Program PWSCF v.5.1.1 starts on 18Jun2016 at 8:11:31 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cu3SbS4.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 44 12 1390 906 140 Max 59 45 13 1392 932 143 Sum 2809 2133 619 66767 44271 6795 bravais-lattice index = 14 lattice parameter (alat) = 12.4509 a.u. unit-cell volume = 1052.2234 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.450877 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.666006 celldm(5)= -0.666006 celldm(6)= 0.332011 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.332011 0.943275 0.000000 ) a(3) = ( -0.666006 -0.471638 0.577923 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.351977 0.865168 ) b(2) = ( 0.000000 1.060136 0.865168 ) b(3) = ( 0.000000 0.000000 1.730336 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Sb 5.00 121.76000 Sb( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 286 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0000000 0.0000000 0.0205992), wk = 0.0034965 k( 3) = ( 0.0000000 0.0000000 0.0411985), wk = 0.0034965 k( 4) = ( 0.0000000 0.0000000 0.0617977), wk = 0.0034965 k( 5) = ( 0.0000000 0.0000000 0.0823969), wk = 0.0034965 k( 6) = ( 0.0000000 0.0000000 0.1029962), wk = 0.0034965 k( 7) = ( 0.0000000 0.0000000 0.1235954), wk = 0.0034965 k( 8) = ( 0.0000000 0.0000000 0.1441946), wk = 0.0034965 k( 9) = ( 0.0000000 0.0000000 0.1647939), wk = 0.0034965 k( 10) = ( 0.0000000 0.0000000 0.1853931), wk = 0.0034965 k( 11) = ( 0.0000000 0.0000000 0.2059924), wk = 0.0034965 k( 12) = ( 0.0000000 0.0000000 0.2265916), wk = 0.0034965 k( 13) = ( 0.0000000 0.0000000 0.2471908), wk = 0.0034965 k( 14) = ( 0.0000000 0.0000000 0.2677901), wk = 0.0034965 k( 15) = ( 0.0000000 0.0000000 0.2883893), wk = 0.0034965 k( 16) = ( 0.0000000 0.0000000 0.3089885), wk = 0.0034965 k( 17) = ( 0.0000000 0.0000000 0.3295878), wk = 0.0034965 k( 18) = ( 0.0000000 0.0000000 0.3501870), wk = 0.0034965 k( 19) = ( 0.0000000 0.0000000 0.3707862), wk = 0.0034965 k( 20) = ( 0.0000000 0.0000000 0.3913855), wk = 0.0034965 k( 21) = ( 0.0000000 0.0000000 0.4119847), wk = 0.0034965 k( 22) = ( 0.0000000 0.0000000 0.4325840), wk = 0.0034965 k( 23) = ( 0.0000000 0.0000000 0.4531832), wk = 0.0034965 k( 24) = ( 0.0000000 0.0000000 0.4737824), wk = 0.0034965 k( 25) = ( 0.0000000 0.0000000 0.4943817), wk = 0.0034965 k( 26) = ( 0.0000000 0.0000000 0.5149809), wk = 0.0034965 k( 27) = ( 0.0000000 0.0000000 0.5355801), wk = 0.0034965 k( 28) = ( 0.0000000 0.0000000 0.5561794), wk = 0.0034965 k( 29) = ( 0.0000000 0.0000000 0.5767786), wk = 0.0034965 k( 30) = ( 0.0000000 0.0000000 0.5973778), wk = 0.0034965 k( 31) = ( 0.0000000 0.0000000 0.6179771), wk = 0.0034965 k( 32) = ( 0.0000000 0.0000000 0.6385763), wk = 0.0034965 k( 33) = ( 0.0000000 0.0000000 0.6591755), wk = 0.0034965 k( 34) = ( 0.0000000 0.0000000 0.6797748), wk = 0.0034965 k( 35) = ( 0.0000000 0.0000000 0.7003740), wk = 0.0034965 k( 36) = ( 0.0000000 0.0000000 0.7209733), wk = 0.0034965 k( 37) = ( 0.0000000 0.0000000 0.7415725), wk = 0.0034965 k( 38) = ( 0.0000000 0.0000000 0.7621717), wk = 0.0034965 k( 39) = ( 0.0000000 0.0000000 0.7827710), wk = 0.0034965 k( 40) = ( 0.0000000 0.0000000 0.8033702), wk = 0.0034965 k( 41) = ( 0.0000000 0.0000000 0.8239694), wk = 0.0034965 k( 42) = ( 0.0000000 0.0000000 0.8445687), wk = 0.0034965 k( 43) = ( 0.0000000 0.0000000 0.8651679), wk = 0.0034965 k( 44) = ( 0.0000000 0.0000000 0.8651679), wk = 0.0034965 k( 45) = ( -0.0113975 0.0160945 0.8651679), wk = 0.0034965 k( 46) = ( -0.0227950 0.0321890 0.8651679), wk = 0.0034965 k( 47) = ( -0.0341924 0.0482836 0.8651679), wk = 0.0034965 k( 48) = ( -0.0455899 0.0643781 0.8651679), wk = 0.0034965 k( 49) = ( -0.0569874 0.0804726 0.8651679), wk = 0.0034965 k( 50) = ( -0.0683848 0.0965671 0.8651679), wk = 0.0034965 k( 51) = ( -0.0797823 0.1126616 0.8651679), wk = 0.0034965 k( 52) = ( -0.0911798 0.1287561 0.8651679), wk = 0.0034965 k( 53) = ( -0.1025773 0.1448507 0.8651679), wk = 0.0034965 k( 54) = ( -0.1139748 0.1609452 0.8651679), wk = 0.0034965 k( 55) = ( -0.1253722 0.1770397 0.8651679), wk = 0.0034965 k( 56) = ( -0.1253722 0.1770397 0.8651679), wk = 0.0034965 k( 57) = ( -0.1338865 0.1890628 0.8504354), wk = 0.0034965 k( 58) = ( -0.1424008 0.2010859 0.8357028), wk = 0.0034965 k( 59) = ( -0.1509150 0.2131090 0.8209703), wk = 0.0034965 k( 60) = ( -0.1594293 0.2251321 0.8062377), wk = 0.0034965 k( 61) = ( -0.1679436 0.2371552 0.7915052), wk = 0.0034965 k( 62) = ( -0.1764578 0.2491783 0.7767727), wk = 0.0034965 k( 63) = ( -0.1849721 0.2612014 0.7620401), wk = 0.0034965 k( 64) = ( -0.1934864 0.2732245 0.7473076), wk = 0.0034965 k( 65) = ( -0.2020006 0.2852476 0.7325750), wk = 0.0034965 k( 66) = ( -0.2105149 0.2972708 0.7178425), wk = 0.0034965 k( 67) = ( -0.2190292 0.3092938 0.7031099), wk = 0.0034965 k( 68) = ( -0.2275434 0.3213170 0.6883774), wk = 0.0034965 k( 69) = ( -0.2360577 0.3333401 0.6736449), wk = 0.0034965 k( 70) = ( -0.2445720 0.3453632 0.6589123), wk = 0.0034965 k( 71) = ( -0.2530862 0.3573863 0.6441798), wk = 0.0034965 k( 72) = ( -0.2616005 0.3694094 0.6294472), wk = 0.0034965 k( 73) = ( -0.2701148 0.3814325 0.6147147), wk = 0.0034965 k( 74) = ( -0.2786290 0.3934556 0.5999822), wk = 0.0034965 k( 75) = ( -0.2871433 0.4054787 0.5852496), wk = 0.0034965 k( 76) = ( -0.2956576 0.4175018 0.5705171), wk = 0.0034965 k( 77) = ( -0.3041719 0.4295249 0.5557845), wk = 0.0034965 k( 78) = ( -0.3126861 0.4415480 0.5410520), wk = 0.0034965 k( 79) = ( -0.3126861 0.4415480 0.5410520), wk = 0.0034965 k( 80) = ( -0.3042351 0.4296143 0.5264290), wk = 0.0034965 k( 81) = ( -0.2957842 0.4176805 0.5118059), wk = 0.0034965 k( 82) = ( -0.2873332 0.4057468 0.4971829), wk = 0.0034965 k( 83) = ( -0.2788822 0.3938131 0.4825599), wk = 0.0034965 k( 84) = ( -0.2704312 0.3818794 0.4679369), wk = 0.0034965 k( 85) = ( -0.2619803 0.3699456 0.4533138), wk = 0.0034965 k( 86) = ( -0.2535293 0.3580119 0.4386908), wk = 0.0034965 k( 87) = ( -0.2450783 0.3460782 0.4240678), wk = 0.0034965 k( 88) = ( -0.2366273 0.3341444 0.4094447), wk = 0.0034965 k( 89) = ( -0.2281764 0.3222107 0.3948217), wk = 0.0034965 k( 90) = ( -0.2197254 0.3102770 0.3801987), wk = 0.0034965 k( 91) = ( -0.2112744 0.2983432 0.3655757), wk = 0.0034965 k( 92) = ( -0.2028234 0.2864095 0.3509526), wk = 0.0034965 k( 93) = ( -0.1943725 0.2744758 0.3363296), wk = 0.0034965 k( 94) = ( -0.1859215 0.2625420 0.3217066), wk = 0.0034965 k( 95) = ( -0.1774705 0.2506083 0.3070836), wk = 0.0034965 k( 96) = ( -0.1690195 0.2386746 0.2924605), wk = 0.0034965 k( 97) = ( -0.1605686 0.2267409 0.2778375), wk = 0.0034965 k( 98) = ( -0.1521176 0.2148071 0.2632145), wk = 0.0034965 k( 99) = ( -0.1436666 0.2028734 0.2485914), wk = 0.0034965 k( 100) = ( -0.1352156 0.1909397 0.2339684), wk = 0.0034965 k( 101) = ( -0.1267646 0.1790059 0.2193454), wk = 0.0034965 k( 102) = ( -0.1183137 0.1670722 0.2047224), wk = 0.0034965 k( 103) = ( -0.1098627 0.1551385 0.1900993), wk = 0.0034965 k( 104) = ( -0.1014117 0.1432048 0.1754763), wk = 0.0034965 k( 105) = ( -0.0929607 0.1312710 0.1608533), wk = 0.0034965 k( 106) = ( -0.0845098 0.1193373 0.1462303), wk = 0.0034965 k( 107) = ( -0.0760588 0.1074036 0.1316072), wk = 0.0034965 k( 108) = ( -0.0676078 0.0954698 0.1169842), wk = 0.0034965 k( 109) = ( -0.0591568 0.0835361 0.1023612), wk = 0.0034965 k( 110) = ( -0.0507059 0.0716024 0.0877382), wk = 0.0034965 k( 111) = ( -0.0422549 0.0596686 0.0731151), wk = 0.0034965 k( 112) = ( -0.0338039 0.0477349 0.0584921), wk = 0.0034965 k( 113) = ( -0.0253529 0.0358012 0.0438691), wk = 0.0034965 k( 114) = ( -0.0169019 0.0238675 0.0292460), wk = 0.0034965 k( 115) = ( -0.0084510 0.0119337 0.0146230), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 118) = ( 0.0166667 0.0118026 0.0000000), wk = 0.0034965 k( 119) = ( 0.0333333 0.0236053 0.0000000), wk = 0.0034965 k( 120) = ( 0.0500000 0.0354079 0.0000000), wk = 0.0034965 k( 121) = ( 0.0666667 0.0472106 0.0000000), wk = 0.0034965 k( 122) = ( 0.0833333 0.0590132 0.0000000), wk = 0.0034965 k( 123) = ( 0.1000000 0.0708159 0.0000000), wk = 0.0034965 k( 124) = ( 0.1166667 0.0826185 0.0000000), wk = 0.0034965 k( 125) = ( 0.1333333 0.0944212 0.0000000), wk = 0.0034965 k( 126) = ( 0.1500000 0.1062238 0.0000000), wk = 0.0034965 k( 127) = ( 0.1666667 0.1180265 0.0000000), wk = 0.0034965 k( 128) = ( 0.1833333 0.1298291 0.0000000), wk = 0.0034965 k( 129) = ( 0.2000000 0.1416318 0.0000000), wk = 0.0034965 k( 130) = ( 0.2166667 0.1534344 0.0000000), wk = 0.0034965 k( 131) = ( 0.2333333 0.1652371 0.0000000), wk = 0.0034965 k( 132) = ( 0.2500000 0.1770397 0.0000000), wk = 0.0034965 k( 133) = ( 0.2666667 0.1888424 0.0000000), wk = 0.0034965 k( 134) = ( 0.2833333 0.2006450 0.0000000), wk = 0.0034965 k( 135) = ( 0.3000000 0.2124476 0.0000000), wk = 0.0034965 k( 136) = ( 0.3166667 0.2242503 0.0000000), wk = 0.0034965 k( 137) = ( 0.3333333 0.2360529 0.0000000), wk = 0.0034965 k( 138) = ( 0.3500000 0.2478556 0.0000000), wk = 0.0034965 k( 139) = ( 0.3666667 0.2596582 0.0000000), wk = 0.0034965 k( 140) = ( 0.3833333 0.2714609 0.0000000), wk = 0.0034965 k( 141) = ( 0.4000000 0.2832635 0.0000000), wk = 0.0034965 k( 142) = ( 0.4166667 0.2950662 0.0000000), wk = 0.0034965 k( 143) = ( 0.4333333 0.3068688 0.0000000), wk = 0.0034965 k( 144) = ( 0.4500000 0.3186715 0.0000000), wk = 0.0034965 k( 145) = ( 0.4666667 0.3304741 0.0000000), wk = 0.0034965 k( 146) = ( 0.4833333 0.3422768 0.0000000), wk = 0.0034965 k( 147) = ( 0.5000000 0.3540794 0.0000000), wk = 0.0034965 k( 148) = ( 0.5000000 0.3540794 0.0000000), wk = 0.0034965 k( 149) = ( 0.4914857 0.3661025 0.0147325), wk = 0.0034965 k( 150) = ( 0.4829715 0.3781256 0.0294651), wk = 0.0034965 k( 151) = ( 0.4744572 0.3901487 0.0441976), wk = 0.0034965 k( 