.2196 -3.2108 -3.1608 -3.1173 -3.0756 -3.0398 -3.0104 -2.9873 -2.3939 -2.3681 -1.9607 -1.9586 -1.0009 -0.9985 -0.6502 -0.6443 0.1218 0.1352 0.1394 0.1600 0.5037 0.5170 0.6393 0.6650 0.9318 0.9325 0.9825 0.9837 1.0782 1.1062 1.1695 1.1877 6.7193 6.7305 7.2415 7.2514 9.0994 9.1223 9.4868 9.5003 9.7451 9.7478 k = 0.1417 0.3313 0.6597 ( 5376 PWs) bands (ev): -12.0485 -12.0484 -11.9345 -11.9341 -11.8243 -11.8238 -11.7908 -11.7901 -3.7377 -3.7336 -3.6919 -3.6364 -3.6131 -3.5817 -3.4723 -3.4711 -3.3703 -3.3484 -3.3294 -3.2762 -3.2179 -3.2100 -3.1646 -3.1187 -3.0746 -3.0404 -3.0115 -2.9863 -2.3974 -2.3709 -1.9912 -1.9885 -1.0117 -1.0097 -0.6841 -0.6782 0.1482 0.1623 0.1674 0.1863 0.5193 0.5313 0.6423 0.6699 0.9432 0.9445 0.9873 0.9913 1.0851 1.1124 1.1673 1.1869 6.7127 6.7243 7.2052 7.2154 9.1382 9.1625 9.4880 9.5016 9.7839 9.7870 k = 0.1500 0.3200 0.6737 ( 5380 PWs) bands (ev): -12.0421 -12.0420 -11.9323 -11.9320 -11.8288 -11.8283 -11.7943 -11.7935 -3.7367 -3.7326 -3.6936 -3.6357 -3.6097 -3.5789 -3.4725 -3.4715 -3.3707 -3.3455 -3.3288 -3.2743 -3.2160 -3.2092 -3.1682 -3.1201 -3.0734 -3.0413 -3.0128 -2.9854 -2.3997 -2.3727 -2.0212 -2.0179 -1.0216 -1.0200 -0.7176 -0.7116 0.1750 0.1901 0.1961 0.2132 0.5328 0.5433 0.6426 0.6720 0.9548 0.9568 0.9923 0.9992 1.0920 1.1184 1.1648 1.1858 6.7077 6.7196 7.1690 7.1796 9.1779 9.2034 9.4893 9.5028 9.8234 9.8267 k = 0.1583 0.3087 0.6877 ( 5388 PWs) bands (ev): -12.0354 -12.0354 -11.9305 -11.9301 -11.8332 -11.8326 -11.7979 -11.7971 -3.7356 -3.7316 -3.6953 -3.6350 -3.6063 -3.5761 -3.4728 -3.4720 -3.3715 -3.3425 -3.3279 -3.2726 -3.2139 -3.2086 -3.1717 -3.1216 -3.0721 -3.0425 -3.0143 -2.9847 -2.4006 -2.3733 -2.0506 -2.0466 -1.0304 -1.0293 -0.7503 -0.7443 0.2021 0.2183 0.2251 0.2405 0.5440 0.5529 0.6404 0.6713 0.9666 0.9695 0.9978 1.0075 1.0987 1.1241 1.1620 1.1843 6.7045 6.7167 7.1331 7.1440 9.2181 9.2446 9.4909 9.5041 9.8629 9.8665 k = 0.1667 0.2974 0.7018 ( 5386 PWs) bands (ev): -12.0286 -12.0286 -11.9290 -11.9287 -11.8372 -11.8367 -11.8016 -11.8008 -3.7345 -3.7307 -3.6970 -3.6342 -3.6031 -3.5735 -3.4731 -3.4725 -3.3724 -3.3393 -3.3269 -3.2712 -3.2117 -3.2081 -3.1751 -3.1233 -3.0706 -3.0437 -3.0159 -2.9840 -2.4002 -2.3728 -2.0791 -2.0744 -1.0379 -1.0371 -0.7820 -0.7760 0.2294 0.2467 0.2540 0.2679 0.5529 0.5600 0.6358 0.6679 0.9785 0.9825 1.0041 1.0164 1.1048 1.1291 1.1587 1.1823 6.7031 6.7155 7.0977 7.1090 9.2583 9.2856 9.4928 9.5055 9.9018 9.9055 k = 0.1750 0.2861 0.7158 ( 5386 PWs) bands (ev): -12.0216 -12.0216 -11.9280 -11.9278 -11.8409 -11.8402 -11.8054 -11.8046 -3.7334 -3.7298 -3.6987 -3.6334 -3.5999 -3.5711 -3.4734 -3.4730 -3.3736 -3.3361 -3.3256 -3.2700 -3.2093 -3.2076 -3.1783 -3.1250 -3.0689 -3.0452 -3.0177 -2.9834 -2.3983 -2.3709 -2.1068 -2.1013 -1.0438 -1.0435 -0.8126 -0.8066 0.2566 0.2748 0.2828 0.2954 0.5592 0.5644 0.6290 0.6619 0.9904 0.9956 1.0112 1.0258 1.1099 1.1332 1.1550 1.1797 6.7037 6.7163 7.0630 7.0746 9.2979 9.3258 9.4952 9.5072 9.9391 9.9426 k = 0.1833 0.2748 0.7299 ( 5382 PWs) bands (ev): -12.0145 -12.0145 -11.9278 -11.9276 -11.8439 -11.8432 -11.8093 -11.8084 -3.7322 -3.7289 -3.7003 -3.6326 -3.5970 -3.5688 -3.4738 -3.4735 -3.3749 -3.3329 -3.3243 -3.2691 -3.2072 -3.2069 -3.1812 -3.1268 -3.0671 -3.0467 -3.0196 -2.9830 -2.3949 -2.3678 -2.1335 -2.1272 -1.0481 -1.0480 -0.8418 -0.8359 0.2836 0.3025 0.3109 0.3227 0.5629 0.5661 0.6201 0.6536 1.0022 1.0086 1.0194 1.0359 1.1138 1.1363 1.1509 1.1766 6.7064 6.7192 7.0291 7.0410 9.3363 9.3644 9.4980 9.5091 9.9739 9.9765 k = 0.1917 0.2635 0.7439 ( 5382 PWs) bands (ev): -12.0073 -12.0072 -11.9284 -11.9282 -11.8462 -11.8454 -11.8132 -11.8123 -3.7310 -3.7281 -3.7018 -3.6318 -3.5942 -3.5666 -3.4742 -3.4740 -3.3762 -3.3297 -3.3228 -3.2685 -3.2069 -3.2045 -3.1839 -3.1286 -3.0652 -3.0482 -3.0216 -2.9826 -2.3900 -2.3632 -2.1592 -2.1520 -1.0509 -1.0503 -0.8695 -0.8637 0.3103 0.3295 0.3384 0.3497 0.5640 0.5652 0.6094 0.6430 1.0137 1.0214 1.0285 1.0464 1.1162 1.1381 1.1464 1.1729 6.7112 6.7241 6.9963 7.0084 9.3727 9.4003 9.5014 9.5112 10.0053 10.0060 k = 0.2000 0.2522 0.7579 ( 5382 PWs) bands (ev): -12.0000 -12.0000 -11.9300 -11.9298 -11.8476 -11.8468 -11.8171 -11.8162 -3.7299 -3.7274 -3.7034 -3.6311 -3.5917 -3.5647 -3.4746 -3.4744 -3.3776 -3.3267 -3.3214 -3.2681 -3.2067 -3.2020 -3.1863 -3.1304 -3.0632 -3.0497 -3.0236 -2.9824 -2.3835 -2.3573 -2.1837 -2.1757 -1.0518 -1.0507 -0.8955 -0.8899 0.3365 0.3556 0.3649 0.3763 0.5616 0.5625 0.5971 0.6304 1.0248 1.0338 1.0383 1.0573 1.1171 1.1385 1.1416 1.1686 6.7182 6.7311 6.9646 6.9770 9.4061 9.4326 9.5052 9.5135 10.0310 10.0329 k = 0.2083 0.2409 0.7720 ( 5378 PWs) bands (ev): -11.9927 -11.9927 -11.9325 -11.9324 -11.8481 -11.8472 -11.8211 -11.8202 -3.7288 -3.7268 -3.7048 -3.6305 -3.5895 -3.5631 -3.4750 -3.4748 -3.3789 -3.3239 -3.3200 -3.2679 -3.2065 -3.1997 -3.1884 -3.1321 -3.0612 -3.0510 -3.0257 -2.9822 -2.3757 -2.3499 -2.2070 -2.1982 -1.0506 -1.0491 -0.9198 -0.9144 0.3623 0.3805 0.3903 0.4023 0.5553 0.5585 0.5835 0.6160 1.0355 1.0456 1.0486 1.0686 1.1161 1.1367 1.1377 1.1636 6.7274 6.7404 6.9342 6.9469 9.4358 9.4604 9.5093 9.5158 10.0529 10.0576 k = 0.2167 0.2296 0.7860 ( 5370 PWs) bands (ev): -11.9854 -11.9854 -11.9360 -11.9360 -11.8477 -11.8468 -11.8249 -11.8240 -3.7277 -3.7263 -3.7061 -3.6299 -3.5876 -3.5616 -3.4753 -3.4752 -3.3800 -3.3213 -3.3188 -3.2679 -3.2064 -3.1977 -3.1902 -3.1337 -3.0593 -3.0522 -3.0277 -2.9820 -2.3664 -2.3411 -2.2289 -2.2195 -1.0472 -1.0454 -0.9423 -0.9371 0.3875 0.4040 0.4144 0.4276 0.5461 0.5521 0.5694 0.6000 1.0459 1.0566 1.0589 1.0798 1.1131 1.1318 1.1355 1.1582 6.7388 6.7518 6.9053 6.9183 9.4609 9.4829 9.5136 9.5179 10.0743 10.0812 k = 0.2250 0.2183 0.8000 ( 5370 