152) = ( 0.4659429 0.4021718 0.0589302), wk = 0.0034965 k( 153) = ( 0.4574287 0.4141949 0.0736627), wk = 0.0034965 k( 154) = ( 0.4489144 0.4262180 0.0883952), wk = 0.0034965 k( 155) = ( 0.4404001 0.4382411 0.1031278), wk = 0.0034965 k( 156) = ( 0.4318859 0.4502642 0.1178603), wk = 0.0034965 k( 157) = ( 0.4233716 0.4622874 0.1325929), wk = 0.0034965 k( 158) = ( 0.4148573 0.4743105 0.1473254), wk = 0.0034965 k( 159) = ( 0.4063431 0.4863336 0.1620580), wk = 0.0034965 k( 160) = ( 0.3978288 0.4983567 0.1767905), wk = 0.0034965 k( 161) = ( 0.3893145 0.5103798 0.1915230), wk = 0.0034965 k( 162) = ( 0.3808003 0.5224029 0.2062556), wk = 0.0034965 k( 163) = ( 0.3722860 0.5344260 0.2209881), wk = 0.0034965 k( 164) = ( 0.3637717 0.5464491 0.2357207), wk = 0.0034965 k( 165) = ( 0.3552574 0.5584722 0.2504532), wk = 0.0034965 k( 166) = ( 0.3467432 0.5704953 0.2651857), wk = 0.0034965 k( 167) = ( 0.3382289 0.5825184 0.2799183), wk = 0.0034965 k( 168) = ( 0.3297146 0.5945415 0.2946508), wk = 0.0034965 k( 169) = ( 0.3212004 0.6065646 0.3093834), wk = 0.0034965 k( 170) = ( 0.3126861 0.6185877 0.3241159), wk = 0.0034965 k( 171) = ( 0.3126861 0.6185877 0.3241159), wk = 0.0034965 k( 172) = ( 0.2942928 0.6133807 0.3304964), wk = 0.0034965 k( 173) = ( 0.2758995 0.6081736 0.3368769), wk = 0.0034965 k( 174) = ( 0.2575062 0.6029666 0.3432573), wk = 0.0034965 k( 175) = ( 0.2391129 0.5977595 0.3496378), wk = 0.0034965 k( 176) = ( 0.2207196 0.5925525 0.3560183), wk = 0.0034965 k( 177) = ( 0.2023263 0.5873454 0.3623988), wk = 0.0034965 k( 178) = ( 0.1839330 0.5821384 0.3687792), wk = 0.0034965 k( 179) = ( 0.1655397 0.5769313 0.3751597), wk = 0.0034965 k( 180) = ( 0.1471464 0.5717243 0.3815402), wk = 0.0034965 k( 181) = ( 0.1287531 0.5665172 0.3879206), wk = 0.0034965 k( 182) = ( 0.1103598 0.5613102 0.3943011), wk = 0.0034965 k( 183) = ( 0.0919665 0.5561031 0.4006816), wk = 0.0034965 k( 184) = ( 0.0735732 0.5508961 0.4070621), wk = 0.0034965 k( 185) = ( 0.0551799 0.5456890 0.4134425), wk = 0.0034965 k( 186) = ( 0.0367866 0.5404820 0.4198230), wk = 0.0034965 k( 187) = ( 0.0183933 0.5352749 0.4262035), wk = 0.0034965 k( 188) = ( 0.0000000 0.5300679 0.4325840), wk = 0.0034965 k( 189) = ( 0.0000000 0.5300679 0.4325840), wk = 0.0034965 k( 190) = ( 0.0083333 0.5183003 0.4470034), wk = 0.0034965 k( 191) = ( 0.0166667 0.5065326 0.4614229), wk = 0.0034965 k( 192) = ( 0.0250000 0.4947650 0.4758423), wk = 0.0034965 k( 193) = ( 0.0333333 0.4829974 0.4902618), wk = 0.0034965 k( 194) = ( 0.0416667 0.4712298 0.5046813), wk = 0.0034965 k( 195) = ( 0.0500000 0.4594622 0.5191007), wk = 0.0034965 k( 196) = ( 0.0583333 0.4476946 0.5335202), wk = 0.0034965 k( 197) = ( 0.0666667 0.4359270 0.5479397), wk = 0.0034965 k( 198) = ( 0.0750000 0.4241594 0.5623591), wk = 0.0034965 k( 199) = ( 0.0833333 0.4123918 0.5767786), wk = 0.0034965 k( 200) = ( 0.0916667 0.4006242 0.5911981), wk = 0.0034965 k( 201) = ( 0.1000000 0.3888566 0.6056175), wk = 0.0034965 k( 202) = ( 0.1083333 0.3770890 0.6200370), wk = 0.0034965 k( 203) = ( 0.1166667 0.3653214 0.6344565), wk = 0.0034965 k( 204) = ( 0.1250000 0.3535538 0.6488759), wk = 0.0034965 k( 205) = ( 0.1333333 0.3417862 0.6632954), wk = 0.0034965 k( 206) = ( 0.1416667 0.3300186 0.6777149), wk = 0.0034965 k( 207) = ( 0.1500000 0.3182510 0.6921343), wk = 0.0034965 k( 208) = ( 0.1583333 0.3064834 0.7065538), wk = 0.0034965 k( 209) = ( 0.1666667 0.2947158 0.7209733), wk = 0.0034965 k( 210) = ( 0.1750000 0.2829482 0.7353927), wk = 0.0034965 k( 211) = ( 0.1833333 0.2711806 0.7498122), wk = 0.0034965 k( 212) = ( 0.1916667 0.2594129 0.7642317), wk = 0.0034965 k( 213) = ( 0.2000000 0.2476453 0.7786511), wk = 0.0034965 k( 214) = ( 0.2083333 0.2358777 0.7930706), wk = 0.0034965 k( 215) = ( 0.2166667 0.2241101 0.8074900), wk = 0.0034965 k( 216) = ( 0.2250000 0.2123425 0.8219095), wk = 0.0034965 k( 217) = ( 0.2333333 0.2005749 0.8363290), wk = 0.0034965 k( 218) = ( 0.2416667 0.1888073 0.8507484), wk = 0.0034965 k( 219) = ( 0.2500000 0.1770397 0.8651679), wk = 0.0034965 k( 220) = ( 0.2500000 0.1770397 0.8651679), wk = 0.0034965 k( 221) = ( 0.2638889 0.1868752 0.8531159), wk = 0.0034965 k( 222) = ( 0.2777778 0.1967108 0.8410639), wk = 0.0034965 k( 223) = ( 0.2916667 0.2065463 0.8290119), wk = 0.0034965 k( 224) = ( 0.3055556 0.2163819 0.8169599), wk = 0.0034965 k( 225) = ( 0.3194444 0.2262174 0.8049079), wk = 0.0034965 k( 226) = ( 0.3333333 0.2360529 0.7928559), wk = 0.0034965 k( 227) = ( 0.3472222 0.2458885 0.7808039), wk = 0.0034965 k( 228) = ( 0.3611111 0.2557240 0.7687519), wk = 0.0034965 k( 229) = ( 0.3750000 0.2655596 0.7566999), wk = 0.0034965 k( 230) = ( 0.3888889 0.2753951 0.7446479), wk = 0.0034965 k( 231) = ( 0.4027778 0.2852306 0.7325959), wk = 0.0034965 k( 232) = ( 0.4166667 0.2950662 0.7205439), wk = 0.0034965 k( 233) = ( 0.4305556 0.3049017 0.7084919), wk = 0.0034965 k( 234) = ( 0.4444444 0.3147373 0.6964398), wk = 0.0034965 k( 235) = ( 0.4583333 0.3245728 0.6843878), wk = 0.0034965 k( 236) = ( 0.4722222 0.3344083 0.6723358), wk = 0.0034965 k( 237) = ( 0.4861111 0.3442439 0.6602838), wk = 0.0034965 k( 238) = ( 0.5000000 0.3540794 0.6482318), wk = 0.0034965 k( 239) = ( 0.5000000 0.3540794 0.6482318), wk = 0.0034965 k( 240) = ( 0.5000000 0.3540794 0.6273211), wk = 0.0034965 k( 241) = ( 0.5000000 0.3540794 0.6064104), wk = 0.0034965 k( 242) = ( 0.5000000 0.3540794 0.5854997), wk = 0.0034965 k( 243) = ( 0.5000000 0.3540794 0.5645890), wk = 0.0034965 k( 244) = ( 0.5000000 0.3540794 0.5436783), wk = 0.0034965 k( 245) = ( 0.5000000 0.3540794 0.5227676), wk = 0.0034965 k( 246) = ( 0.5000000 0.3540794 0.5018569), wk = 0.0034965 k( 247) = ( 0.5000000 0.3540794 0.4809462), wk = 0.0034965 k( 248) = ( 0.5000000 0.3540794 0.4600355), wk = 0.0034965 k( 249) = ( 0.5000000 0.3540794 0.4391248), wk = 0.0034965 k( 250) = ( 0.5000000 0.3540794 0.4182141), wk = 0.0034965 k( 251) = ( 0.5000000 0.3540794 0.3973034), wk = 0.0034965 k( 252) = ( 0.5000000 0.3540794 0.3763927), wk = 0.0034965 k( 253) = ( 0.5000000 0.3540794 0.3554820), wk = 0.0034965 k( 254) = ( 0.5000000 0.3540794 0.3345713), wk = 0.0034965 k( 255) = ( 0.5000000 0.3540794 0.3136606), wk = 0.0034965 k( 256) = ( 0.5000000 0.3540794 0.2927499), wk = 0.0034965 k( 257) = ( 0.5000000 0.3540794 0.2718392), wk = 0.0034965 k( 258) = ( 0.5000000 0.3540794 0.2509285), wk = 0.0034965 k( 259) = ( 0.5000000 0.3540794 0.2300177), wk = 0.0034965 k( 260) = ( 0.5000000 0.3540794 0.2091070), wk = 0.0034965 k( 261) = ( 0.5000000 0.3540794 0.1881963), wk = 0.0034965 k( 262) = ( 0.5000000 0.3540794 0.1672856), wk = 0.0034965 k( 263) = ( 0.5000000 0.3540794 0.1463749), wk = 0.0034965 k( 264) = ( 0.5000000 0.3540794 0.1254642), wk = 0.0034965 k( 265) = ( 0.5000000 0.3540794 0.1045535), wk = 0.0034965 k( 266) = ( 0.5000000 0.3540794 0.0836428), wk = 0.0034965 k( 267) = ( 0.5000000 0.3540794 0.0627321), wk = 0.0034965 k( 268) = ( 0.5000000 0.3540794 0.0418214), wk = 0.0034965 k( 269) = ( 0.5000000 0.3540794 0.0209107), wk = 0.0034965 k( 270) = ( 0.5000000 0.3540794 0.0000000), wk = 0.0034965 k( 271) = ( 0.0000000 0.0000000 0.8651679), wk = 0.0034965 k( 272) = ( 0.0166667 0.0118026 0.8651679), wk = 0.0034965 k( 273) = ( 0.0333333 0.0236053 0.8651679), wk = 0.0034965 k( 274) = ( 0.0500000 0.0354079 0.8651679), wk = 0.0034965 k( 275) = ( 0.0666667 0.0472106 0.8651679), wk = 0.0034965 k( 276) = ( 0.0833333 0.0590132 0.8651679), wk = 0.0034965 k( 277) = ( 0.1000000 0.0708159 0.8651679), wk = 0.0034965 k( 278) = ( 0.1166667 0.0826185 0.8651679), wk = 0.0034965 k( 279) = ( 0.1333333 0.0944212 0.8651679), wk = 0.0034965 k( 280) = ( 0.1500000 0.1062238 0.8651679), wk = 0.0034965 k( 281) = ( 0.1666667 0.1180265 0.8651679), wk = 0.0034965 k( 282) = ( 0.1833333 0.1298291 0.8651679), wk = 0.0034965 k( 283) = ( 0.2000000 0.1416318 0.8651679), wk = 0.0034965 k( 284) = ( 0.2166667 0.1534344 0.8651679), wk = 0.0034965 k( 285) = ( 0.2333333 0.1652371 0.8651679), wk = 0.0034965 k( 286) = ( 0.2500000 0.1770397 0.8651679), wk = 0.0034965 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0034965 k( 3) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034965 k( 4) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0034965 k( 5) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034965 k( 6) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0034965 k( 7) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034965 k( 8) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034965 k( 9) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034965 k( 10) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0034965 k( 11) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034965 k( 12) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0034965 k( 13) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034965 k( 14) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0034965 k( 15) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034965 k( 16) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0034965 k( 17) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034965 k( 18) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0034965 k( 19) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034965 k( 20) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0034965 k( 21) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034965 k( 22) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034965 k( 23) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034965 k( 24) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0034965 k( 25) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034965 k( 26) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0034965 k( 27) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034965 k( 28) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0034965 k( 29) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034965 k( 30) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0034965 k( 31) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034965 k( 32) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0034965 k( 33) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034965 k( 34) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0034965 k( 35) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034965 k( 36) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034965 k( 37) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034965 k( 38) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0034965 k( 39) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034965 k( 40) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0034965 k( 41) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034965 k( 42) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0034965 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 44) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 45) = ( -0.0113975 0.0113975 0.5000000), wk = 0.0034965 k( 46) = ( -0.0227950 0.0227950 0.5000000), wk = 0.0034965 k( 47) = ( -0.0341924 0.0341924 0.5000000), wk = 0.0034965 k( 48) = ( -0.0455899 0.0455899 0.5000000), wk = 0.0034965 k( 49) = ( -0.0569874 0.0569874 0.5000000), wk = 0.0034965 k( 50) = ( -0.0683848 0.0683849 0.5000000), wk = 0.0034965 k( 51) = ( -0.0797823 0.0797823 0.5000000), wk = 0.0034965 k( 52) = ( -0.0911798 0.0911798 0.5000000), wk = 0.0034965 k( 53) = ( -0.1025773 0.1025773 0.5000000), wk = 0.0034965 k( 54) = ( -0.1139748 0.1139748 0.5000000), wk = 0.0034965 k( 55) = ( -0.1253722 0.1253722 0.5000000), wk = 0.0034965 k( 56) = ( -0.1253722 0.1253722 0.5000000), wk = 0.0034965 k( 57) = ( -0.1338865 0.1338865 0.4914857), wk = 0.0034965 k( 58) = ( -0.1424008 0.1424008 0.4829715), wk = 0.0034965 k( 59) = ( -0.1509150 0.1509150 0.4744572), wk = 0.0034965 k( 60) = ( -0.1594293 0.1594293 0.4659429), wk = 0.0034965 k( 61) = ( -0.1679436 0.1679436 0.4574287), wk = 0.0034965 k( 62) = ( -0.1764578 0.1764578 0.4489144), wk = 0.0034965 k( 63) = ( -0.1849721 0.1849721 0.4404001), wk = 0.0034965 k( 64) = ( -0.1934864 0.1934864 0.4318859), wk = 0.0034965 k( 65) = ( -0.2020006 0.2020006 0.4233716), wk = 0.0034965 k( 66) = ( -0.2105149 0.2105149 0.4148573), wk = 0.0034965 k( 67) = ( -0.2190292 0.2190292 0.4063431), wk = 0.0034965 k( 68) = ( -0.2275434 0.2275434 0.3978288), wk = 0.0034965 k( 69) = ( -0.2360577 0.2360577 0.3893145), wk = 0.0034965 k( 70) = ( -0.2445720 0.2445720 0.3808003), wk = 0.0034965 k( 71) = ( -0.2530862 0.2530862 0.3722860), wk = 0.0034965 k( 72) = ( -0.2616005 0.2616005 0.3637717), wk = 0.0034965 k( 73) = ( -0.2701148 0.2701148 0.3552575), wk = 0.0034965 k( 74) = ( -0.2786290 0.2786291 0.3467432), wk = 0.0034965 k( 75) = ( -0.2871433 0.2871433 0.3382289), wk = 0.0034965 k( 76) = ( -0.2956576 0.2956576 0.3297146), wk = 0.0034965 k( 77) = ( -0.3041719 0.3041719 0.3212004), wk = 0.0034965 k( 78) = ( -0.3126861 0.3126861 0.3126861), wk = 0.0034965 k( 79) = ( -0.3126861 0.3126861 0.3126861), wk = 0.0034965 k( 80) = ( -0.3042351 0.3042351 0.3042351), wk = 0.0034965 k( 81) = ( -0.2957842 0.2957842 0.2957842), wk = 0.0034965 k( 82) = ( -0.2873332 0.2873332 0.2873332), wk = 0.0034965 k( 83) = ( -0.2788822 0.2788822 0.2788822), wk = 0.0034965 k( 84) = ( -0.2704312 0.2704312 0.2704312), wk = 0.0034965 k( 85) = ( -0.2619803 0.2619803 0.2619803), wk = 0.0034965 k( 86) = ( -0.2535293 0.2535293 0.2535293), wk = 0.0034965 k( 87) = ( -0.2450783 0.2450783 0.2450783), wk = 0.0034965 k( 88) = ( -0.2366273 0.2366273 0.2366273), wk = 0.0034965 k( 89) = ( -0.2281764 0.2281764 0.2281764), wk = 0.0034965 k( 90) = ( -0.2197254 0.2197254 0.2197254), wk = 0.0034965 k( 91) = ( -0.2112744 0.2112744 0.2112744), wk = 0.0034965 k( 92) = ( -0.2028234 0.2028234 0.2028234), wk = 0.0034965 k( 93) = ( -0.1943725 0.1943725 0.1943725), wk = 0.0034965 k( 94) = ( -0.1859215 0.1859215 0.1859215), wk = 0.0034965 k( 95) = ( -0.1774705 0.1774705 0.1774705), wk = 0.0034965 k( 96) = ( -0.1690195 0.1690195 0.1690195), wk = 0.0034965 k( 97) = ( -0.1605686 0.1605686 0.1605685), wk = 0.0034965 k( 98) = ( -0.1521176 0.1521176 0.1521176), wk = 0.0034965 k( 99) = ( -0.1436666 0.1436666 0.1436666), wk = 0.0034965 k( 100) = ( -0.1352156 0.1352156 0.1352156), wk = 0.0034965 k( 101) = ( -0.1267646 0.1267646 0.1267646), wk = 0.0034965 k( 102) = ( -0.1183137 0.1183137 0.1183137), wk = 0.0034965 k( 103) = ( -0.1098627 0.1098627 0.1098627), wk = 0.0034965 k( 104) = ( -0.1014117 0.1014117 0.1014117), wk = 0.0034965 k( 105) = ( -0.0929607 0.0929607 0.0929607), wk = 0.0034965 k( 106) = ( -0.0845098 0.0845098 0.0845098), wk = 0.0034965 k( 107) = ( -0.0760588 0.0760588 0.0760588), wk = 0.0034965 k( 108) = ( -0.0676078 0.0676078 0.0676078), wk = 0.0034965 k( 109) = ( -0.0591568 0.0591568 0.0591568), wk = 0.0034965 k( 110) = ( -0.0507059 0.0507059 0.0507059), wk = 0.0034965 k( 111) = ( -0.0422549 0.0422549 0.0422549), wk = 0.0034965 k( 112) = ( -0.0338039 0.0338039 0.0338039), wk = 0.0034965 k( 113) = ( -0.0253529 0.0253529 0.0253529), wk = 0.0034965 k( 114) = ( -0.0169019 0.0169019 0.0169019), wk = 0.0034965 k( 115) = ( -0.0084510 0.0084510 0.0084510), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 118) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0034965 k( 119) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0034965 k( 120) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0034965 k( 121) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0034965 k( 122) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0034965 k( 123) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0034965 k( 124) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0034965 k( 125) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0034965 k( 126) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0034965 k( 127) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0034965 k( 128) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0034965 k( 129) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0034965 k( 130) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0034965 k( 131) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0034965 k( 132) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0034965 k( 133) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0034965 k( 134) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0034965 k( 135) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0034965 k( 136) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0034965 k( 137) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0034965 k( 138) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0034965 k( 139) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0034965 k( 140) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0034965 k( 141) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0034965 k( 142) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0034965 k( 143) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0034965 k( 144) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0034965 k( 145) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0034965 k( 146) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0034965 k( 147) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034965 k( 148) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034965 k( 149) = ( 0.4914857 0.5085143 -0.4914857), wk = 0.0034965 k( 150) = ( 0.4829715 0.5170285 -0.4829715), wk = 0.0034965 k( 151) = ( 0.4744572 0.5255428 -0.4744572), wk = 0.0034965 k( 152) = ( 0.4659429 0.5340571 -0.4659429), wk = 0.0034965 k( 153) = ( 0.4574287 0.5425713 -0.4574287), wk = 0.0034965 k( 154) = ( 0.4489144 0.5510856 -0.4489144), wk = 0.0034965 k( 155) = ( 0.4404001 0.5595999 -0.4404001), wk = 0.0034965 k( 156) = ( 0.4318859 0.5681141 -0.4318859), wk = 0.0034965 k( 157) = ( 0.4233716 0.5766284 -0.4233716), wk = 0.0034965 k( 158) = ( 0.4148573 0.5851427 -0.4148573), wk = 0.0034965 k( 159) = ( 0.4063431 0.5936569 -0.4063431), wk = 0.0034965 k( 160) = ( 0.3978288 0.6021712 -0.3978288), wk = 0.0034965 k( 161) = ( 0.3893145 0.6106855 -0.3893145), wk = 0.0034965 k( 162) = ( 0.3808003 0.6191997 -0.3808003), wk = 0.0034965 k( 163) = ( 0.3722860 0.6277140 -0.3722860), wk = 0.0034965 k( 164) = ( 0.3637717 0.6362283 -0.3637717), wk = 0.0034965 k( 165) = ( 0.3552574 0.6447426 -0.3552574), wk = 0.0034965 k( 166) = ( 0.3467432 0.6532568 -0.3467432), wk = 0.0034965 k( 167) = ( 0.3382289 0.6617711 -0.3382289), wk = 0.0034965 k( 168) = ( 0.3297146 0.6702854 -0.3297147), wk = 0.0034965 k( 169) = ( 0.3212004 0.6787996 -0.3212004), wk = 0.0034965 k( 170) = ( 0.3126861 0.6873139 -0.3126861), wk = 0.0034965 k( 171) = ( 0.3126861 0.6873139 -0.3126861), wk = 0.0034965 k( 172) = ( 0.2942928 0.6762954 -0.2942928), wk = 0.0034965 k( 173) = ( 0.2758995 0.6652770 -0.2758995), wk = 0.0034965 k( 174) = ( 0.2575062 0.6542585 -0.2575062), wk = 0.0034965 k( 175) = ( 0.2391129 0.6432400 -0.2391129), wk = 0.0034965 k( 176) = ( 0.2207196 0.6322216 -0.2207196), wk = 0.0034965 k( 177) = ( 0.2023263 0.6212031 -0.2023263), wk = 0.0034965 k( 178) = ( 0.1839330 0.6101846 -0.1839330), wk = 0.0034965 k( 179) = ( 0.1655397 0.5991662 -0.1655397), wk = 0.0034965 k( 180) = ( 0.1471464 0.5881477 -0.1471464), wk = 0.0034965 k( 181) = ( 0.1287531 0.5771293 -0.1287531), wk = 0.0034965 k( 182) = ( 0.1103598 0.5661108 -0.1103598), wk = 0.0034965 k( 183) = ( 0.0919665 0.5550923 -0.0919665), wk = 0.0034965 k( 184) = ( 0.0735732 0.5440739 -0.0735732), wk = 0.0034965 k( 185) = ( 0.0551799 0.5330554 -0.0551799), wk = 0.0034965 k( 186) = ( 