PWs) bands (ev): -11.9782 -11.9782 -11.9404 -11.9404 -11.8465 -11.8455 -11.8287 -11.8278 -3.7268 -3.7259 -3.7072 -3.6294 -3.5861 -3.5605 -3.4756 -3.4755 -3.3810 -3.3192 -3.3177 -3.2680 -3.2064 -3.1959 -3.1916 -3.1351 -3.0574 -3.0532 -3.0296 -2.9819 -2.3560 -2.3309 -2.2492 -2.2395 -1.0417 -1.0396 -0.9628 -0.9577 0.4119 0.4255 0.4368 0.4521 0.5337 0.5436 0.5554 0.5825 1.0561 1.0664 1.0686 1.0908 1.1082 1.1270 1.1322 1.1522 6.7524 6.7652 6.8780 6.8912 9.4810 9.4997 9.5177 9.5196 10.0973 10.1053 k = 0.2333 0.2071 0.8141 ( 5366 PWs) bands (ev): -11.9711 -11.9711 -11.9456 -11.9456 -11.8447 -11.8436 -11.8324 -11.8315 -3.7260 -3.7256 -3.7081 -3.6291 -3.5851 -3.5597 -3.4758 -3.4758 -3.3817 -3.3176 -3.3169 -3.2681 -3.2064 -3.1945 -3.1926 -3.1361 -3.0559 -3.0539 -3.0311 -2.9819 -2.3448 -2.3193 -2.2674 -2.2581 -1.0341 -1.0317 -0.9812 -0.9763 0.4353 0.4444 0.4570 0.4758 0.5183 0.5334 0.5425 0.5638 1.0659 1.0747 1.0771 1.1012 1.1019 1.1225 1.1282 1.1461 6.7682 6.7807 6.8524 6.8660 9.4959 9.5110 9.5205 9.5212 10.1228 10.1312 k = 0.2417 0.1958 0.8281 ( 5368 PWs) bands (ev): -11.9642 -11.9642 -11.9513 -11.9513 -11.8423 -11.8411 -11.8358 -11.8350 -3.7256 -3.7254 -3.7087 -3.6289 -3.5844 -3.5592 -3.4760 -3.4759 -3.3822 -3.3166 -3.3165 -3.2682 -3.2064 -3.1936 -3.1932 -3.1368 -3.0549 -3.0544 -3.0322 -2.9819 -2.3344 -2.3063 -2.2821 -2.2753 -1.0243 -1.0220 -0.9976 -0.9925 0.4561 0.4603 0.4736 0.4981 0.5002 0.5231 0.5322 0.5442 1.0753 1.0805 1.0833 1.0947 1.1104 1.1188 1.1236 1.1408 6.7859 6.7977 6.8287 6.8431 9.5056 9.5176 9.5203 9.5234 10.1496 10.1586 k = 0.2500 0.1845 0.8421 ( 5372 PWs) bands (ev): -11.9581 -11.9581 -11.9571 -11.9570 -11.8403 -11.8383 -11.8382 -11.8382 -3.7254 -3.7254 -3.7089 -3.6288 -3.5842 -3.5590 -3.4760 -3.4760 -3.3824 -3.3163 -3.3163 -3.2683 -3.2064 -3.1934 -3.1934 -3.1370 -3.0545 -3.0545 -3.0325 -2.9819 -2.3292 -2.2942 -2.2887 -2.2887 -1.0142 -1.0142 -1.0098 -1.0025 0.4632 0.4791 0.4815 0.4815 0.5112 0.5214 0.5278 0.5278 1.0827 1.0827 1.0836 1.0901 1.1172 1.1172 1.1187 1.1385 6.8020 6.8106 6.8106 6.8283 9.5093 9.5197 9.5197 9.5242 10.1671 10.1786 k = 0.2500 0.1845 0.8421 ( 5372 PWs) bands (ev): -11.9581 -11.9581 -11.9571 -11.9570 -11.8403 -11.8383 -11.8382 -11.8382 -3.7254 -3.7254 -3.7089 -3.6288 -3.5842 -3.5590 -3.4760 -3.4760 -3.3824 -3.3163 -3.3163 -3.2683 -3.2064 -3.1934 -3.1934 -3.1370 -3.0545 -3.0545 -3.0325 -2.9819 -2.3292 -2.2942 -2.2887 -2.2887 -1.0142 -1.0142 -1.0098 -1.0025 0.4632 0.4791 0.4815 0.4815 0.5112 0.5214 0.5278 0.5278 1.0827 1.0827 1.0836 1.0901 1.1172 1.1172 1.1187 1.1385 6.8020 6.8106 6.8106 6.8283 9.5093 9.5197 9.5197 9.5242 10.1671 10.1786 k = 0.2632 0.1942 0.8301 ( 5368 PWs) bands (ev): -11.9614 -11.9614 -11.9539 -11.9539 -11.8413 -11.8400 -11.8371 -11.8364 -3.7267 -3.7241 -3.7089 -3.6292 -3.5840 -3.5589 -3.4768 -3.4755 -3.3822 -3.3164 -3.3164 -3.2684 -3.2064 -3.1953 -3.1910 -3.1368 -3.0571 -3.0521 -3.0325 -2.9819 -2.3315 -2.3015 -2.2857 -2.2826 -1.0186 -1.0164 -1.0025 -0.9968 0.4470 0.4584 0.4604 0.4845 0.5134 0.5259 0.5390 0.5577 1.0791 1.0795 1.0866 1.0914 1.1139 1.1185 1.1228 1.1399 6.7933 6.8037 6.8201 6.8347 9.5091 9.5195 9.5212 9.5248 10.1561 10.1650 k = 0.2763 0.2039 0.8180 ( 5364 PWs) bands (ev): -11.9650 -11.9649 -11.9507 -11.9507 -11.8426 -11.8415 -11.8353 -11.8346 -3.7279 -3.7228 -3.7090 -3.6301 -3.5836 -3.5583 -3.4778 -3.4754 -3.3816 -3.3169 -3.3165 -3.2687 -3.2063 -3.1971 -3.1879 -3.1363 -3.0595 -3.0499 -3.0324 -2.9820 -2.3372 -2.3110 -2.2798 -2.2747 -1.0211 -1.0182 -0.9911 -0.9855 0.4134 0.4252 0.4396 0.4622 0.5235 0.5362 0.5727 0.5914 1.0737 1.0742 1.0896 1.0927 1.1109 1.1201 1.1295 1.1439 6.7822 6.7929 6.8324 6.8454 9.5095 9.5202 9.5243 9.5267 10.1324 10.1388 k = 0.2895 0.2136 0.8059 ( 5368 PWs) bands (ev): -11.9682 -11.9682 -11.9479 -11.9479 -11.8439 -11.8428 -11.8336 -11.8329 -3.7290 -3.7216 -3.7091 -3.6315 -3.5828 -3.5576 -3.4790 -3.4758 -3.3808 -3.3178 -3.3166 -3.2694 -3.2063 -3.1988 -3.1841 -3.1355 -3.0619 -3.0482 -3.0321 -2.9823 -2.3442 -2.3203 -2.2726 -2.2672 -1.0201 -1.0170 -0.9772 -0.9714 0.3767 0.3886 0.4156 0.4357 0.5365 0.5484 0.6039 0.6221 1.0679 1.0684 1.0918 1.0928 1.1088 1.1221 1.1375 1.1500 6.7718 6.7822 6.8444 6.8564 9.5115 9.5222 9.5288 9.5301 10.1036 10.1084 k = 0.3026 0.2233 0.7939 ( 5370 PWs) bands (ev): -11.9712 -11.9711 -11.9456 -11.9456 -11.8449 -11.8439 -11.8321 -11.8314 -3.7299 -3.7206 -3.7092 -3.6334 -3.5818 -3.5566 -3.4803 -3.4767 -3.3797 -3.3191 -3.3165 -3.2705 -3.2064 -3.2004 -3.1796 -3.1345 -3.0643 -3.0471 -3.0315 -2.9827 -2.3513 -2.3288 -2.2651 -2.2601 -1.0157 -1.0127 -0.9611 -0.9548 0.3391 0.3507 0.3894 0.4077 0.5497 0.5608 0.6308 0.6484 1.0623 1.0627 1.0920 1.0928 1.1079 1.1243 1.1467 1.1578 6.7624 6.7723 6.8559 6.8670 9.5155 9.5258 9.5349 9.5352 10.0724 10.0760 k = 0.3158 0.2330 0.7818 ( 5377 PWs) bands (ev): -11.9738 -11.9737 -11.9437 -11.9436 -11.8457 -11.8447 -11.8308 -11.8301 -3.7308 -3.7198 -3.7091 -3.6357 -3.5805 -3.5556 -3.4818 -3.4780 -3.3785 -3.3209 -3.3163 -3.2719 -3.2067 -3.2020 -3.1746 -3.1333 -3.0666 -3.0467 -3.0307 -2.9833 -2.3576 -2.3363 -2.2576 -2.2535 -1.0081 -1.0053 -0.9431 -0.9363 0.3012 0.3122 0.3617 0.3787 0.5627 0.5731 0.6531 0.6700 1.0571 1.0573 1.0904 1.0924 1.1082 1.1262 1.1566 1.1669 6.7544 6.7636 6.8667 6.8769 9.5213 9.5311 9.5421 9.5427 10.0402 10.0429 k = 0.3289 0.2427 0.7697 ( 5379 PWs) bands (ev): -11.9760 -11.9759 -11.9421 -11.9420 -11.8462 -11.8454 -11.8297 -11.8291 -3.7315 -3.7193 -3.7087 -3.6383 -3.5791 -3.5545 -3.4833 -3.4797 -3.3773 -3.3230 -3.3159 -3.2735 -3.2071 -3.2035 -3.1693 -3.1319 -3.0688 -3.0471 -3.0297 -2.9842 -2.3626 -2.3422 -2.2504 -2.2474 -0.9976 -0.9951 -0.9234 -0.9161 0.2633 0.2737 0.3332 0.3490 0.5750 0.5847 0.6707 0.6869 1.0521 1.0523 1.0884 1.0910 1.1094 1.1278 1.1669 1.1767 6.7480 6.7565 6.8766 6.8860 9.5286 9.5376 9.5508 9.5523 10.0079 10.0096 k = 0.3421 0.2524 0.7577 ( 5384 PWs) bands (ev): -11.9779 -11.9777 -11.9409 -11.9408 -11.8466 -11.8458 -11.8289 -11.8284 -3.7321 -3.7191 -3.7080 -3.6412 -3.5774 -3.5534 -3.4850 -3.4817 -3.3761 -3.3255 -3.3152 -3.2753 -3.2077 -3.2049 -3.1638 -3.1304 -3.0710 -3.0482 -3.0288 -2.9855 -2.3658 -2.3462 -2.2435 -2.2417 -0.9845 -0.9823 -0.9024 -0.8946 0.2261 0.2358 0.3041 0.3191 0.5865 0.5955 0.6840 0.6992 1.0473 1.0479 1.0862 1.0890 1.1108 1.1290 1.1774 1.1868 6.7435 6.7513 6.8856 6.8942 9.5367 9.5450 9.5611 9.5637 9.9764 9.9767 k = 0.3553 0.2621 0.7456 ( 5387 PWs) bands (ev): -11.9793 -11.9791 -11.9401 -11.9399 -11.8468 -11.8459 -11.8284 -11.8280 -3.7326 -3.7194 -3.7069 -3.6442 -3.5757 -3.5525 -3.4867 -3.4839 -3.3751 -3.3285 -3.3144 -3.2773 -3.2084 -3.2064 -3.1583 -3.1288 -3.0732 -3.0499 -3.0279 -2.9871 -2.3669 -2.3480 -2.2369 -2.2364 -0.9691 -0.9674 -0.8804 -0.8722 0.1901 0.1988 0.2750 0.2892 0.5970 0.6053 0.6933 0.7073 1.0428 1.0438 1.0838 1.0869 1.1123 1.1298 1.1874 1.1965 6.7411 6.7482 6.8935 6.9013 9.5447 9.5522 9.5731 9.5770 9.9440 9.9459 k = 0.3684 0.2718 0.7336 ( 5385 PWs) bands (ev): -11.9803 -11.9801 -11.9396 -11.9394 -11.8467 -11.8459 -11.8283 -11.8279 -3.7330 -3.7199 -3.7054 -3.6474 -3.5738 -3.5517 -3.4884 -3.4863 -3.3742 -3.3317 -3.3133 -3.2793 -3.2093 -3.2079 -3.1531 -3.1271 -3.0752 -3.0522 -3.0272 -2.9892 -2.3654 -2.3472 -2.2315 -2.2306 -0.9517 -0.9505 -0.8580 -0.8493 0.1556 0.1634 0.2461 0.2596 0.6063 0.6138 0.6989 0.7117 1.0386 1.0400 1.0814 1.0847 1.1136 1.1302 1.1964 1.2051 6.7412 6.7475 6.9003 6.9074 9.5513 9.5580 9.5867 9.5921 9.9082 9.9146 k = 0.3816 0.2815 0.7215 ( 5384 PWs) bands (ev): -11.9808 -11.9806 -11.9395 -11.9393 -11.8465 -11.8457 -11.8284 -11.8282 -3.7332 -3.7207 -3.7038 -3.6507 -3.5720 -3.5512 -3.4902 -3.4887 -3.3735 -3.3353 -3.3121 -3.2815 -3.2103 -3.2094 -3.1482 -3.1256 -3.0772 -3.0552 -3.0267 -2.9917 -2.3612 -2.3436 -2.2269 -2.2247 -0.9326 -0.9320 -0.8357 -0.8266 0.1234 0.1302 0.2177 0.2306 0.6142 0.6208 0.7013 0.7128 1.0348 1.0366 1.0789 1.0825 1.1148 1.1304 1.2038 1.2122 6.7439 6.7495 6.9059 6.9123 9.5551 9.5606 9.6018 9.6088 9.8638 9.8729 k = 0.3947 0.2913 0.7094 ( 5382 PWs) bands (ev): -11.9809 -11.9806 -11.9399 -11.9396 -11.8460 -11.8453 -11.8288 -11.8287 -3.7333 -3.7215 -3.7019 -3.6541 -3.5701 -3.5509 -3.4919 -3.4912 -3.3730 -3.3392 -3.3108 -3.2836 -3.2114 -3.2109 -3.1439 -3.1240 -3.0790 -3.0589 -3.0262 -2.9946 -2.3541 -2.3372 -2.2226 -2.2191 -0.9122 -0.9121 -0.8140 -0.8047 0.0940 0.0997 0.1903 0.2025 0.6206 0.6263 0.7007 0.7110 1.0314 1.0334 1.0765 1.0802 1.1161 1.1305 1.2093 1.2172 6.7495 6.7543 6.9104 6.9160 9.5544 9.5585 9.6177 9.6268 9.8144 9.8247 k = 0.4079 0.3010 0.6974 ( 5377 PWs) bands (ev): -11.9805 -11.9802 -11.9407 -11.9403 -11.8454 -11.8447 -11.8295 -11.8295 -3.7332 -3.7225 -3.6998 -3.6576 -3.5684 -3.5510 -3.4935 -3.4935 -3.3727 -3.3434 -3.3094 -3.2858 -3.2127 -3.2126 -3.1400 -3.1227 -3.0807 -3.0630 -3.0259 -2.9979 -2.3440 -2.3277 -2.2186 -2.2138 -0.8914 -0.8906 -0.7937 -0.7842 0.0681 0.0727 0.1640 0.1756 0.6253 0.6301 0.6976 0.7066 1.0283 1.0306 1.0739 1.0777 1.1178 1.1306 1.2123 1.2197 6.7580 6.7621 6.9135 6.9185 9.5480 9.5506 9.6324 9.6448 9.7647 9.7776 k = 0.4211 0.3107 0.6853 ( 5378 PWs) bands (ev): -11.9797 -11.9793 -11.9420 -11.9416 -11.8446 -11.8439 -11.8304 -11.8303 -3.7330 -3.7235 -3.6976 -3.6611 -3.5669 -3.5516 -3.4957 -3.4951 -3.3725 -3.3478 -3.3080 -3.2880 -3.2143 -3.2141 -3.1369 -3.1217 -3.0821 -3.0674 -3.0256 -3.0015 -2.3311 -2.3153 -2.2149 -2.2087 -0.8700 -0.8682 -0.7754 -0.7658 0.0465 0.0499 0.1392 0.1501 0.6283 0.6322 0.6921 0.6999 1.0257 1.0281 1.0711 1.0746 1.1201 1.1311 1.2125 1.2194 6.7695 6.7729 6.9154 6.9197 9.5353 9.5367 9.6392 9.6562 9.7222 9.7393 k = 0.4342 0.3204 0.6732 ( 5388 PWs) bands (ev): -11.9783 -11.9779 -11.9439 -11.9435 -11.8436 -11.8429 -11.8315 -11.8313 -3.7327 -3.7246 -3.6953 -3.6646 -3.5656 -3.5526 -3.4976 -3.4965 -3.3725 -3.3524 -3.3066 -3.2902 -3.2162 -3.2157 -3.1344 -3.1211 -3.0832 -3.0720 -3.0254 -3.0053 -2.3153 -2.3002 -2.2113 -2.2040 -0.8481 -0.8455 -0.7599 -0.7504 0.0298 0.0318 0.1161 0.1262 0.6296 0.6325 0.6845 0.6910 1.0235 1.0259 1.0680 1.0710 1.1233 1.1323 1.2099 1.2162 6.7840 6.7866 6.9160 6.9196 9.5166 9.5170 9.6218 9.6345 9.7137 9.7262 k = 0.4474 0.3301 0.6612 ( 5382 PWs) bands (ev): -11.9765 -11.9761 -11.9465 -11.9460 -11.8424 -11.8417 -11.8326 -11.8323 -3.7323 -3.7256 -3.6928 -3.6681 -3.5647 -3.5542 -3.4991 -3.4978 -3.3726 -3.3569 -3.3052 -3.2923 -3.2181 -3.2174 -3.1326 -3.1211 -3.0840 -3.0763 -3.0250 -3.0092 -2.2971 -2.2824 -2.2079 -2.1994 -0.8261 -0.8225 -0.7478 -0.7385 0.0187 0.0192 0.0948 0.1041 0.6290 0.6310 0.6749 0.6803 1.0215 1.0239 1.0643 1.0668 1.1275 1.1343 1.2044 1.2100 6.8013 6.8033 6.9152 6.9182 9.4925 9.4926 9.5807 9.5869 9.7318 9.7377 k = 0.4605 0.3398 0.6491 ( 5379 PWs) bands (ev): -11.9742 -11.9737 -11.9497 -11.9492 -11.8411 -11.8404 -11.8337 -11.8333 -3.7317 -3.7267 -3.6902 -3.6716 -3.5641 -3.5563 -3.5001 -3.4989 -3.3728 -3.3615 -3.3039 -3.2945 -3.2200 -3.2194 -3.1314 -3.1220 -3.0845 -3.0799 -3.0247 -3.0130 -2.2765 -2.2625 -2.2046 -2.1951 -0.8041 -0.7995 -0.7395 -0.7305 0.0124 0.0133 0.0756 0.0840 0.6266 0.6278 0.6636 0.6678 1.0198 1.0219 1.0602 1.0620 1.1327 1.1373 1.1961 1.2009 6.8215 6.8228 6.9132 6.9156 9.4643 9.4645 9.5309 9.5342 9.7557 9.7587 k = 0.4737 0.3495 0.6370 ( 5377 PWs) bands (ev): -11.9714 -11.9709 -11.9538 -11.9532 -11.8396 -11.8389 -11.8346 -11.8341 -3.7310 -3.7277 -3.6875 -3.6751 -3.5641 -3.5590 -3.5007 -3.4997 -3.3731 -3.3660 -3.3028 -3.2967 -3.2221 -3.2215 -3.1307 -3.1239 -3.0847 -3.0825 -3.0243 -3.0167 -2.2540 -2.2410 -2.2010 -2.1909 -0.7824 -0.7767 -0.7353 -0.7266 0.0114 0.0138 0.0587 0.0661 0.6222 0.6227 0.6509 0.6538 1.0178 1.0194 1.0558 1.0570 1.1387 1.1412 1.1854 1.1893 6.8440 6.8447 6.9100 6.9118 9.4330 9.4332 9.4784 9.4802 9.7816 9.7832 k = 0.4868 0.3592 0.6250 ( 5379 PWs) bands (ev): -11.9681 -11.9676 -11.9586 -11.9581 -11.8380 -11.8374 -11.8352 -11.8347 -3.7303 -3.7286 -3.6846 -3.6784 -3.5647 -3.5622 -3.5009 -3.5003 -3.3736 -3.3702 -3.3018 -3.2988 -3.2242 -3.2238 -3.1305 -3.1268 -3.0847 -3.0841 -3.0239 -3.0202 -2.2301 -2.2200 -2.1953 -2.1866 -0.7612 -0.7547 -0.7346 -0.7266 0.0159 0.0191 0.0450 0.0508 0.6154 0.6155 0.6373 0.6389 1.0151 1.0160 1.0514 1.0521 1.1447 1.1454 1.1736 1.1761 6.8682 6.8683 6.9061 6.9072 9.3990 9.3991 9.4253 9.4263 9.8082 9.8092 k = 0.5000 0.3689 0.6129 ( 5376 PWs) bands (ev): -11.9645 -11.9645 -11.9637 -11.9637 -11.8365 -11.8365 -11.8348 -11.8348 -3.7295 -3.7295 -3.6817 -3.6817 -3.5659 -3.5659 -3.5007 -3.5007 -3.3741 -3.3741 -3.3010 -3.3010 -3.2263 -3.2263 -3.1304 -3.1304 -3.0845 -3.0845 -3.0234 -3.0234 -2.2068 -2.2068 -2.1807 -2.1807 -0.7417 -0.7417 -0.7289 -0.7289 0.0227 0.0227 0.0406 0.0406 0.6051 0.6051 0.6244 0.6244 1.0110 1.0110 1.0474 1.0474 1.1462 1.1462 1.1655 1.1655 6.8885 6.8885 6.9068 6.9068 9.3597 9.3597 9.3760 9.3760 9.8311 9.8311 k = 0.5000 0.3689 0.6129 ( 5376 PWs) bands (ev): -11.9645 -11.9645 -11.9637 -11.9637 -11.8365 -11.8365 -11.8348 -11.8348 -3.7295 -3.7295 -3.6817 -3.6817 -3.5659 -3.5659 -3.5007 -3.5007 -3.3741 -3.3741 -3.3010 -3.3010 -3.2263 -3.2263 -3.1304 -3.1304 -3.0845 -3.0845 -3.0234 -3.0234 -2.2068 -2.2068 -2.1807 -2.1807 -0.7417 -0.7417 -0.7289 -0.7289 0.0227 0.0227 0.0406 0.0406 0.6051 0.6051 0.6244 0.6244 1.0110 1.0110 1.0474 1.0474 1.1462 1.1462 1.1655 1.1655 6.8885 6.8885 6.9068 6.9068 9.3597 9.3597 9.3760 9.3760 9.8311 9.8311 k = 0.5000 0.3689 0.5925 ( 5378 PWs) bands (ev): -11.9666 -11.9666 -11.9657 -11.9657 -11.8350 -11.8350 -11.8333 -11.8333 -3.7296 -3.7296 -3.6817 -3.6817 -3.5704 -3.5704 -3.5007 -3.5007 -3.3776 -3.3776 -3.3023 -3.3023 -3.2303 -3.2303 -3.1339 -3.1339 -3.0842 -3.0842 -3.0255 -3.0255 -2.1820 -2.1820 -2.1559 -2.1559 -0.7281 -0.7281 -0.7140 -0.7140 0.0234 0.0234 0.0424 0.0424 0.5833 0.5833 0.6022 0.6022 1.0014 1.0014 1.0398 1.0398 1.1388 1.1388 1.1592 1.1592 6.9060 6.9060 6.9241 6.9241 9.2829 9.2829 9.2984 9.2984 9.8450 9.8450 k = 0.5000 0.3689 0.5720 ( 5384 PWs) bands (ev): -11.9690 -11.9690 -11.9681 -11.9681 -11.8331 -11.8331 -11.8315 -11.8315 -3.7297 -3.7297 -3.6818 -3.6818 -3.5748 -3.5748 -3.5011 -3.5011 -3.3809 -3.3809 -3.3037 -3.3037 -3.2342 -3.2342 -3.1378 -3.1378 -3.0837 -3.0837 -3.0274 -3.0274 -2.1568 -2.1568 -2.1306 -2.1306 -0.7133 -0.7133 -0.6978 -0.6978 0.0242 0.0242 0.0444 0.0444 0.5609 0.5609 0.5794 0.5794 0.9913 0.9913 1.0314 1.0314 1.1316 1.1316 1.1529 1.1529 6.9234 6.9234 6.9412 6.9412 9.2043 9.2043 9.2190 9.2190 9.8538 9.8538 k = 0.5000 0.3689 0.5516 ( 5384 PWs) bands (ev): -11.9717 -11.9717 -11.9708 -11.9708 -11.8309 -11.8309 -11.8293 -11.8293 -3.7299 -3.7299 -3.6820 -3.6820 -3.5793 -3.5793 -3.5019 -3.5019 -3.3838 -3.3838 -3.3051 -3.3051 -3.2382 -3.2382 -3.1420 -3.1420 -3.0830 -3.0830 -3.0290 -3.0290 -2.1315 -2.1315 -2.1053 -2.1053 -0.6972 -0.6972 -0.6803 -0.6803 0.0252 0.0252 0.0465 0.0465 0.5382 0.5382 0.5562 0.5562 0.9808 0.9808 1.0222 1.0222 1.1248 1.1248 1.1466 1.1466 6.9403 6.9403 6.9579 6.9579 9.1244 9.1244 9.1384 9.1384 9.8565 9.8565 k = 0.5000 0.3689 0.5312 ( 5368 PWs) bands (ev): -11.9749 -11.9749 -11.9739 -11.9739 -11.8283 -11.8283 -11.8267 -11.8267 -3.7300 -3.7300 -3.6821 -3.6821 -3.5836 -3.5836 -3.5030 -3.5030 -3.3864 -3.3864 -3.3066 -3.3066 -3.2420 -3.2420 -3.1465 -3.1465 -3.0822 -3.0822 -3.0304 -3.0304 -2.1063 -2.1063 -2.0801 -2.0801 -0.6798 -0.6798 -0.6616 -0.6616 0.0262 0.0262 0.0487 0.0487 0.5156 0.5156 0.5330 0.5330 0.9697 0.9697 1.0123 1.0123 1.1183 1.1183 1.1404 1.1404 6.9564 6.9564 6.9737 6.9737 9.0438 9.0438 9.0572 9.0572 9.8520 9.8520 k = 0.5000 0.3689 0.5108 ( 5368 PWs) bands (ev): -11.9783 -11.9783 -11.9774 -11.9774 -11.8253 -11.8253 -11.8238 -11.8238 -3.7302 -3.7302 -3.6822 -3.6822 -3.5878 -3.5878 -3.5045 -3.5045 -3.3885 -3.3885 -3.3081 -3.3081 -3.2458 -3.2458 -3.1513 -3.1513 -3.0812 -3.0812 -3.0316 -3.0316 -2.0816 -2.0816 -2.0554 -2.0554 -0.6611 -0.6611 -0.6415 -0.6415 0.0274 0.0274 0.0511 0.0511 0.4931 0.4931 0.5100 0.5100 0.9583 0.9583 1.0016 1.0016 1.1122 1.1122 1.1343 1.1343 6.9716 6.9716 6.9885 6.9885 8.9631 8.9631 8.9758 8.9758 9.8397 9.8397 k = 0.5000 0.3689 0.4903 ( 5372 PWs) bands (ev): -11.9821 -11.9821 -11.9811 -11.9811 -11.8221 -11.8221 -11.8205 -11.8205 -3.7305 -3.7305 -3.6824 -3.6824 -3.5918 -3.5918 -3.5064 -3.5064 -3.3901 -3.3901 -3.3096 -3.3096 -3.2496 -3.2496 -3.1563 -3.1563 -3.0801 -3.0801 -3.0327 -3.0327 -2.0575 -2.0575 -2.0315 -2.0315 -0.6412 -0.6412 -0.6202 -0.6202 0.0287 0.0287 0.0537 0.0537 0.4713 0.4713 0.4874 0.4874 0.9465 0.9465 0.9903 0.9903 1.1064 1.1064 1.1283 1.1283 6.9855 6.9855 7.0021 7.0021 8.8825 8.8825 8.8945 8.8945 9.8196 9.8196 k = 0.5000 0.3689 0.4699 ( 5374 PWs) bands (ev): -11.9861 -11.9861 -11.9852 -11.9852 -11.8185 -11.8185 -11.8170 -11.8170 -3.7308 -3.7308 -3.6827 -3.6827 -3.5956 -3.5956 -3.5086 -3.5086 -3.3912 -3.3912 -3.3112 -3.3112 -3.2532 -3.2532 -3.1615 -3.1615 -3.0789 -3.0789 -3.0335 -3.0335 -2.0344 -2.0344 -2.0086 -2.0086 -0.6200 -0.6200 -0.5977 -0.5977 0.0302 0.0302 0.0565 0.0565 0.4503 0.4503 0.4656 0.4656 0.9344 0.9344 0.9785 0.9785 1.1009 1.1009 1.1224 1.1224 6.9981 6.9981 7.0142 7.0142 8.8026 8.8026 8.8139 8.8139 9.7917 9.7917 