0.0367866 0.5220369 -0.0367866), wk = 0.0034965 k( 187) = ( 0.0183933 0.5110185 -0.0183933), wk = 0.0034965 k( 188) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034965 k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034965 k( 190) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0034965 k( 191) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0034965 k( 192) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0034965 k( 193) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0034965 k( 194) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0034965 k( 195) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0034965 k( 196) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0034965 k( 197) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0034965 k( 198) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0034965 k( 199) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0034965 k( 200) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0034965 k( 201) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0034965 k( 202) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0034965 k( 203) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0034965 k( 204) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0034965 k( 205) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0034965 k( 206) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0034965 k( 207) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0034965 k( 208) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0034965 k( 209) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0034965 k( 210) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0034965 k( 211) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0034965 k( 212) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0034965 k( 213) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0034965 k( 214) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0034965 k( 215) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0034965 k( 216) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0034965 k( 217) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0034965 k( 218) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0034965 k( 219) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034965 k( 220) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034965 k( 221) = ( 0.2638889 0.2638889 0.2291460), wk = 0.0034965 k( 222) = ( 0.2777778 0.2777778 0.2082920), wk = 0.0034965 k( 223) = ( 0.2916667 0.2916667 0.1874380), wk = 0.0034965 k( 224) = ( 0.3055556 0.3055556 0.1665840), wk = 0.0034965 k( 225) = ( 0.3194444 0.3194444 0.1457299), wk = 0.0034965 k( 226) = ( 0.3333333 0.3333333 0.1248759), wk = 0.0034965 k( 227) = ( 0.3472222 0.3472222 0.1040219), wk = 0.0034965 k( 228) = ( 0.3611111 0.3611111 0.0831679), wk = 0.0034965 k( 229) = ( 0.3750000 0.3750000 0.0623139), wk = 0.0034965 k( 230) = ( 0.3888889 0.3888889 0.0414599), wk = 0.0034965 k( 231) = ( 0.4027778 0.4027778 0.0206059), wk = 0.0034965 k( 232) = ( 0.4166667 0.4166667 -0.0002481), wk = 0.0034965 k( 233) = ( 0.4305556 0.4305556 -0.0211022), wk = 0.0034965 k( 234) = ( 0.4444444 0.4444444 -0.0419562), wk = 0.0034965 k( 235) = ( 0.4583333 0.4583333 -0.0628102), wk = 0.0034965 k( 236) = ( 0.4722222 0.4722222 -0.0836642), wk = 0.0034965 k( 237) = ( 0.4861111 0.4861111 -0.1045182), wk = 0.0034965 k( 238) = ( 0.5000000 0.5000000 -0.1253722), wk = 0.0034965 k( 239) = ( 0.5000000 0.5000000 -0.1253722), wk = 0.0034965 k( 240) = ( 0.5000000 0.5000000 -0.1374570), wk = 0.0034965 k( 241) = ( 0.5000000 0.5000000 -0.1495418), wk = 0.0034965 k( 242) = ( 0.5000000 0.5000000 -0.1616265), wk = 0.0034965 k( 243) = ( 0.5000000 0.5000000 -0.1737113), wk = 0.0034965 k( 244) = ( 0.5000000 0.5000000 -0.1857961), wk = 0.0034965 k( 245) = ( 0.5000000 0.5000000 -0.1978808), wk = 0.0034965 k( 246) = ( 0.5000000 0.5000000 -0.2099656), wk = 0.0034965 k( 247) = ( 0.5000000 0.5000000 -0.2220504), wk = 0.0034965 k( 248) = ( 0.5000000 0.5000000 -0.2341351), wk = 0.0034965 k( 249) = ( 0.5000000 0.5000000 -0.2462199), wk = 0.0034965 k( 250) = ( 0.5000000 0.5000000 -0.2583047), wk = 0.0034965 k( 251) = ( 0.5000000 0.5000000 -0.2703894), wk = 0.0034965 k( 252) = ( 0.5000000 0.5000000 -0.2824742), wk = 0.0034965 k( 253) = ( 0.5000000 0.5000000 -0.2945590), wk = 0.0034965 k( 254) = ( 0.5000000 0.5000000 -0.3066437), wk = 0.0034965 k( 255) = ( 0.5000000 0.5000000 -0.3187285), wk = 0.0034965 k( 256) = ( 0.5000000 0.5000000 -0.3308133), wk = 0.0034965 k( 257) = ( 0.5000000 0.5000000 -0.3428980), wk = 0.0034965 k( 258) = ( 0.5000000 0.5000000 -0.3549828), wk = 0.0034965 k( 259) = ( 0.5000000 0.5000000 -0.3670676), wk = 0.0034965 k( 260) = ( 0.5000000 0.5000000 -0.3791523), wk = 0.0034965 k( 261) = ( 0.5000000 0.5000000 -0.3912371), wk = 0.0034965 k( 262) = ( 0.5000000 0.5000000 -0.4033219), wk = 0.0034965 k( 263) = ( 0.5000000 0.5000000 -0.4154066), wk = 0.0034965 k( 264) = ( 0.5000000 0.5000000 -0.4274914), wk = 0.0034965 k( 265) = ( 0.5000000 0.5000000 -0.4395762), wk = 0.0034965 k( 266) = ( 0.5000000 0.5000000 -0.4516609), wk = 0.0034965 k( 267) = ( 0.5000000 0.5000000 -0.4637457), wk = 0.0034965 k( 268) = ( 0.5000000 0.5000000 -0.4758305), wk = 0.0034965 k( 269) = ( 0.5000000 0.5000000 -0.4879152), wk = 0.0034965 k( 270) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034965 k( 271) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 272) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0034965 k( 273) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0034965 k( 274) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0034965 k( 275) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0034965 k( 276) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0034965 k( 277) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0034965 k( 278) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0034965 k( 279) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0034965 k( 280) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0034965 k( 281) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0034965 k( 282) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0034965 k( 283) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0034965 k( 284) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0034965 k( 285) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0034965 k( 286) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034965 Dense grid: 66767 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 44271 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 242, 74) NL pseudopotentials 0.50 Mb ( 121, 272) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1391) G-vector shells 0.01 Mb ( 681) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.09 Mb ( 242, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.61 Mb ( 272, 2, 74) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Cu3SbS4.save/charge-density.dat Starting wfc are 94 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 48.7 secs Computing kpt #: 2 total cpu time spent up to now is 53.6 secs Computing kpt #: 3 total cpu time spent up to now is 58.4 secs Computing kpt #: 4 total cpu time spent up to now is 63.4 secs Computing kpt #: 5 total cpu time spent up to now is 68.2 secs Computing kpt #: 6 total cpu time spent up to now is 73.2 secs Computing kpt #: 7 total cpu time spent up to now is 77.9 secs Computing kpt #: 8 total cpu time spent up to now is 82.7 secs Computing kpt #: 9 total cpu time spent up to now is 87.4 secs Computing kpt #: 10 total cpu time spent up to now is 92.2 secs Computing kpt #: 11 total cpu time spent up to now is 96.9 secs Computing kpt #: 12 total cpu time spent up to now is 101.8 secs Computing kpt #: 13 total cpu time spent up to now is 106.6 secs Computing kpt #: 14 total cpu time spent up to now is 111.3 secs Computing kpt #: 15 total cpu time spent up to now is 116.1 secs Computing kpt #: 16 total cpu time spent up to now is 120.9 secs Computing kpt #: 17 total cpu time spent up to now is 125.7 secs Computing kpt #: 18 total cpu time spent up to now is 130.9 secs Computing kpt #: 19 total cpu time spent up to now is 135.5 secs Computing kpt #: 20 total cpu time spent up to now is 140.4 secs Computing kpt #: 21 total cpu time spent up to now is 145.2 secs Computing kpt #: 22 total cpu time spent up to now is 150.1 secs Computing kpt #: 23 total cpu time spent up to now is 155.1 secs Computing kpt #: 24 total cpu time spent up to now is 160.5 secs Computing kpt #: 25 total cpu time spent up to now is 165.9 secs Computing kpt #: 26 total cpu time spent up to now is 171.0 secs Computing kpt #: 27 total cpu time spent up to now is 176.1 secs Computing kpt #: 28 total cpu time spent up to now is 181.9 secs Computing kpt #: 29 total cpu time spent up to now is 187.2 secs Computing kpt #: 30 total cpu time spent up to now is 192.7 secs Computing kpt #: 31 total cpu time spent up to now is 197.5 secs Computing kpt #: 32 total cpu time spent up to now is 202.3 secs Computing kpt #: 33 total cpu time spent up to now is 207.3 secs Computing kpt #: 34 total cpu time spent up to now is 212.0 secs Computing kpt #: 35 total cpu time spent up to now is 216.8 secs Computing kpt #: 36 total cpu time spent up to now is 221.4 secs Computing kpt #: 37 total cpu time spent up to now is 226.1 secs Computing kpt #: 38 total cpu time spent up to now is 230.8 secs Computing kpt #: 39 total cpu time spent up to now is 235.5 secs Computing kpt #: 40 total cpu time spent up to now is 240.1 secs Computing kpt #: 41 total cpu time spent up to now is 244.7 secs Computing kpt #: 42 total cpu time spent up to now is 249.3 secs Computing kpt #: 43 total cpu time spent up to