k = 0.5000 0.3689 0.4495 ( 5364 PWs) bands (ev): -11.9904 -11.9904 -11.9894 -11.9894 -11.8147 -11.8147 -11.8132 -11.8132 -3.7310 -3.7310 -3.6830 -3.6830 -3.5992 -3.5992 -3.5111 -3.5111 -3.3919 -3.3919 -3.3127 -3.3127 -3.2568 -3.2568 -3.1669 -3.1669 -3.0776 -3.0776 -3.0342 -3.0342 -2.0124 -2.0124 -1.9869 -1.9869 -0.5977 -0.5977 -0.5740 -0.5740 0.0320 0.0320 0.0595 0.0595 0.4303 0.4303 0.4446 0.4446 0.9220 0.9220 0.9661 0.9661 1.0957 1.0957 1.1166 1.1166 7.0090 7.0090 7.0247 7.0247 8.7237 8.7237 8.7343 8.7343 9.7569 9.7569 k = 0.5000 0.3689 0.4290 ( 5364 PWs) bands (ev): -11.9948 -11.9948 -11.9939 -11.9939 -11.8107 -11.8107 -11.8093 -11.8093 -3.7313 -3.7313 -3.6835 -3.6835 -3.6025 -3.6025 -3.5138 -3.5138 -3.3921 -3.3921 -3.3142 -3.3142 -3.2602 -3.2602 -3.1725 -3.1725 -3.0762 -3.0762 -3.0348 -3.0348 -1.9918 -1.9918 -1.9667 -1.9667 -0.5743 -0.5743 -0.5493 -0.5493 0.0340 0.0340 0.0629 0.0629 0.4116 0.4116 0.4248 0.4248 0.9093 0.9093 0.9533 0.9533 1.0908 1.0908 1.1110 1.1110 7.0182 7.0182 7.0335 7.0335 8.6462 8.6462 8.6561 8.6561 9.7159 9.7159 k = 0.5000 0.3689 0.4086 ( 5364 PWs) bands (ev): -11.9994 -11.9994 -11.9984 -11.9984 -11.8065 -11.8065 -11.8051 -11.8051 -3.7317 -3.7317 -3.6840 -3.6840 -3.6055 -3.6055 -3.5167 -3.5167 -3.3918 -3.3918 -3.3156 -3.3156 -3.2636 -3.2636 -3.1783 -3.1783 -3.0748 -3.0748 -3.0353 -3.0353 -1.9727 -1.9727 -1.9481 -1.9481 -0.5498 -0.5498 -0.5237 -0.5237 0.0365 0.0365 0.0665 0.0665 0.3943 0.3943 0.4062 0.4062 0.8964 0.8964 0.9401 0.9401 1.0861 1.0861 1.1055 1.1055 7.0256 7.0256 7.0403 7.0403 8.5703 8.5703 8.5795 8.5795 9.6698 9.6698 k = 0.5000 0.3689 0.3882 ( 5376 PWs) bands (ev): -12.0040 -12.0040 -12.0031 -12.0031 -11.8022 -11.8022 -11.8009 -11.8009 -3.7320 -3.7320 -3.6847 -3.6847 -3.6081 -3.6081 -3.5198 -3.5198 -3.3912 -3.3912 -3.3170 -3.3170 -3.2669 -3.2669 -3.1842 -3.1842 -3.0733 -3.0733 -3.0358 -3.0358 -1.9552 -1.9552 -1.9312 -1.9312 -0.5245 -0.5245 -0.4973 -0.4973 0.0394 0.0394 0.0705 0.0705 0.3787 0.3787 0.3891 0.3891 0.8832 0.8832 0.9266 0.9266 1.0816 1.0816 1.1001 1.1001 7.0312 7.0312 7.0453 7.0453 8.4963 8.4963 8.5048 8.5048 9.6196 9.6196 k = 0.5000 0.3689 0.3677 ( 5374 PWs) bands (ev): -12.0087 -12.0087 -12.0079 -12.0079 -11.7978 -11.7978 -11.7965 -11.7965 -3.7323 -3.7323 -3.6856 -3.6856 -3.6103 -3.6103 -3.5230 -3.5230 -3.3901 -3.3901 -3.3183 -3.3183 -3.2700 -3.2700 -3.1901 -3.1901 -3.0718 -3.0718 -3.0362 -3.0362 -1.9394 -1.9394 -1.9162 -1.9162 -0.4985 -0.4985 -0.4703 -0.4703 0.0429 0.0429 0.0749 0.0749 0.3648 0.3648 0.3735 0.3735 0.8698 0.8698 0.9128 0.9128 1.0773 1.0773 1.0949 1.0949 7.0348 7.0348 7.0483 7.0483 8.4245 8.4245 8.4323 8.4323 9.5666 9.5666 k = 0.5000 0.3689 0.3473 ( 5372 PWs) bands (ev): -12.0134 -12.0134 -12.0126 -12.0126 -11.7934 -11.7934 -11.7922 -11.7922 -3.7326 -3.7326 -3.6867 -3.6867 -3.6121 -3.6121 -3.5263 -3.5263 -3.3887 -3.3887 -3.3195 -3.3195 -3.2730 -3.2730 -3.1962 -3.1962 -3.0703 -3.0703 -3.0366 -3.0366 -1.9254 -1.9254 -1.9030 -1.9030 -0.4720 -0.4720 -0.4430 -0.4430 0.0471 0.0471 0.0796 0.0796 0.3528 0.3528 0.3596 0.3596 0.8562 0.8562 0.8986 0.8986 1.0732 1.0732 1.0899 1.0899 7.0365 7.0365 7.0493 7.0493 8.3552 8.3552 8.3624 8.3624 9.5116 9.5116 k = 0.5000 0.3689 0.3269 ( 5354 PWs) bands (ev): -12.0181 -12.0181 -12.0173 -12.0173 -11.7890 -11.7890 -11.7878 -11.7878 -3.7329 -3.7329 -3.6879 -3.6879 -3.6134 -3.6134 -3.5297 -3.5297 -3.3869 -3.3869 -3.3206 -3.3206 -3.2759 -3.2759 -3.2023 -3.2023 -3.0686 -3.0686 -3.0368 -3.0368 -1.9131 -1.9131 -1.8916 -1.8916 -0.4453 -0.4453 -0.4157 -0.4157 0.0519 0.0519 0.0848 0.0848 0.3427 0.3427 0.3476 0.3476 0.8424 0.8424 0.8841 0.8841 1.0694 1.0694 1.0850 1.0850 7.0364 7.0364 7.0485 7.0485 8.2886 8.2886 8.2951 8.2951 9.4557 9.4557 k = 0.5000 0.3689 0.3065 ( 5350 PWs) bands (ev): -12.0227 -12.0227 -12.0219 -12.0219 -11.7846 -11.7846 -11.7834 -11.7834 -3.7331 -3.7331 -3.6894 -3.6894 -3.6143 -3.6143 -3.5331 -3.5331 -3.3848 -3.3848 -3.3215 -3.3215 -3.2788 -3.2788 -3.2086 -3.2086 -3.0670 -3.0670 -3.0371 -3.0371 -1.9025 -1.9025 -1.8821 -1.8821 -0.4187 -0.4187 -0.3887 -0.3887 0.0576 0.0576 0.0904 0.0904 0.3344 0.3344 0.3376 0.3376 0.8283 0.8283 0.8694 0.8694 1.0657 1.0657 1.0804 1.0804 7.0345 7.0345 7.0459 7.0459 8.2250 8.2250 8.2308 8.2308 9.3997 9.3997 k = 0.5000 0.3689 0.2860 ( 5358 PWs) bands (ev): -12.0271 -12.0271 -12.0264 -12.0264 -11.7803 -11.7803 -11.7792 -11.7792 -3.7333 -3.7333 -3.6911 -3.6911 -3.6147 -3.6147 -3.5366 -3.5366 -3.3825 -3.3825 -3.3224 -3.3224 -3.2816 -3.2816 -3.2149 -3.2149 -3.0654 -3.0654 -3.0375 -3.0375 -1.8935 -1.8935 -1.8742 -1.8742 -0.3925 -0.3925 -0.3624 -0.3624 0.0640 0.0640 0.0962 0.0962 0.3273 0.3273 0.3306 0.3306 0.8141 0.8141 0.8544 0.8544 1.0622 1.0622 1.0758 1.0758 7.0311 7.0311 7.0417 7.0417 8.1645 8.1645 8.1697 8.1697 9.3445 9.3445 k = 0.5000 0.3689 0.2656 ( 5366 PWs) bands (ev): -12.0314 -12.0314 -12.0308 -12.0308 -11.7761 -11.7761 -11.7751 -11.7751 -3.7334 -3.7334 -3.6930 -3.6930 -3.6147 -3.6147 -3.5401 -3.5401 -3.3799 -3.3799 -3.3231 -3.3231 -3.2842 -3.2842 -3.2212 -3.2212 -3.0639 -3.0639 -3.0378 -3.0378 -1.8861 -1.8861 -1.8680 -1.8680 -0.3669 -0.3669 -0.3370 -0.3370 0.0712 0.0712 0.1023 0.1023 0.3213 0.3213 0.3269 0.3269 0.7997 0.7997 0.8391 0.8391 1.0589 1.0589 1.0715 1.0715 7.0261 7.0261 7.0360 7.0360 8.1073 8.1073 8.1120 8.1120 9.2907 9.2907 k = 0.5000 0.3689 0.2452 ( 5366 PWs) bands (ev): -12.0356 -12.0356 -12.0350 -12.0350 -11.7720 -11.7720 -11.7711 -11.7711 -3.7334 -3.7334 -3.6951 -3.6951 -3.6142 -3.6142 -3.5436 -3.5436 -3.3771 -3.3771 -3.3236 -3.3236 -3.2868 -3.2868 -3.2275 -3.2275 -3.0623 -3.0623 -3.0382 -3.0382 -1.8801 -1.8801 -1.8632 -1.8632 -0.3423 -0.3423 -0.3130 -0.3130 