now is 253.9 secs Computing kpt #: 44 total cpu time spent up to now is 258.8 secs Computing kpt #: 45 total cpu time spent up to now is 263.5 secs Computing kpt #: 46 total cpu time spent up to now is 268.3 secs Computing kpt #: 47 total cpu time spent up to now is 272.9 secs Computing kpt #: 48 total cpu time spent up to now is 277.5 secs Computing kpt #: 49 total cpu time spent up to now is 282.1 secs Computing kpt #: 50 total cpu time spent up to now is 286.8 secs Computing kpt #: 51 total cpu time spent up to now is 291.4 secs Computing kpt #: 52 total cpu time spent up to now is 296.1 secs Computing kpt #: 53 total cpu time spent up to now is 300.8 secs Computing kpt #: 54 total cpu time spent up to now is 305.5 secs Computing kpt #: 55 total cpu time spent up to now is 310.3 secs Computing kpt #: 56 total cpu time spent up to now is 315.0 secs Computing kpt #: 57 total cpu time spent up to now is 319.7 secs Computing kpt #: 58 total cpu time spent up to now is 324.4 secs Computing kpt #: 59 total cpu time spent up to now is 329.1 secs Computing kpt #: 60 total cpu time spent up to now is 333.9 secs Computing kpt #: 61 total cpu time spent up to now is 338.7 secs Computing kpt #: 62 total cpu time spent up to now is 343.4 secs Computing kpt #: 63 total cpu time spent up to now is 348.0 secs Computing kpt #: 64 total cpu time spent up to now is 352.7 secs Computing kpt #: 65 total cpu time spent up to now is 357.4 secs Computing kpt #: 66 total cpu time spent up to now is 362.2 secs Computing kpt #: 67 total cpu time spent up to now is 366.9 secs Computing kpt #: 68 total cpu time spent up to now is 371.7 secs Computing kpt #: 69 total cpu time spent up to now is 376.4 secs Computing kpt #: 70 total cpu time spent up to now is 381.1 secs Computing kpt #: 71 total cpu time spent up to now is 385.8 secs Computing kpt #: 72 total cpu time spent up to now is 390.6 secs Computing kpt #: 73 total cpu time spent up to now is 395.5 secs Computing kpt #: 74 total cpu time spent up to now is 400.5 secs Computing kpt #: 75 total cpu time spent up to now is 405.6 secs Computing kpt #: 76 total cpu time spent up to now is 410.6 secs Computing kpt #: 77 total cpu time spent up to now is 415.7 secs Computing kpt #: 78 total cpu time spent up to now is 420.8 secs Computing kpt #: 79 total cpu time spent up to now is 425.8 secs Computing kpt #: 80 total cpu time spent up to now is 430.8 secs Computing kpt #: 81 total cpu time spent up to now is 435.8 secs Computing kpt #: 82 total cpu time spent up to now is 440.8 secs Computing kpt #: 83 total cpu time spent up to now is 446.0 secs Computing kpt #: 84 total cpu time spent up to now is 451.2 secs Computing kpt #: 85 total cpu time spent up to now is 456.4 secs Computing kpt #: 86 total cpu time spent up to now is 461.9 secs Computing kpt #: 87 total cpu time spent up to now is 468.0 secs Computing kpt #: 88 total cpu time spent up to now is 476.7 secs Computing kpt #: 89 total cpu time spent up to now is 486.6 secs Computing kpt #: 90 total cpu time spent up to now is 493.8 secs Computing kpt #: 91 total cpu time spent up to now is 500.1 secs Computing kpt #: 92 total cpu time spent up to now is 506.0 secs Computing kpt #: 93 total cpu time spent up to now is 511.4 secs Computing kpt #: 94 total cpu time spent up to now is 516.5 secs Computing kpt #: 95 total cpu time spent up to now is 521.6 secs Computing kpt #: 96 total cpu time spent up to now is 526.6 secs Computing kpt #: 97 total cpu time spent up to now is 531.5 secs Computing kpt #: 98 total cpu time spent up to now is 536.3 secs Computing kpt #: 99 total cpu time spent up to now is 541.1 secs Computing kpt #: 100 total cpu time spent up to now is 545.9 secs Computing kpt #: 101 total cpu time spent up to now is 550.7 secs Computing kpt #: 102 total cpu time spent up to now is 555.5 secs Computing kpt #: 103 total cpu time spent up to now is 560.3 secs Computing kpt #: 104 total cpu time spent up to now is 565.0 secs Computing kpt #: 105 total cpu time spent up to now is 570.2 secs Computing kpt #: 106 total cpu time spent up to now is 575.8 secs Computing kpt #: 107 total cpu time spent up to now is 580.7 secs Computing kpt #: 108 total cpu time spent up to now is 585.5 secs Computing kpt #: 109 total cpu time spent up to now is 590.2 secs Computing kpt #: 110 total cpu time spent up to now is 595.0 secs Computing kpt #: 111 total cpu time spent up to now is 599.8 secs Computing kpt #: 112 total cpu time spent up to now is 604.8 secs Computing kpt #: 113 total cpu time spent up to now is 610.1 secs Computing kpt #: 114 total cpu time spent up to now is 615.7 secs Computing kpt #: 115 total cpu time spent up to now is 620.6 secs Computing kpt #: 116 total cpu time spent up to now is 625.5 secs Computing kpt #: 117 total cpu time spent up to now is 630.6 secs Computing kpt #: 118 total cpu time spent up to now is 635.8 secs Computing kpt #: 119 total cpu time spent up to now is 641.0 secs Computing kpt #: 120 total cpu time spent up to now is 646.0 secs Computing kpt #: 121 total cpu time spent up to now is 651.2 secs Computing kpt #: 122 total cpu time spent up to now is 656.2 secs Computing kpt #: 123 total cpu time spent up to now is 661.1 secs Computing kpt #: 124 total cpu time spent up to now is 665.9 secs Computing kpt #: 125 total cpu time spent up to now is 670.8 secs Computing kpt #: 126 total cpu time spent up to now is 675.5 secs Computing kpt #: 127 total cpu time spent up to now is 680.4 secs Computing kpt #: 128 total cpu time spent up to now is 685.2 secs Computing kpt #: 129 total cpu time spent up to now is 690.0 secs Computing kpt #: 130 total cpu time spent up to now is 694.8 secs Computing kpt #: 131 total cpu time spent up to now is 699.5 secs Computing kpt #: 132 total cpu time spent up to now is 704.9 secs Computing kpt #: 133 total cpu time spent up to now is 709.6 secs Computing kpt #: 134 total cpu time spent up to now is 714.2 secs Computing kpt #: 135 total cpu time spent up to now is 719.1 secs Computing kpt #: 136 total cpu time spent up to now is 724.1 secs Computing kpt #: 137 total cpu time spent up to now is 729.7 secs Computing kpt #: 138 total cpu time spent up to now is 734.6 secs Computing kpt #: 139 total cpu time spent up to now is 739.7 secs Computing kpt #: 140 total cpu time spent up to now is 744.8 secs Computing kpt #: 141 total cpu time spent up to now is 750.4 secs Computing kpt #: 142 total cpu time spent up to now is 756.0 secs Computing kpt #: 143 total cpu time spent up to now is 761.6 secs Computing kpt #: 144 total cpu time spent up to now is 766.6 secs Computing kpt #: 145 total cpu time spent up to now is 771.8 secs Computing kpt #: 146 total cpu time spent up to now is 777.1 secs Computing kpt #: 147 total cpu time spent up to now is 784.3 secs Computing kpt #: 148 total cpu time spent up to now is 789.5 secs Computing kpt #: 149 total cpu time spent up to now is 794.8 secs Computing kpt #: 150 total cpu time spent up to now is 800.1 secs Computing kpt #: 151 total cpu time spent up to now is 805.5 secs Computing kpt #: 152 total cpu time spent up to now is 811.3 secs Computing kpt #: 153 total cpu time spent up to now is 817.0 secs Computing kpt #: 154 total cpu time spent up to now is 822.4 secs Computing kpt #: 155 total cpu time spent up to now is 828.2 secs Computing kpt #: 156 total cpu time spent up to now is 833.5 secs Computing kpt #: 157 total cpu time spent up to now is 839.3 secs Computing kpt #: 158 total cpu time spent up to now is 844.7 secs Computing kpt #: 159 total cpu time spent up to now is 850.6 secs Computing kpt #: 160 total cpu time spent up to now is 856.7 secs Computing kpt #: 161 total cpu time spent up to now is 862.5 secs Computing kpt #: 162 total cpu time spent up to now is 868.4 secs Computing kpt #: 163 total cpu time spent up to now is 873.9 secs Computing kpt #: 164 total cpu time spent up to now is 879.3 secs Computing kpt #: 165 total cpu time spent up to now is 884.7 secs Computing kpt #: 166 total cpu time spent up to now is 890.9 secs Computing kpt #: 167 total cpu time spent up to now is 896.1 secs Computing kpt #: 168 total cpu time spent up to now is 901.2 secs Computing kpt #: 169 total cpu time spent up to now is 906.1 secs Computing kpt #: 170 total cpu time spent up to now is 911.4 secs Computing kpt #: 171 total cpu time spent up to now is 916.6 secs Computing kpt #: 172 total cpu time spent up to now is 921.6 secs Computing kpt #: 173 total cpu time spent up to now is 926.7 secs Computing kpt #: 174 total cpu time spent up to now is 931.8 secs Computing kpt #: 175 total cpu time spent up to now is 936.8 secs Computing kpt #: 176 total cpu time spent up to now is 942.1 secs Computing kpt #: 177 total cpu time spent up to now is 947.3 secs Computing kpt #: 178 total cpu time spent up to now is 952.6 secs Computing kpt #: 179 total cpu time spent up to now is 958.0 secs Computing kpt #: 180 total cpu time spent up to now is 963.2 secs Computing kpt #: 181 total cpu time spent up to now is 968.4 secs Computing kpt #: 182 total cpu time spent up to now is 973.8 secs Computing kpt #: 183 total cpu time spent up to now is 978.9 secs Computing kpt #: 184 total cpu time spent up to now is 984.0 secs Computing kpt #: 185 total cpu time spent up to now is 989.2 secs Computing kpt #: 186 total cpu time spent up to now is 994.2 secs Computing kpt #: 187 total cpu time spent up to now is 999.1 secs Computing kpt #: 188 total cpu time spent up to now is 1004.1 secs Computing kpt #: 189 total cpu time spent up to now is 1009.0 secs Computing kpt #: 190 total cpu time spent up to now is 1014.0 secs Computing kpt #: 191 total cpu time spent up to now is 1019.1 secs Computing kpt #: 192 total cpu time spent up to now is 1024.0 secs Computing kpt #: 193 total cpu time spent up to now is 1028.9 secs Computing kpt #: 194 total cpu time spent up to now is 1033.9 secs Computing kpt #: 195 total cpu time spent up to now is 1038.8 secs Computing kpt #: 196 total cpu time spent up to now is 1043.7 secs Computing kpt #: 197 total cpu time spent up to now is 1048.7 secs Computing kpt #: 198 total cpu time spent up to now is 1053.5 secs Computing kpt #: 199 total cpu time spent up to now is 1058.5 secs Computing kpt #: 200 total cpu time spent up to now is 1063.5 secs Computing kpt #: 201 total cpu time spent up to now is 1068.4 secs Computing kpt #: 202 total cpu time spent up to now is 1073.3 secs Computing kpt #: 203 total cpu time spent up to now is 1078.5 secs Computing kpt #: 204 total cpu time spent up to now is 1084.1 secs Computing kpt #: 205 total cpu time spent up to now is 1089.3 secs Computing kpt #: 206 total cpu time spent up to now is 1094.2 secs Computing kpt #: 207 total cpu time spent up to now is 1099.6 secs Computing kpt #: 208 total cpu time spent up to now is 1104.4 secs Computing kpt #: 209 total cpu time spent up to now is 1110.3 secs Computing kpt #: 210 total cpu time spent up to now is 1115.2 secs Computing kpt #: 211 total cpu time spent up to now is 1120.2 secs Computing kpt #: 212 total cpu time spent up to now is 1125.4 secs Computing kpt #: 213 total cpu time spent up to now is 1130.4 secs Computing kpt #: 214 total cpu time spent up to now is 1135.4 secs Computing kpt #: 215 total cpu time spent up to now is 1140.5 secs Computing kpt #: 216 total cpu time spent up to now is 1145.6 secs Computing kpt #: 217 total cpu time spent up to now is 1150.7 secs Computing kpt #: 218 total cpu time spent up to now is 1155.9 secs Computing kpt #: 219 total cpu time spent up to now is 1161.0 secs Computing kpt #: 220 total cpu time spent up to now is 1166.3 secs Computing kpt #: 221 total cpu time spent up to now is 1171.4 secs Computing kpt #: 222 total cpu time spent up to now is 1176.6 secs Computing kpt #: 223 total cpu time spent up to now is 1181.7 secs Computing kpt #: 224 total cpu time spent up to now is 1186.8 secs Computing kpt #: 225 total cpu time spent up to now is 1191.9 secs Computing kpt #: 226 total cpu time spent up to now is 1197.0 secs Computing kpt #: 227 total cpu time spent up to now is 1201.7 secs Computing kpt #: 228 total cpu time spent up to now is 1206.6 secs Computing kpt #: 229 total cpu time spent up to now is 1211.3 secs Computing kpt #: 230 total cpu time spent up to now is 1216.0 secs Computing kpt #: 231 total cpu time spent up to now is 1220.8 secs Computing kpt #: 232 total cpu time spent up to now is 1225.5 secs Computing kpt #: 233 total cpu time spent up to now is 1230.2 secs Computing kpt #: 234 total cpu time spent up to now is 1234.9 secs Computing kpt #: 235 total cpu time spent up to now is 1239.7 secs Computing kpt #: 236 total cpu time spent up to now is 1244.4 secs Computing kpt #: 237 total cpu time spent up to now is 1249.2 secs Computing kpt #: 238 total cpu time spent up to now is 1253.9 secs Computing kpt #: 239 total cpu time spent up to now is 1258.7 secs Computing kpt #: 240 total cpu time spent up to now is 1263.3 secs Computing kpt #: 241 total cpu time spent up to now is 1268.1 secs Computing kpt #: 242 total cpu time spent up to now is 1273.1 secs Computing kpt #: 243 total cpu time spent up to now is 1277.8 secs Computing kpt #: 244 total cpu time spent up to now is 1282.4 secs Computing kpt #: 245 total cpu time spent up to now is 1287.2 secs Computing kpt #: 246 total cpu time spent up to now is 1291.9 secs Computing kpt #: 247 total cpu time spent up to now is 1296.6 secs Computing kpt #: 248 total cpu time spent up to now is 1301.2 secs Computing kpt #: 249 total cpu time spent up to now is 1305.8 secs Computing kpt #: 250 total cpu time spent up to now is 1310.6 secs Computing kpt #: 251 total cpu time spent up to now is 1315.5 secs Computing kpt #: 252 total cpu time spent up to now is 1320.2 secs Computing kpt #: 253 total cpu time spent up to now is 1325.7 secs Computing kpt #: 254 total cpu time spent up to now is 1331.4 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1341.0 secs Computing kpt #: 256 total cpu time spent up to now is 1347.9 secs Computing kpt #: 257 total cpu time spent up to now is 1353.1 secs Computing kpt #: 258 total cpu time spent up to now is 1358.3 secs Computing kpt #: 259 total cpu time spent up to now is 1364.1 secs Computing kpt #: 260 total cpu time spent up to now is 1370.5 secs Computing kpt #: 261 total cpu time spent up to now is 1375.8 secs Computing kpt #: 262 total cpu time spent up to now is 1383.6 secs Computing kpt #: 263 total cpu time spent up to now is 1389.5 secs Computing kpt #: 264 total cpu time spent up to now is 1395.5 secs Computing kpt #: 265 total cpu time spent up to now is 1401.4 secs Computing kpt #: 266 total cpu time spent up to now is 1408.0 secs Computing kpt #: 267 total cpu time spent up to now is 1413.3 secs Computing kpt #: 268 total cpu time spent up to now is 1418.6 secs Computing kpt #: 269 total cpu time spent up to now is 1423.9 secs Computing kpt #: 270 total cpu time spent up to now is 1428.7 secs Computing kpt #: 271 total cpu time spent up to now is 1433.3 secs Computing kpt #: 272 total cpu time spent up to now is 1438.1 secs Computing kpt #: 273 total cpu time spent up to now is 1442.8 secs Computing kpt #: 274 total cpu time spent up to now is 1447.4 secs Computing kpt #: 275 total cpu time spent up to now is 1452.1 secs Computing kpt #: 276 total cpu time spent up to now is 1456.8 secs Computing kpt #: 277 total cpu time spent up to now is 1461.5 secs Computing kpt #: 278 total cpu time spent up to now is 1466.2 secs Computing kpt #: 279 total cpu time spent up to now is 1471.1 secs Computing kpt #: 280 total cpu time spent up to now is 1476.0 secs Computing kpt #: 281 total cpu time spent up to now is 1481.2 secs Computing kpt #: 282 total cpu time spent up to now is 1486.2 secs Computing kpt #: 283 total cpu time spent up to now is 1491.4 secs Computing kpt #: 284 total cpu time spent up to now is 1496.5 secs Computing kpt #: 285 total cpu time spent up to now is 1501.6 secs Computing kpt #: 286 total cpu time spent up to now is 1506.8 secs ethr = 1.61E-11, avg # of iterations = 32.1 total cpu time spent up to now is 1507.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5541 PWs) bands (ev): -7.9532 -7.9532 -6.1175 -6.1175 -6.0916 -6.0916 -6.0779 -6.0779 -2.5021 -2.5021 1.2172 1.2172 1.6741 1.6741 1.8926 1.8926 1.9149 1.9149 2.0414 2.0414 2.5036 2.5036 3.1141 3.1141 3.1149 3.1149 3.1466 3.1466 3.3585 3.3585 3.3783 3.3783 4.7581 4.7581 4.7588 4.7588 4.8719 4.8719 4.9328 4.9328 5.0033 5.0033 5.0541 5.0541 5.0741 5.0741 5.1650 5.1650 5.4479 5.4479 5.5233 5.5233 5.6291 5.6291 5.8178 5.8178 7.0633 7.0633 7.2734 7.2734 7.2831 7.2831 7.3245 7.3245 8.7567 8.7567 9.8868 9.8868 10.1601 10.1601 10.2944 10.2944 11.6405 11.6405 k = 0.0000 0.0000 0.0206 ( 5541 PWs) bands (ev): -7.9524 -7.9524 -6.1177 -6.1177 -6.0922 -6.0919 -6.0786 -6.0786 -2.5013 -2.5013 1.2124 1.2220 1.6710 1.6735 1.8705 1.8795 1.9216 1.9345 2.0446 2.0499 2.5052 2.5059 3.1132 3.1139 3.1141 3.1152 3.1460 3.1462 3.3572 3.3578 3.3773 3.3774 4.7446 4.7578 4.7592 4.7714 4.8672 4.8772 4.9311 4.9357 5.0032 5.0048 5.0524 5.0564 5.0736 5.0748 5.1575 5.1750 5.4469 5.4484 5.5187 5.5278 5.6206 5.6366 5.8136 5.8251 7.0469 7.0494 7.2755 7.2793 7.2870 7.2883 7.3265 7.3273 8.7572 8.7638 9.8857 9.8870 10.1584 10.1593 10.2983 10.2990 11.6397 11.6401 k = 0.0000 0.0000 0.0412 ( 5539 PWs) bands (ev): -7.9503 -7.9503 -6.1185 -6.1181 -6.0939 -6.0930 -6.0806 -6.0806 -2.4990 -2.4990 1.2075 1.2268 1.6655 1.6685 1.8391 1.8519 1.9314 1.9600 2.0577 2.0678 2.5105 2.5118 3.1101 3.1124 3.1135 3.1156 3.1446 3.1450 3.3540 3.3548 3.3745 3.3749 4.7308 4.7571 4.7597 4.7831 4.8634 4.8829 4.9303 4.9398 5.0052 5.0073 5.0514 5.0588 5.0736 5.0755 5.1527 5.1875 5.4451 5.4487 5.5144 5.5321 5.6114 5.6427 5.8130 5.8353 7.0088 7.0122 7.2727 7.2785 7.2967 7.2985 7.3423 7.3450 8.7652 8.7783 9.8840 9.8863 10.1548 10.1562 10.3106 10.3114 11.6378 11.6387 k = 0.0000 0.0000 0.0618 ( 5547 PWs) bands (ev): -7.9467 -7.9467 -6.1200 -6.1190 -6.0966 -6.0949 -6.0837 -6.0837 -2.4951 -2.4951 1.2024 1.2314 1.6588 1.6594 1.8055 1.8186 1.9412 1.9847 2.0775 2.0912 2.5194 2.5211 3.1048 3.1081 3.1131 3.1162 3.1429 3.1434 3.3481 3.3488 3.3709 3.3719 4.7174 4.7566 4.7600 4.7932 4.8606 4.8887 4.9301 4.9446 5.0100 5.0106 5.0514 5.0606 5.0745 5.0760 5.1507 5.2023 5.4421 5.4488 5.5106 5.5359 5.6022 5.6474 5.8161 5.8479 6.9595 6.9629 7.2651 7.2729 7.2955 7.2974 7.3775 7.3815 8.7808 8.8000 9.8817 9.8847 10.1500 10.1517 10.3303 10.3306 11.6353 11.6368 k = 0.0000 0.0000 0.0824 ( 5551 PWs) bands (ev): -7.9417 -7.9417 -6.1229 -6.1205 -6.1004 -6.0970 -6.0877 -6.0877 -2.4898 -2.4898 1.1968 1.2357 1.6467 1.6525 1.7709 1.7817 1.9523 2.0083 2.1013 2.1172 2.5317 2.5337 3.0967 3.1007 3.1128 3.1168 3.1417 3.1419 3.3394 3.3394 3.3672 3.3690 4.7051 4.7565 4.7601 4.8019 4.8588 4.8942 4.9302 4.9499 5.0145 5.0180 5.0522 5.0615 5.0760 5.0761 5.1519 5.2195 5.4379 5.4489 5.5075 5.5392 5.5936 5.6509 5.8229 5.8628 6.9046 6.9075 7.2525 7.2614 7.2899 7.2931 7.4197 7.4241 8.8038 8.8286 9.8790 9.8822 10.1447 10.1465 10.3555 10.3563 11.6330 11.6351 k = 0.0000 0.0000 0.1030 ( 5557 PWs) bands (ev): -7.9353 -7.9353 -6.1276 -6.1232 -6.1050 -6.0992 -6.0923 -6.0922 -2.4832 -2.4831 1.1907 1.2394 1.6310 1.6475 1.7367 1.7425 1.9645 2.0301 2.1274 2.1444 2.5468 2.5489 3.0857 3.0900 3.1123 3.1173 3.1410 3.1412 3.3273 3.3280 3.3636 3.3663 4.6942 4.7568 4.7602 4.8092 4.8582 4.8991 4.9303 4.9557 5.0190 5.0290 5.0538 5.0617 5.0757 5.0782 5.1566 5.2388 5.4324 5.4490 5.5049 5.5418 5.5861 5.6537 5.8333 5.8797 6.8467 6.8488 7.2342 7.2435 7.2836 7.2889 7.4632 7.4674 8.8338 8.8637 9.8761 9.8790 10.1393 10.1410 10.3851 10.3876 11.6318 11.6346 k = 0.0000 0.0000 0.1236 ( 5559 PWs) bands (ev): -7.9276 -7.9275 -6.1346 -6.1280 -6.1098 -6.1016 -6.0968 -6.0967 -2.4753 -2.4752 1.1839 1.2421 1.6119 1.6445 1.7019 1.7050 1.9772 2.0497 2.1551 2.1724 2.5644 2.5665 3.0715 3.0760 3.1115 3.1175 3.1408 3.1414 3.3133 3.3150 3.3600 3.3636 4.6852 4.7578 4.7602 4.8157 4.8587 4.9030 4.9303 4.9621 5.0240 5.0420 5.0562 5.0615 5.0752 5.0803 5.1651 5.2600 5.4255 5.4493 5.5028 5.5438 5.5805 5.6563 5.8470 5.8985 6.7871 6.7882 7.2103 7.2197 7.2773 7.2848 7.5058 7.5097 8.8705 8.9046 9.8732 9.8754 10.1340 10.1354 10.4187 10.4232 11.6325 11.6361 k = 0.0000 0.0000 0.1442 ( 5563 PWs) bands (ev): -7.9184 -7.9184 -6.1437 -6.1356 -6.1145 -6.1058 -6.1009 -6.0995 -2.4663 -2.4663 1.1764 1.2436 1.5880 1.6422 1.6620 1.6786 1.9896 2.0666 2.1840 2.2008 2.5841 2.5860 3.0543 3.0587 3.1104 3.1173 3.1412 3.1424 3.2986 3.3010 3.3564 3.3608 4.6781 4.7595 4.7603 4.8218 4.8603 4.9058 4.9300 4.9692 5.0294 5.0538 5.0611 5.0613 5.0746 5.0818 5.1777 5.2830 5.4177 5.4498 5.5005 5.5452 5.5773 5.6592 5.8636 5.9190 6.7265 6.7266 7.1813 7.1907 7.2708 7.2805 7.5467 7.5499 8.9134 8.9509 9.8703 9.8716 10.1289 10.1301 10.4555 10.4623 11.6361 11.6407 k = 0.0000 0.0000 0.1648 ( 5565 PWs) bands (ev): -7.9080 -7.9079 -6.1550 -6.1459 -6.1194 -6.1119 -6.1044 -6.1006 -2.4564 -2.4563 1.1682 1.2436 1.5580 1.6141 1.6501 1.6597 2.0012 2.0801 2.2141 2.2298 2.6053 2.6069 3.0341 3.0384 3.1089 3.1166 3.1422 3.1440 3.2841 3.2872 3.3526 3.3577 4.6733 4.7609 4.7619 4.8278 4.8627 4.9078 4.9294 4.9769 5.0349 5.0587 5.0615 5.0717 5.0750 5.0829 5.1947 5.3072 5.4092 5.4504 5.4981 5.5464 5.5769 5.6631 5.8828 5.9413 6.6644 6.6658 7.1476 7.1571 7.2640 7.2757 7.5851 7.5875 8.9617 9.0016 9.8676 9.8678 10.1239 10.1249 10.4948 10.5041 11.6436 11.6492 k = 0.0000 0.0000 0.1854 ( 5573 PWs) bands (ev): -7.8962 -7.8961 -6.1679 -6.1582 -6.1252 -6.1189 -6.1069 -6.1010 -2.4457 -2.4456 1.1594 1.2420 1.5226 1.5715 1.6480 1.6549 2.0115 2.0901 2.2452 2.2595 2.6276 2.6289 3.0111 3.0151 3.1069 3.1152 3.1437 3.1460 3.2708 3.2742 3.3486 3.3543 4.6707 4.7619 4.7652 4.8339 4.8659 4.9091 4.9283 4.9849 5.0396 5.0612 5.0628 5.0737 5.0834 5.0856 5.2161 5.3320 5.4005 5.4512 5.4957 5.5477 5.5792 5.6681 5.9045 5.9651 6.6023 6.6051 7.1096 7.1192 7.2566 7.2702 7.6207 7.6222 9.0149 9.0560 9.8644 9.8650 10.1192 10.1199 10.5358 10.5475 11.6558 11.6624 k = 0.0000 0.0000 0.2060 ( 5573 PWs) bands (ev): -7.8832 -7.8831 -6.1822 -6.1722 -6.1320 -6.1265 -6.1088 -6.1013 -2.4344 -2.4342 1.1504 1.2389 1.4838 1.5281 1.6415 1.6627 2.0206 2.0966 2.2772 2.2899 2.6508 2.6517 2.9855 2.9892 3.1044 3.1132 3.1457 3.1486 3.2593 3.2628 3.3444 3.3506 4.6704 4.7637 4.7694 4.8401 4.8698 4.9102 4.9269 4.9929 5.0425 5.0627 5.0661 5.0746 5.0837 5.0970 5.2414 5.3568 5.3920 5.4525 5.4936 5.5500 5.5840 5.6745 5.9284 5.9905 6.5405 6.5449 7.0676 7.0773 7.2487 7.2640 7.6533 7.6537 9.0719 9.1131 9.8619 9.8628 10.1148 10.1151 10.5777 10.5919 11.6733 11.6809 k = 0.0000 0.0000 0.2266 ( 5565 PWs) bands (ev): -7.8690 -7.8688 -6.1978 -6.1874 -6.1396 -6.1346 -6.1103 -6.1016 -2.4227 -2.4225 1.1413 1.2347 1.4432 1.4845 1.6380 1.6722 2.0288 2.0997 2.3102 2.3210 2.6745 2.6749 2.9576 2.9609 3.1016 3.1107 3.1481 3.1515 3.2502 3.2533 3.3400 3.3467 4.6724 4.7664 4.7743 4.8465 4.8741 4.9113 4.9252 5.0008 5.0431 5.0634 5.0714 5.0762 5.0847 5.1072 5.2700 5.3804 5.3842 5.4542 5.4924 5.5543 5.5907 5.6823 5.9543 6.0174 6.4795 6.4854 7.0221 7.0319 7.2400 7.2571 7.6819 7.6828 9.1319 9.1717 9.8605 9.8608 10.1106 10.1107 10.6200 10.6363 11.6966 11.7050 k = 0.0000 0.0000 0.2472 ( 5569 PWs) bands (ev): -7.8536 -7.8534 -6.2143 -6.2036 -6.1479 -6.1433 -6.1118 -6.1020 -2.4107 -2.4105 1.1324 1.2296 1.4015 1.4412 1.6357 1.6822 2.0368 2.1003 2.3439 2.3530 2.6983 2.6984 2.9276 2.9305 3.0985 3.1078 3.1508 3.1547 3.2437 3.2461 3.3353 3.3425 4.6764 4.7698 4.7799 4.8529 4.8787 4.9125 4.9232 5.0083 5.0420 5.0634 5.0762 5.0784 5.0881 5.1162 5.3007 5.3777 5.4012 5.4565 5.4929 5.5618 5.5991 5.6913 5.9821 6.0457 6.4194 6.4269 6.9734 6.9832 7.2307 7.2494 7.7068 7.7091 9.1939 9.2306 9.8593 9.8609 10.1062 10.1069 10.6620 10.6802 11.7259 11.7348 k = 0.0000 0.0000 0.2678 ( 5573 PWs) bands (ev): -7.8370 -7.8368 -6.2316 -6.2206 -6.1567 -6.1524 -6.1133 -6.1026 -2.3988 -2.3984 1.1239 1.2242 1.3594 1.3985 1.6328 1.6912 2.0456 2.0995 2.3784 2.3856 2.7217 2.7223 2.8960 2.8983 3.0952 3.1048 3.1538 3.1581 3.2396 3.2411 3.3305 3.3381 4.6824 4.7741 4.7862 4.8592 4.8833 4.9140 4.9210 5.0152 5.0399 5.0629 5.0783 5.0809 5.0959 5.1242 5.3323 5.3730 5.4181 5.4596 5.4958 5.5743 5.6089 5.7015 6.0114 6.0753 6.3606 6.3697 6.9219 6.9319 7.2206 7.2409 7.7285 7.7322 9.2569 9.2885 9.8581 9.8635 10.1019 10.1035 10.7033 10.7230 11.7607 11.7696 k = 0.0000 0.0000 0.2884 ( 5575 PWs) bands (ev): -7.8194 -7.8192 -6.2495 -6.2382 -6.1661 -6.1619 -6.1149 -6.1034 -2.3869 -2.3864 1.1160 1.2190 1.3174 1.3566 1.6275 1.6977 2.0560 2.0988 2.4135 2.4190 2.7449 2.7460 2.8633 2.8649 3.0918 3.1018 3.1571 3.1618 3.2378 3.2383 3.3256 3.3335 4.6902 4.7793 4.7930 4.8652 4.8873 4.9159 4.9191 5.0214 5.0373 5.0618 5.0794 5.0839 5.1061 5.1314 5.3597 5.3742 5.4303 5.4633 5.5024 5.5926 5.6196 5.7127 6.0421 6.1060 6.3032 6.3141 6.8682 6.8784 7.2097 7.2316 7.7469 7.7521 9.3197 9.3438 9.8575 9.8690 10.0980 10.1006 10.7435 10.7646 11.8006 11.8087 k = 0.0000 0.0000 0.3090 ( 5559 PWs) bands (ev): -7.8008 -7.8005 -6.2678 -6.2562 -6.1758 -6.1718 -6.1168 -6.1046 -2.3753 -2.3747 1.1085 1.2140 1.2759 1.3161 1.6187 1.6999 2.0692 2.1002 2.4490 2.4528 2.7679 2.7691 2.8303 2.8309 3.0884 3.0988 3.1606 3.1656 3.2374 3.2380 3.3206 3.3287 4.6996 4.7852 4.8002 4.8707 4.8899 4.9184 4.9184 5.0266 5.0344 5.0599 5.0804 5.0875 5.1177 5.1380 5.3653 5.3971 5.4388 5.4669 5.5148 5.6164 5.6312 5.7250 6.0736 6.1379 6.2476 6.2606 6.8128 6.8232 7.1981 7.2214 7.7621 7.7689 9.3814 9.3951 9.8573 9.8780 10.0943 10.0983 10.7826 10.8047 11.8443 11.8506 k = 0.0000 0.0000 0.3296 ( 5559 PWs) bands (ev): -7.7813 -7.7809 -6.2863 -6.2745 -6.1859 -6.1820 -6.1191 -6.1062 -2.3641 -2.3635 1.1012 1.2086 1.2361 1.2775 1.6056 1.6964 2.0854 2.1051 2.4848 2.4870 2.7859 2.7897 2.7974 2.8034 3.0848 3.0958 3.1643 3.1695 3.2383 3.2399 3.3154 3.3239 4.7102 4.7917 4.8075 4.8755 4.8897 4.9200 4.9214 5.0309 5.0316 5.0570 5.0818 5.0917 5.1299 5.1440 5.3671 5.4217 5.4454 5.4702 5.5350 5.6432 5.6443 5.7383 6.1040 6.1693 6.1951 6.2110 6.7562 6.7670 7.1857 7.2105 7.7742 7.7825 9.4407 9.4409 9.8576 9.8909 10.0912 10.0968 10.8206 10.8435 11.8900 11.8934 k = 0.0000 0.0000 0.3502 ( 5553 PWs) bands (ev): -7.7609 -7.7605 -6.3049 -6.2928 -6.1962 -6.1924 -6.1218 -6.1082 -2.3535 -2.3528 1.0932 1.1888 1.2123 1.2419 1.5882 1.6863 2.1045 2.1143 2.5207 2.5213 2.7612 2.7629 2.8129 2.8184 3.0811 3.0928 3.1680 3.1734 3.2407 3.2432 3.3103 3.3189 4.7220 4.7988 4.8148 4.8793 4.8867 4.9241 4.9253 5.0291 5.0340 5.0533 5.0838 5.0966 5.1425 5.1494 5.3707 5.4416 5.4513 5.4733 5.5638 5.6556 5.6744 5.7533 6.1205 6.1405 6.1778 6.2055 6.6993 6.7106 7.1726 7.1986 7.7832 7.7931 9.4799 9.4967 9.8584 9.9078 10.0891 10.0963 10.8579 10.8811 11.9349 11.9356 k = 0.0000 0.0000 0.3708 ( 5545 PWs) bands (ev): -7.7397 -7.7393 -6.3234 -6.3111 -6.2067 -6.2029 -6.1250 -6.1108 -2.3436 -2.3427 1.0831 1.1509 1.2083 1.2106 1.5670 1.6698 2.1257 2.1277 2.5557 2.5563 2.7308 2.7311 2.8346 2.8405 3.0770 3.0893 3.1718 3.1774 3.2443 3.2476 3.3051 3.3139 4.7345 4.8061 4.8219 4.8816 4.8821 4.9298 4.9301 5.0269 5.0355 5.0495 5.0862 5.1020 5.1540 5.1550 5.3764 5.4575 5.4576 5.4767 5.5998 5.6680 5.7042 5.7711 6.0911 6.0917 6.1924 6.2394 6.6425 6.6546 7.1587 7.1860 7.7891 7.8005 9.5115 9.5483 9.8595 9.9276 10.0890 10.0972 10.8945 10.9179 11.9730 11.9788 k = 0.0000 0.0000 0.3914 ( 5541 PWs) bands (ev): -7.7179 -7.7174 -6.3416 -6.3291 -6.2173 -6.2136 -6.1288 -6.1140 -2.3344 -2.3335 1.0687 1.1122 1.1860 1.2068 1.5430 1.6482 2.1439 2.1474 2.5897 2.5912 2.7023 2.7031 2.8559 2.8627 3.0724 3.0854 3.1756 3.1814 3.2489 3.2529 3.3000 3.3089 4.7474 4.8137 4.8284 4.8755 4.8839 4.9350 4.9372 5.0252 5.0344 5.0472 5.0892 5.1076 5.1577 5.1671 5.3842 5.4645 5.4719 5.4807 5.6409 5.6802 5.7300 5.7944 6.0440 6.0473 6.2245 6.2737 6.5869 6.6000 7.1441 7.1727 7.7921 7.8049 9.5357 9.5943 9.8608 9.9478 10.0928 10.0998 10.9310 10.9542 12.0060 12.0175 k = 0.0000 0.0000 0.4120 ( 5536 PWs) bands (ev): -7.6955 -7.6950 -6.3594 -6.3467 -6.2280 -6.2244 -6.1331 -6.1179 -2.3260 -2.3251 1.0484 1.0743 1.1691 1.2058 1.5178 1.6229 2.1609 2.1678 2.6230 2.6236 2.6797 2.6804 2.8766 2.8847 3.0671 3.0808 3.1795 3.1854 3.2544 3.2589 3.2949 3.3040 4.7606 4.8212 4.8340 4.8692 4.8847 4.9405 4.9451 5.0238 5.0299 5.0473 5.0925 5.1133 5.1605 5.1784 5.3936 5.4727 5.4860 5.4860 5.6854 5.6919 5.7492 5.8252 5.9996 6.0021 6.2593 6.3080 6.5333 6.5478 7.1289 7.1586 7.7920 7.8062 9.5530 9.6339 9.8621 9.9643 10.1030 10.1046 10.9676 10.9903 12.0330 12.0500 k = 0.0000 0.0000 0.4326 ( 5532 PWs) bands (ev): -7.6727 -7.6721 -6.3766 -6.3638 -6.2387 -6.2352 -6.1382 -6.1224 -2.3186 -2.3176 1.0229 1.0373 1.1590 1.2042 1.4932 1.5959 2.1761 2.1843 2.6415 2.6528 2.6673 2.6767 2.8968 2.9063 3.0610 3.0754 3.1833 3.1893 3.2604 3.2654 3.2901 3.2991 4.7736 4.8285 4.8375 4.8641 4.8846 4.9463 4.9538 5.0228 5.0237 5.0487 5.0962 5.1188 5.1624 5.1884 5.4042 5.4821 5.4929 5.5006 5.7022 5.7330 5.7623 5.8622 5.9581 5.9586 6.2941 6.3411 6.4835 6.4993 7.1130 7.1438 7.7888 7.8043 9.5645 9.6660 9.8632 9.9735 10.1121 10.1218 11.0047 11.0265 12.0540 12.0760 k = 0.0000 0.0000 