0.0791 0.0791 0.1085 0.1085 0.3171 0.3171 0.3258 0.3258 0.7850 0.7850 0.8235 0.8235 1.0559 1.0559 1.0674 1.0674 7.0200 7.0200 7.0290 7.0290 8.0537 8.0537 8.0578 8.0578 9.2389 9.2389 k = 0.5000 0.3689 0.2247 ( 5364 PWs) bands (ev): -12.0395 -12.0395 -12.0389 -12.0389 -11.7682 -11.7682 -11.7673 -11.7673 -3.7333 -3.7333 -3.6973 -3.6973 -3.6133 -3.6133 -3.5470 -3.5470 -3.3741 -3.3741 -3.3240 -3.3240 -3.2892 -3.2892 -3.2338 -3.2338 -3.0607 -3.0607 -3.0386 -3.0386 -1.8753 -1.8753 -1.8597 -1.8597 -0.3190 -0.3190 -0.2907 -0.2907 0.0875 0.0875 0.1146 0.1146 0.3153 0.3153 0.3273 0.3273 0.7702 0.7702 0.8077 0.8077 1.0530 1.0530 1.0636 1.0636 7.0128 7.0128 7.0210 7.0210 8.0038 8.0038 8.0074 8.0074 9.1897 9.1897 k = 0.5000 0.3689 0.2043 ( 5358 PWs) bands (ev): -12.0431 -12.0431 -12.0426 -12.0426 -11.7646 -11.7646 -11.7638 -11.7638 -3.7331 -3.7331 -3.6996 -3.6996 -3.6120 -3.6120 -3.5505 -3.5505 -3.3708 -3.3708 -3.3243 -3.3243 -3.2915 -3.2915 -3.2400 -3.2400 -3.0591 -3.0591 -3.0390 -3.0390 -1.8716 -1.8716 -1.8574 -1.8574 -0.2972 -0.2972 -0.2703 -0.2703 0.0960 0.0960 0.1203 0.1203 0.3159 0.3159 0.3312 0.3312 0.7553 0.7553 0.7916 0.7916 1.0504 1.0504 1.0599 1.0599 7.0049 7.0049 7.0123 7.0123 7.9577 7.9577 7.9608 7.9608 9.1436 9.1436 k = 0.5000 0.3689 0.1839 ( 5350 PWs) bands (ev): -12.0465 -12.0465 -12.0461 -12.0461 -11.7612 -11.7612 -11.7605 -11.7605 -3.7327 -3.7327 -3.7020 -3.7020 -3.6103 -3.6103 -3.5540 -3.5540 -3.3674 -3.3674 -3.3245 -3.3245 -3.2936 -3.2936 -3.2462 -3.2462 -3.0576 -3.0576 -3.0394 -3.0394 -1.8688 -1.8688 -1.8560 -1.8560 -0.2771 -0.2771 -0.2521 -0.2521 0.1044 0.1044 0.1256 0.1256 0.3191 0.3191 0.3376 0.3376 0.7402 0.7402 0.7753 0.7753 1.0480 1.0480 1.0565 1.0565 6.9965 6.9965 7.0031 7.0031 7.9156 7.9156 7.9183 7.9183 9.1009 9.1009 k = 0.5000 0.3689 0.1634 ( 5362 PWs) bands (ev): -12.0496 -12.0496 -12.0492 -12.0492 -11.7581 -11.7581 -11.7574 -11.7574 -3.7322 -3.7322 -3.7045 -3.7045 -3.6084 -3.6084 -3.5575 -3.5575 -3.3639 -3.3639 -3.3247 -3.3247 -3.2955 -3.2955 -3.2523 -3.2523 -3.0561 -3.0561 -3.0400 -3.0400 -1.8668 -1.8668 -1.8553 -1.8553 -0.2590 -0.2590 -0.2361 -0.2361 0.1122 0.1122 0.1302 0.1302 0.3250 0.3250 0.3461 0.3461 0.7253 0.7253 0.7588 0.7588 1.0458 1.0458 1.0534 1.0534 6.9880 6.9880 6.9937 6.9937 7.8777 7.8777 7.8799 7.8799 9.0620 9.0620 k = 0.5000 0.3689 0.1430 ( 5366 PWs) bands (ev): -12.0524 -12.0524 -12.0520 -12.0520 -11.7553 -11.7553 -11.7547 -11.7547 -3.7316 -3.7316 -3.7070 -3.7070 -3.6062 -3.6062 -3.5611 -3.5611 -3.3603 -3.3603 -3.3250 -3.3250 -3.2971 -3.2971 -3.2582 -3.2582 -3.0547 -3.0547 -3.0405 -3.0405 -1.8654 -1.8654 -1.8553 -1.8553 -0.2428 -0.2428 -0.2224 -0.2224 0.1191 0.1191 0.1342 0.1342 0.3335 0.3335 0.3564 0.3564 0.7105 0.7105 0.7423 0.7423 1.0439 1.0439 1.0505 1.0505 6.9795 6.9795 6.9845 6.9845 7.8440 7.8440 7.8458 7.8458 9.0271 9.0271 k = 0.5000 0.3689 0.1226 ( 5362 PWs) bands (ev): -12.0549 -12.0549 -12.0545 -12.0545 -11.7528 -11.7528 -11.7523 -11.7523 -3.7308 -3.7308 -3.7095 -3.7095 -3.6037 -3.6037 -3.5646 -3.5646 -3.3566 -3.3566 -3.3253 -3.3253 -3.2982 -3.2982 -3.2640 -3.2640 -3.0533 -3.0533 -3.0411 -3.0411 -1.8644 -1.8644 -1.8558 -1.8558 -0.2286 -0.2286 -0.2109 -0.2109 0.1251 0.1251 0.1373 0.1373 0.3442 0.3442 0.3678 0.3678 0.6963 0.6963 0.7260 0.7260 1.0423 1.0423 1.0479 1.0479 6.9716 6.9716 6.9758 6.9758 7.8145 7.8145 7.8161 7.8161 8.9966 8.9966 k = 0.5000 0.3689 0.1022 ( 5366 PWs) bands (ev): -12.0570 -12.0570 -12.0567 -12.0567 -11.7507 -11.7507 -11.7503 -11.7503 -3.7299 -3.7299 -3.7119 -3.7119 -3.6010 -3.6010 -3.5681 -3.5681 -3.3529 -3.3529 -3.3260 -3.3260 -3.2988 -3.2988 -3.2695 -3.2695 -3.0519 -3.0519 -3.0418 -3.0418 -1.8637 -1.8637 -1.8565 -1.8565 -0.2165 -0.2165 -0.2016 -0.2016 0.1299 0.1299 0.1397 0.1397 0.3565 0.3565 0.3796 0.3796 0.6829 0.6829 0.7100 0.7100 1.0410 1.0410 1.0457 1.0457 6.9643 6.9643 6.9678 6.9678 7.7895 7.7895 7.7908 7.7908 8.9705 8.9705 k = 0.5000 0.3689 0.0817 ( 5358 PWs) bands (ev): -12.0587 -12.0587 -12.0585 -12.0585 -11.7489 -11.7489 -11.7486 -11.7486 -3.7288 -3.7288 -3.7143 -3.7143 -3.5982 -3.5982 -3.5716 -3.5716 -3.3491 -3.3491 -3.3270 -3.3270 -3.2988 -3.2988 -3.2747 -3.2747 -3.0506 -3.0506 -3.0425 -3.0425 -1.8632 -1.8632 -1.8574 -1.8574 -0.2064 -0.2064 -0.1944 -0.1944 0.1338 0.1338 0.1413 0.1413 0.3696 0.3696 0.3909 0.3909 0.6711 0.6711 0.6947 0.6947 1.0399 1.0399 1.0437 1.0437 6.9580 6.9580 6.9607 6.9607 7.7690 7.7690 7.7700 7.7700 8.9491 8.9491 k = 0.5000 0.3689 0.0613 ( 5352 PWs) bands (ev): -12.0600 -12.0600 -12.0599 -12.0599 -11.7475 -11.7475 -11.7472 -11.7472 -3.7275 -3.7275 -3.7165 -3.7165 -3.5952 -3.5952 -3.5751 -3.5751 -3.3454 -3.3454 -3.3284 -3.3284 -3.2981 -3.2981 -3.2796 -3.2796 -3.0494 -3.0494 -3.0433 -3.0433 -1.8627 -1.8627 -1.8584 -1.8584 -0.1983 -0.1983 -0.1893 -0.1893 0.1368 0.1368 0.1423 0.1423 0.3825 0.3825 0.4005 0.4005 0.6614 0.6614 0.6808 0.6808 1.0392 1.0392 1.0421 1.0421 6.9529 6.9529 6.9550 6.9550 7.7530 7.7530 7.7537 7.7537 8.9324 8.9324 k = 0.5000 0.3689 0.0409 ( 5340 PWs) bands (ev): -12.0610 -12.0610 -12.0609 -12.0609 -11.7464 -11.7464 -11.7463 -11.7463 -3.7260 -3.7260 -3.7187 -3.7187 -3.5920 -3.5920 -3.5786 -3.5786 -3.3419 -3.3419 -3.3303 -3.3303 -3.2966 -3.2966 -3.2841 -3.2841 -3.0482 -3.0482 -3.0441 -3.0441 -1.8622 -1.8622 -1.8593 -1.8593 -0.1921 -0.1921 -0.1861 -0.1861 0.1391 0.1391 0.1427 0.1427 0.3941 0.3941 0.4073 0.4073 0.6548 0.6548 0.6687 0.6687 1.0389 1.0389 1.0407 1.0407 6.9492 6.9492 6.9506 6.9506 7.7416 7.7416 7.7421 7.7421 8.9206 8.9206 k = 0.5000 0.3689 0.0204 ( 5342 PWs) bands (ev): -12.0615 -12.0615 -12.0615 -12.0615 -11.7458 -11.7458 -11.7457 -11.7457 -3.7244 -3.7244 -3.7207 -3.7207 -3.5887 -3.5887 -3.5820 -3.5820 -3.3385 -3.3385 -3.3327 -3.3327 -3.2944 -3.2944 -3.2881 -3.2881 -3.0470 -3.0470 -3.0450 -3.0450 -1.8617 -1.8617 -1.8602 -1.8602 -0.1878 -0.1878 -0.1848 -0.1848 0.1408 0.1408 0.1426 0.1426 0.4033 0.4033 0.4103 0.4103 0.6521 0.6521 0.6594 0.6594 1.0388 1.0388 1.0398 1.0398 6.9471 6.9471 6.9478 6.9478 7.7348 7.7348 7.7350 7.7350 8.9136 8.9136 k = 0.5000 0.3689-0.0000 ( 5334 PWs) bands (ev): -12.0617 -12.0617 -12.0617 -12.0617 -11.7456 -11.7456 -11.7456 -11.7456 -3.7226 -3.7226 -3.7226 -3.7226 -3.5854 -3.5854 -3.5854 -3.5854 -3.3354 -3.3354 -3.3354 -3.3354 -3.2915 -3.2915 -3.2915 -3.2915 -3.0460 -3.0460 -3.0460 -3.0460 -1.8610 -1.8610 -1.8610 -1.8610 -0.1853 -0.1853 -0.1853 -0.1853 0.1420 0.1420 0.1420 0.1420 0.4089 0.4089 0.4089 0.4089 0.6536 0.6536 0.6536 0.6536 1.0391 1.0391 1.0391 1.0391 6.9466 6.9466 6.9466 6.9466 7.7326 7.7326 7.7326 7.7326 8.9116 8.9116 k = 0.0000 0.0000 0.8421 ( 5396 PWs) bands (ev): -11.9578 -11.9578 -11.9578 -11.9578 -11.8392 -11.8392 -11.8379 -11.8379 -3.7293 -3.7293 -3.6813 -3.6813 -3.5243 -3.5243 -3.5172 -3.5172 -3.3447 -3.3447 -3.2948 -3.2948 -3.1974 -3.1974 -3.1162 -3.1162 -3.0799 -3.0799 -3.0010 -3.0010 -2.3710 -2.3710 -2.3447 -2.3447 -0.8113 -0.8113 -0.8105 -0.8105 0.0187 0.0187 0.0304 0.0304 0.7407 0.7407 0.7625 0.7625 1.0680 1.0680 1.0818 1.0818 1.2068 1.2068 1.2114 1.2114 6.7647 6.7647 6.7840 6.7840 9.6529 9.6529 9.6559 9.6559 9.9124 9.9124 k = 0.0156 0.0115 0.8421 ( 5390 PWs) bands (ev): -11.9578 -11.9578 -11.9577 -11.9577 -11.8393 -11.8391 -11.8379 -11.8378 -3.7303 -3.7282 -3.6850 -3.6774 -3.5297 -3.5203 -3.5189 -3.5141 -3.3481 -3.3413 -3.2973 -3.2922 -3.1977 -3.1974 -3.1169 -3.1168 -3.0834 -3.0755 -3.0039 -2.9982 -2.3722 -2.3688 -2.3449 -2.3435 -0.8139 -0.8136 -0.8136 -0.8118 0.0219 0.0223 0.0323 0.0352 0.7397 0.7401 0.7605 0.7630 1.0679 1.0681 1.0814 1.0822 1.2050 1.2072 1.2106 1.2106 6.7649 6.7653 6.7837 6.7850 9.6514 9.6517 9.6542 9.6543 9.9133 9.9153 k = 0.0312 0.0231 0.8421 ( 5388 PWs) bands (ev): -11.9579 -11.9579 -11.9577 -11.9577 -11.8394 -11.8390 -11.8379 -11.8378 -3.7312 -3.7269 -3.6886 -3.6735 -3.5351 -3.5234 -3.5136 -3.5110 -3.3516 -3.3380 -3.2998 -3.2896 -3.1980 -3.1974 -3.1192 -3.1180 -3.0855 -3.0706 -3.0071 -2.9957 -2.3723 -2.3654 -2.3440 -2.3413 -0.8217 -0.8205 -0.8205 -0.8176 0.0317 0.0324 0.0408 0.0466 0.7372 0.7380 0.7569 0.7619 1.0680 1.0683 1.0811 1.0827 1.2017 1.2060 1.2083 1.2083 6.7658 6.7666 6.7841 6.7866 9.6473 9.6479 9.6494 9.6496 9.9181 9.9219 k = 0.0469 0.0346 0.8421 ( 5382 PWs) bands (ev): -11.9579 -11.9579 -11.9576 -11.9576 -11.8395 -11.8390 -11.8379 -11.8378 -3.7319 -3.7254 -3.6922 -3.6694 -3.5405 -3.5266 -3.5084 -3.5079 -3.3550 -3.3348 -3.3023 -3.2872 -3.1984 -3.1975 -3.1232 -3.1197 -3.0860 -3.0657 -3.0103 -2.9934 -2.3713 -2.3611 -2.3422 -2.3382 -0.8335 -0.8315 -0.8314 -0.8275 0.0476 0.0487 0.0556 0.0641 0.7330 0.7342 0.7516 0.7592 1.0682 1.0686 1.0808 1.0831 1.1970 1.2034 1.2044 1.2045 6.7674 6.7686 6.7852 6.7889 9.6410 9.6416 9.6417 9.6422 9.9265 9.9320 k = 0.0625 0.0461 0.8421 ( 5382 PWs) bands (ev): -11.9580 -11.9579 -11.9576 -11.9576 -11.8396 -11.8389 -11.8380 -11.8378 -3.7324 -3.7239 -3.6956 -3.6654 -3.5458 -3.5298 -3.5048 -3.5034 -3.3584 -3.3318 -3.3048 -3.2848 -3.1990 -3.1978 -3.1285 -3.1217 -3.0854 -3.0608 -3.0137 -2.9914 -2.3694 -2.3559 -2.3394 -2.3343 -0.8485 -0.8458 -0.8456 -0.8409 0.0690 0.0703 0.0759 0.0868 0.7271 0.7288 0.7447 0.7548 1.0685 1.0691 1.0805 1.0836 1.1910 1.1993 1.1993 1.1996 6.7697 6.7712 6.7868 6.7918 9.6315 9.6325 9.6325 9.6332 9.9382 9.9454 k = 0.0781 0.0576 0.8421 ( 5380 PWs) bands (ev): -11.9580 -11.9580 -11.9575 -11.9575 -11.8397 -11.8388 -11.8380 -11.8378 -3.7328 -3.7223 -3.6988 -3.6613 -3.5509 -3.5330 -3.5018 -3.4987 -3.3617 -3.3290 -3.3070 -3.2825 -3.1997 -3.1981 -3.1346 -3.1237 -3.0840 -3.0563 -3.0172 -2.9895 -2.3666 -2.3500 -2.3358 -2.3297 -0.8658 -0.8627 -0.8624 -0.8570 0.0950 0.0967 0.1010 0.1142 0.7195 0.7215 0.7360 0.7484 1.0690 1.0696 1.0804 1.0841 1.1839 1.1929 1.1929 1.1946 6.7724 6.7744 6.7890 6.7952 9.6195 9.6211 9.6224 9.6230 9.9531 9.9609 k = 0.0938 0.0692 0.8421 ( 5380 PWs) bands (ev): -11.9580 -11.9580 -11.9574 -11.9574 -11.8398 -11.8387 -11.8380 -11.8378 -3.7330 -3.7206 -3.7019 -3.6571 -3.5559 -3.5362 -3.4988 -3.4942 -3.3649 -3.3265 -3.3091 -3.2803 -3.2004 -3.1985 -3.1412 -3.1257 -3.0820 -3.0521 -3.0207 -2.9880 -2.3631 -2.3434 -2.3316 -2.3246 -0.8848 -0.8814 -0.8808 -0.8748 0.1248 0.1268 0.1300 0.1453 0.7100 0.7124 0.7254 0.7401 1.0696 1.0702 1.0803 1.0847 1.1760 1.1856 1.1856 1.1888 6.7757 6.7781 6.7916 6.7990 9.6061 9.6085 9.6110 9.6114 9.9708 9.9766 k = 0.1094 0.0807 0.8421 ( 5380 PWs) bands (ev): -11.9581 -11.9580 -11.9574 -11.9574 -11.8399 -11.8387 -11.8381 -11.8379 -3.7330 -3.7189 -3.7049 -3.6531 -3.5606 -3.5394 -3.4958 -3.4902 -3.3679 -3.3241 -3.3110 -3.2782 -3.2012 -3.1988 -3.1480 -3.1276 -3.0798 -3.0483 -3.0243 -2.9866 -2.3590 -2.3364 -2.3268 -2.3191 -0.9044 -0.9009 -0.9001 -0.8936 0.1577 0.1600 0.1622 0.1793 0.6985 0.7012 0.7128 0.7297 1.0704 1.0709 1.0803 1.0852 1.1676 1.1775 1.1775 1.1823 6.7792 6.7821 6.7944 6.8031 9.5921 9.5953 9.5988 9.5989 9.9909 9.9947 k = 0.1250 0.0922 0.8421 ( 5378 PWs) bands (ev): -11.9581 -11.9580 -11.9573 -11.9573 -11.8399 -11.8386 -11.8381 -11.8379 -3.7328 -3.7172 -3.7078 -3.6490 -3.5651 -3.5426 -3.4929 -3.4865 -3.3707 -3.3220 -3.3127 -3.2763 -3.2020 -3.1992 -3.1547 -3.1294 -3.0773 -3.0449 -3.0278 -2.9855 -2.3545 -2.3292 -2.3218 -2.3135 -0.9240 -0.9205 -0.9194 -0.9126 0.1928 0.1954 0.1967 0.2155 0.6848 0.6879 0.6981 0.7169 1.0715 1.0718 1.0805 1.0858 1.1589 1.1690 1.1690 1.1754 6.7828 6.7863 6.7974 6.8072 9.5778 9.5820 9.5859 9.5862 10.0133 10.0151 k = 0.1406 0.1038 0.8421 ( 5374 PWs) bands (ev): -11.9581 -11.9581 -11.9573 -11.9573 -11.8400 -11.8386 -11.8382 -11.8379 -3.7325 -3.7156 -3.7105 -3.6451 -3.5692 -3.5457 -3.4901 -3.4832 -3.3733 -3.3203 -3.3141 -3.2745 -3.2029 -3.1994 -3.1613 -3.1311 -3.0747 -3.0420 -3.0314 -2.9845 -2.3498 -2.3220 -2.3166 -2.3080 -0.9429 -0.9395 -0.9380 -0.9310 0.2296 0.2324 0.2328 0.2533 0.6689 0.6724 0.6811 0.7016 1.0727 1.0728 1.0808 1.0865 1.1503 1.1602 1.1603 1.1684 6.7865 6.7905 6.8004 6.8114 9.5639 9.5690 9.5731 9.5739 10.0373 10.0375 k = 0.1562 0.1153 0.8421 ( 5370 PWs) bands (ev): -11.9581 -11.9581 -11.9572 -11.9572 -11.8401 -11.8385 -11.8382 -11.8379 -3.7320 -3.7140 -3.7131 -3.6415 -3.5729 -3.5486 -3.4874 -3.4805 -3.3756 -3.3188 -3.3151 -3.2729 -3.2037 -3.1995 -3.1675 -3.1326 -3.0720 -3.0394 -3.0349 -2.9837 -2.3452 -2.3150 -2.3115 -2.3028 -0.9605 -0.9573 -0.9555 -0.9483 0.2673 0.2700 0.2705 0.2921 0.6507 0.6545 0.6618 0.6837 1.0740 1.0742 1.0812 1.0871 1.1420 1.1515 1.1517 1.1616 6.7901 6.7947 6.8032 6.8153 9.5508 9.5569 9.5608 9.5621 10.0608 10.0630 k = 0.1719 0.1268 0.8421 ( 5370 PWs) bands (ev): -11.9581 -11.9581 -11.9572 -11.9572 -11.8401 -11.8384 -11.8382 -11.8380 -3.7313 -3.7155 -3.7126 -3.6381 -3.5762 -3.5514 -3.4849 -3.4784 -3.3776 -3.3177 -3.3159 -3.2716 -3.2045 -3.1994 -3.1732 -3.1339 -3.0692 -3.0383 -3.0373 -2.9831 -2.3408 -2.3084 -2.3068 -2.2981 -0.9762 -0.9734 -0.9711 -0.9639 0.3055 0.3076 0.3090 0.3313 0.6300 0.6342 0.6401 0.6632 1.0753 1.0759 1.0818 1.0878 1.1344 1.1432 1.1435 1.1553 6.7934 6.7986 6.8058 6.8190 9.5390 9.5459 9.5495 9.5513 10.0850 10.0891 k = 0.1875 0.1383 0.8421 ( 5376 PWs) bands (ev): -11.9581 -11.9581 -11.9571 -11.9571 -11.8402 -11.8384 -11.8382 -11.8380 -3.7305 -3.7178 -3.7113 -3.6350 -3.5790 -3.5539 -3.4825 -3.4768 -3.3793 -3.3169 -3.3164 -3.2704 -3.2051 -3.1990 -3.1785 -3.1350 -3.0664 -3.0417 -3.0356 -2.9827 -2.3369 -2.3026 -2.3025 -2.2941 -0.9897 -0.9873 -0.9845 -0.9772 0.3435 0.3450 0.3474 0.3703 0.6070 0.6117 0.6160 0.6400 1.0767 1.0778 1.0825 1.0885 1.1277 1.1356 1.1359 1.1496 6.7964 6.8021 6.8079 6.8221 9.5287 9.5366 9.5396 9.5420 10.1090 10.1150 k = 0.2031 0.1499 0.8421 ( 5368 PWs) bands (ev): -11.9581 -11.9581 -11.9571 -11.9571 -11.8402 -11.8383 -11.8383 -11.8381 -3.7294 -3.7199 -3.7103 -3.6324 -3.5812 -3.5560 -3.4804 -3.4757 -3.3806 -3.3166 -3.3164 -3.2695 -3.2057 -3.1983 -3.1832 -3.1359 -3.0635 -3.0450 -3.0342 -2.9823 -2.3337 -2.2990 -2.2974 -2.2911 -1.0004 -0.9986 -0.9954 -0.9880 0.3810 0.3816 0.3853 0.4086 0.5818 0.5871 0.5896 0.6143 1.0783 1.0797 1.0831 1.0891 1.1223 1.1289 1.1292 1.1449 6.7988 6.8052 6.8096 6.8248 9.5204 9.5290 9.5315 9.5344 10.1312 10.1392 k = 0.2188 0.1614 0.8421 ( 5360 PWs) bands (ev): -11.9581 -11.9581 -11.9571 -11.9571 -11.8403 -11.8383 -11.8383 -11.8381 -3.7282 -3.7219 -3.7095 -3.6305 -3.5828 -3.5576 -3.4785 -3.4753 -3.3816 -3.3166 -3.3162 -3.2688 -3.2061 -3.1971 -3.1872 -3.1365 -3.0606 -3.0482 -3.0333 -2.9820 -2.3312 -2.2964 -2.2933 -2.2891 -1.0082 -1.0069 -1.0033 -0.9960 0.4165 0.4175 0.4221 0.4455 0.5547 0.5610 0.5613 0.5861 1.0799 1.0816 1.0835 1.0897 1.1186 1.1236 1.1237 1.1414 6.8005 6.8076 6.8106 6.8267 9.5143 9.5236 9.5253 9.5288 10.1499 10.1596 k = 0.2344 0.1729 0.8421 ( 5372 PWs) bands (ev): -11.9581 -11.9581 -11.9571 -11.9571 -11.8403 -11.8383 -11.8382 -11.8381 -3.7269 -3.7237 -3.7090 -3.6293 -3.5838 -3.5587 -3.4771 -3.4754 -3.3822 -3.3165 -3.3162 -3.2684 -3.2064 -3.1955 -3.1906 -3.1369 -3.0576 -3.0514 -3.0327 -2.9819 -2.3297 -2.2948 -2.2904 -2.2883 -1.0128 -1.0122 -1.0082 -1.0008 0.4472 0.4520 0.4567 0.4782 0.5284 0.5319 0.5355 0.5563 1.0815 1.0830 1.0834 1.0900 1.1168 1.1195 1.1200 1.1392 6.8016 6.8095 6.8109 6.8279 9.5106 9.5205 9.5214 9.5253 10.1626 10.1735 k = 0.2500 0.1845 0.8421 ( 5372 PWs) bands (ev): -11.9581 -11.9581 -11.9571 -11.9570 -11.8403 -11.8383 -11.8382 -11.8382 -3.7254 -3.7254 -3.7089 -3.6288 -3.5842 -3.5590 -3.4760 -3.4760 -3.3824 -3.3163 -3.3163 -3.2683 -3.2064 -3.1934 -3.1934 -3.1370 -3.0545 -3.0545 -3.0325 -2.9819 -2.3292 -2.2942 -2.2887 -2.2887 -1.0142 -1.0142 -1.0098 -1.0025 0.4632 0.4791 0.4815 0.4815 0.5112 0.5214 0.5278 0.5278 1.0827 1.0827 1.0836 1.0901 1.1172 1.1172 1.1187 1.1385 6.8020 6.8106 6.8106 6.8283 9.5093 9.5197 9.5197 9.5242 10.1671 10.1786 Writing output data file ZnCl2.save init_run : 0.54s CPU 1.13s WALL ( 1 calls) electrons : 549.67s CPU 569.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 549.66s CPU 569.03s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.03s WALL ( 1 calls) newd : 0.23s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 291 calls) cegterg : 521.45s CPU 539.40s WALL ( 705 calls) Called by sum_band: Called by *egterg: h_psi : 319.57s CPU 342.53s WALL ( 11638 calls) s_psi : 28.70s CPU 28.79s WALL ( 11638 calls) g_psi : 0.62s CPU 0.60s WALL ( 10642 calls) cdiaghg : 136.17s CPU 132.07s WALL ( 10933 calls) cegterg:over : 23.25s CPU 22.01s WALL ( 10642 calls) cegterg:upda : 9.20s CPU 12.64s WALL ( 10642 calls) cegterg:last : 7.64s CPU 8.30s WALL ( 1578 calls) Called by h_psi: h_psi:vloc : 281.95s CPU 304.01s WALL ( 11638 calls) h_psi:vnl : 37.44s CPU 38.07s WALL ( 11638 calls) add_vuspsi : 17.99s CPU 20.57s WALL ( 11638 calls) General routines calbec : 19.42s CPU 17.47s WALL ( 11638 calls) fft : 0.03s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 268.66s CPU 288.06s WALL ( 1234124 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.16s WALL ( 582 calls) Parallel routines fft_scatter : 166.03s CPU 175.55s WALL ( 1234147 calls) PWSCF : 9m39.33s CPU 10m18.69s WALL This run was terminated on: 12:39: 1 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=