0.4532 ( 5536 PWs) bands (ev): -7.6495 -7.6488 -6.3931 -6.3801 -6.2494 -6.2459 -6.1439 -6.1277 -2.3120 -2.3109 0.9941 1.0015 1.1530 1.2006 1.4713 1.5692 2.1867 2.1945 2.6374 2.6545 2.6902 2.7026 2.9165 2.9275 3.0541 3.0693 3.1870 3.1931 3.2665 3.2721 3.2855 3.2943 4.7861 4.8354 4.8372 4.8622 4.8837 4.9521 4.9630 5.0171 5.0221 5.0505 5.1000 5.1239 5.1632 5.1968 5.4150 5.4924 5.5022 5.5161 5.7114 5.7708 5.7820 5.8999 5.9193 5.9221 6.3268 6.3687 6.4422 6.4569 7.0966 7.1284 7.7826 7.7993 9.5712 9.6903 9.8637 9.9746 10.1224 10.1484 11.0425 11.0631 12.0694 12.0957 k = 0.0000 0.0000 0.4738 ( 5546 PWs) bands (ev): -7.6260 -7.6253 -6.4088 -6.3956 -6.2599 -6.2565 -6.1504 -6.1338 -2.3064 -2.3053 0.9639 0.9670 1.1483 1.1934 1.4545 1.5448 2.1906 2.1967 2.6363 2.6575 2.7206 2.7336 2.9356 2.9482 3.0464 3.0624 3.1907 3.1968 3.2717 3.2789 3.2823 3.2897 4.7976 4.8333 4.8418 4.8639 4.8820 4.9577 4.9729 5.0105 5.0217 5.0526 5.1037 5.1287 5.1632 5.2031 5.4250 5.5032 5.5143 5.5326 5.7187 5.7753 5.8311 5.8743 5.8923 5.9491 6.3507 6.3674 6.4275 6.4335 7.0797 7.1125 7.7732 7.7909 9.5738 9.7064 9.8632 9.9693 10.1357 10.1797 11.0813 11.1004 12.0797 12.1102 k = 0.0000 0.0000 0.4944 ( 5550 PWs) bands (ev): -7.6025 -7.6018 -6.4234 -6.4100 -6.2703 -6.2669 -6.1577 -6.1407 -2.3017 -2.3005 0.9335 0.9338 1.1427 1.1813 1.4447 1.5246 2.1866 2.1903 2.6436 2.6701 2.7502 2.7645 2.9541 2.9685 3.0380 3.0551 3.1944 3.2004 3.2723 3.2838 3.2847 3.2863 4.8063 4.8293 4.8475 4.8675 4.8796 4.9628 4.9833 5.0045 5.0214 5.0547 5.1071 5.1329 5.1624 5.2072 5.4331 5.5146 5.5284 5.5502 5.7236 5.7756 5.8389 5.8563 5.8946 5.9947 6.3365 6.3484 6.4292 6.4584 7.0625 7.0961 7.7607 7.7791 9.5730 9.7146 9.8616 9.9591 10.1516 10.2130 11.1212 11.1386 12.0837 12.1193 k = 0.0000 0.0000 0.5150 ( 5552 PWs) bands (ev): -7.5791 -7.5783 -6.4368 -6.4233 -6.2804 -6.2771 -6.1658 -6.1486 -2.2978 -2.2966 0.9020 0.9035 1.1343 1.1637 1.4429 1.5103 2.1751 2.1764 2.6589 2.6911 2.7785 2.7943 2.9718 2.9879 3.0295 3.0477 3.1980 3.2038 3.2691 3.2811 3.2894 3.2924 4.8081 4.8308 4.8524 4.8718 4.8766 4.9671 4.9941 4.9996 5.0212 5.0569 5.1100 5.1365 5.1611 5.2091 5.4379 5.5268 5.5430 5.5685 5.7254 5.7701 5.8107 5.8438 5.9442 6.0422 6.3044 6.3278 6.4541 6.4891 7.0451 7.0795 7.7449 7.7639 9.5694 9.7154 9.8583 9.9453 10.1696 10.2463 11.1626 11.1780 12.0758 12.1089 k = 0.0000 0.0000 0.5356 ( 5556 PWs) bands (ev): -7.5559 -7.5550 -6.4490 -6.4353 -6.2902 -6.2870 -6.1747 -6.1573 -2.2948 -2.2936 0.8718 0.8745 1.1221 1.1413 1.4488 1.5032 2.1567 2.1576 2.6800 2.7177 2.8051 2.8226 2.9882 3.0049 3.0230 3.0414 3.2017 3.2071 3.2652 3.2772 3.2957 3.2987 4.8032 4.8377 4.8562 4.8728 4.8762 4.9698 4.9966 5.0052 5.0211 5.0590 5.1121 5.1392 5.1596 5.2086 5.4382 5.5397 5.5553 5.5874 5.7235 5.7570 5.7947 5.8374 5.9986 6.0907 6.2766 6.3074 6.4840 6.5202 7.0276 7.0628 7.7258 7.7452 9.5631 9.7096 9.8532 9.9284 10.1891 10.2785 11.2055 11.2186 12.0536 12.0778 k = 0.0000 0.0000 0.5562 ( 5554 PWs) bands (ev): -7.5330 -7.5321 -6.4597 -6.4458 -6.2998 -6.2965 -6.1845 -6.1669 -2.2925 -2.2913 0.8431 0.8466 1.1058 1.1154 1.4611 1.5034 2.1332 2.1360 2.7038 2.7469 2.8300 2.8493 3.0021 3.0082 3.0306 3.0383 3.2053 3.2103 3.2613 3.2736 3.3019 3.3048 4.7965 4.8457 4.8587 4.8688 4.8808 4.9701 4.9960 5.0164 5.0212 5.0610 5.1133 5.1405 5.1588 5.2061 5.4338 5.5520 5.5627 5.6067 5.7182 5.7426 5.7889 5.8408 6.0543 6.1394 6.2542 6.2921 6.5141 6.5505 7.0103 7.0461 7.7034 7.7229 9.5545 9.6979 9.8458 9.9088 10.2097 10.3088 11.2499 11.2609 12.0244 12.0434 k = 0.0000 0.0000 0.5768 ( 5550 PWs) bands (ev): -7.5107 -7.5098 -6.4688 -6.4548 -6.3089 -6.3057 -6.1952 -6.1774 -2.2909 -2.2897 0.8160 0.8200 1.0859 1.0876 1.4785 1.5105 2.1078 2.1120 2.7272 2.7748 2.8532 2.8742 3.0046 3.0111 3.0421 3.0473 3.2091 3.2135 3.2576 3.2703 3.3078 3.3104 4.7895 4.8532 4.8581 4.8659 4.8857 4.9685 4.9975 5.0213 5.0273 5.0628 5.1134 5.1400 5.1593 5.2019 5.4251 5.5551 5.5698 5.6256 5.7106 5.7336 5.7911 5.8536 6.1105 6.1863 6.2373 6.2839 6.5430 6.5795 6.9933 7.0297 7.6777 7.6970 9.5437 9.6812 9.8359 9.8868 10.2310 10.3369 11.2961 11.3048 11.9922 12.0076 k = 0.0000 0.0000 0.5974 ( 5556 PWs) bands (ev): -7.4890 -7.4881 -6.4764 -6.4622 -6.3176 -6.3145 -6.2067 -6.1889 -2.2899 -2.2888 0.7906 0.7949 1.0591 1.0632 1.4996 1.5233 2.0817 2.0873 2.7467 2.7971 2.8745 2.8970 3.0055 3.0168 3.0528 3.0642 3.2129 3.2167 3.2541 3.2674 3.3134 3.3156 4.7826 4.8531 4.8597 4.8655 4.8909 4.9658 5.0000 5.0215 5.0373 5.0643 5.1127 5.1379 5.1609 5.1965 5.4135 5.5441 5.5807 5.6422 5.7031 5.7290 5.8034 5.8742 6.1665 6.2247 6.2258 6.2888 6.5702 6.6069 6.9770 7.0139 7.6488 7.6676 9.5311 9.6604 9.8234 9.8626 10.2529 10.3627 11.3439 11.3506 11.9583 11.9709 k = 0.0000 0.0000 0.6180 ( 5548 PWs) bands (ev): -7.4683 -7.4674 -6.4821 -6.4677 -6.3259 -6.3228 -6.2190 -6.2012 -2.2895 -2.2884 0.7670 0.7714 1.0308 1.0390 1.5233 1.5406 2.0562 2.0631 2.7596 2.8097 2.8939 2.9171 3.0148 3.0256 3.0663 3.0803 3.2169 3.2199 3.2509 3.2648 3.3186 3.3204 4.7760 4.8459 4.8650 4.8656 4.8966 4.9628 5.0027 5.0218 5.0453 5.0657 5.1117 5.1349 5.1632 5.1904 5.4006 5.5268 5.5896 5.6516 5.7010 5.7267 5.8266 5.9013 6.2134 6.2273 6.2428 6.3176 6.5954 6.6326 6.9616 6.9990 7.6166 7.6347 9.5166 9.6361 9.8082 9.8368 10.2753 10.3862 11.3934 11.3983 11.9236 11.9340 k = 0.0000 0.0000 0.6386 ( 5552 PWs) bands (ev): -7.4486 -7.4477 -6.4861 -6.4715 -6.3336 -6.3306 -6.2322 -6.2144 -2.2895 -2.2884 0.7450 0.7494 1.0035 1.0142 1.5485 1.5608 2.0323 2.0404 2.7640 2.8109 2.9116 2.9341 3.0334 3.0407 3.0803 3.0953 3.2211 3.2233 3.2480 3.2626 3.3233 3.3246 4.7698 4.8373 4.8654 4.8692 4.9027 4.9600 5.0048 5.0223 5.0500 5.0667 5.1115 5.1318 5.1656 5.1842 5.3880 5.5072 5.5941 5.6481 5.7102 5.7275 5.8581 5.9334 6.2132 6.2483 6.2782 6.3608 6.6184 6.6566 6.9475 6.9852 7.5816 7.5985 9.5007 9.6093 9.7906 9.8095 10.2979 10.4074 11.4444 11.4480 11.8887 11.8972 k = 0.0000 0.0000 0.6592 ( 5552 PWs) bands (ev): -7.4300 -7.4292 -6.4881 -6.4733 -6.3409 -6.3378 -6.2460 -6.2283 -2.2898 -2.2888 0.7249 0.7292 0.9776 0.9896 1.5741 1.5825 2.0110 2.0202 2.7602 2.8021 2.9275 2.9484 3.0591 3.0618 3.0938 3.1089 3.2255 3.2268 3.2455 3.2607 3.3275 3.3283 4.7641 4.8275 4.8647 4.8722 4.9092 4.9575 5.0062 5.0229 5.0497 5.0675 5.1136 5.1289 5.1677 5.1784 5.3770 5.4880 5.5933 5.6363 5.7264 5.7327 5.8954 5.9695 6.2125 6.2516 6.3303 6.4065 6.6393 6.6787 6.9350 6.9729 7.5438 7.5594 9.4837 9.5804 9.7709 9.7816 10.3206 10.4264 11.4969 11.4994 11.8543 11.8611 k = 0.0000 0.0000 0.6798 ( 5552 PWs) bands (ev): -7.4128 -7.4120 -6.4882 -6.4732 -6.3475 -6.3445 -6.2605 -6.2430 -2.2904 -2.2895 0.7067 0.7108 0.9535 0.9660 1.5991 1.6043 1.9932 2.0036 2.7495 2.7863 2.9417 2.9606 3.0862 3.0884 3.1073 3.1212 3.2302 3.2304 3.2434 3.2593 3.3310 3.3314 4.7587 4.8168 4.8638 4.8742 4.9159 4.9553 5.0068 5.0236 5.0443 5.0680 5.1184 5.1268 5.1694 5.1734 5.3683 5.4701 5.5875 5.6214 5.7421 5.7444 5.9363 6.0085 6.2137 6.2551 6.3795 6.4505 6.6586 6.6993 6.9245 6.9623 7.5039 7.5179 9.4658 9.5505 9.7498 9.7535 10.3434 10.4434 11.5506 11.5525 11.8209 11.8264 k = 0.0000 0.0000 0.7004 ( 5548 PWs) bands (ev): -7.3971 -7.3964 -6.4864 -6.4711 -6.3536 -6.3505 -6.2755 -6.2583 -2.2912 -2.2903 0.6902 0.6941 0.9315 0.9438 1.6222 1.6249 1.9798 1.9911 2.7337 2.7661 2.9543 2.9710 3.1082 3.1177 3.1237 3.1327 3.2341 3.2351 3.2418 3.2584 3.3339 3.3340 4.7538 4.8054 4.8627 4.8754 4.9227 4.9535 5.0065 5.0245 5.0353 5.0681 5.1250 5.1255 5.1692 5.1705 5.3623 5.4543 5.5784 5.6057 5.7545 5.7624 5.9793 6.0495 6.2161 6.2592 6.4245 6.4905 6.6768 6.7186 6.9161 6.9536 7.4624 7.4747 9.4475 9.5201 9.7260 9.7279 10.3658 10.4584 11.6052 11.6069 11.7893 11.7936 k = 0.0000 0.0000 0.7210 ( 5552 PWs) bands (ev): -7.3830 -7.3823 -6.4827 -6.4671 -6.3591 -6.3559 -6.2910 -6.2741 -2.2921 -2.2913 0.6757 0.6793 0.9119 0.9235 1.6424 1.6431 1.9714 1.9835 2.7148 2.7433 2.9654 2.9800 3.1218 3.1371 3.1469 3.1512 3.2376 3.2390 3.2419 3.2584 3.3358 3.3364 4.7492 4.7937 4.8618 4.8758 4.9294 4.9521 5.0054 5.0240 5.0263 5.0676 5.1252 5.1319 5.1657 5.1710 5.3592 5.4406 5.5674 5.5898 5.7685 5.7794 6.0230 6.0912 6.2194 6.2638 6.4641 6.5246 6.6951 6.7371 6.9100 6.9468 7.4201 7.4305 9.4292 9.4900 9.6999 9.7060 10.3876 10.4713 11.6601 11.6619 11.7602 11.7634 k = 0.0000 0.0000 0.7416 ( 5548 PWs) bands (ev): -7.3706 -7.3700 -6.4771 -6.4613 -6.3641 -6.3606 -6.3067 -6.2903 -2.2930 -2.2922 0.6631 0.6663 0.8948 0.9052 1.6580 1.6587 1.9684 1.9808 2.6944 2.7192 2.9750 2.9875 3.1310 3.1452 3.1714 3.1767 3.2394 3.2407 3.2464 3.2595 3.3370 3.3380 4.7451 4.7821 4.8610 4.8755 4.9357 4.9511 5.0038 5.0135 5.0274 5.0663 5.1259 5.1384 5.1631 5.1709 5.3587 5.4291 5.5559 5.5745 5.7828 5.7949 6.0659 6.1326 6.2229 6.2690 6.4976 6.5511 6.7145 6.7551 6.9062 6.9417 7.3780 7.3865 9.4115 9.4613 9.6761 9.6848 10.4085 10.4822 11.7148 11.7149 11.7363 11.7364 k = 0.0000 0.0000 0.7622 ( 5550 PWs) bands (ev): -7.3600 -7.3595 -6.4698 -6.4537 -6.3685 -6.3645 -6.3224 -6.3068 -2.2938 -2.2932 0.6525 0.6552 0.8803 0.8893 1.6691 1.6707 1.9706 1.9826 2.6739 2.6953 2.9831 2.9936 3.1383 3.1508 3.1933 3.1991 3.2402 3.2431 3.2520 3.2622 3.3375 3.3388 4.7415 4.7712 4.8604 4.8745 4.9415 4.9504 5.0017 5.0036 5.0292 5.0642 5.1276 5.1435 5.1615 5.1705 5.3605 5.4195 5.5447 5.5603 5.7966 5.8084 6.1065 6.1723 6.2264 6.2745 6.5243 6.5696 6.7351 6.7725 6.9044 6.9378 7.3376 7.3441 9.3951 9.4346 9.6552 9.6651 10.4281 10.4907 11.7091 11.7123 11.7690 11.7740 k = 0.0000 0.0000 0.7828 ( 5546 PWs) bands (ev): -7.3513 -7.3508 -6.4609 -6.4446 -6.3726 -6.3678 -6.3376 -6.3233 -2.2946 -2.2941 0.6438 0.6461 0.8685 0.8759 1.6768 1.6786 1.9767 1.9877 2.6548 2.6726 2.9899 2.9983 3.1443 3.1547 3.2107 3.2156 3.2427 3.2452 3.2585 3.2666 3.3374 3.3388 4.7387 4.7613 4.8603 4.8728 4.9464 4.9501 4.9955 4.9994 5.0315 5.0612 5.1300 5.1465 5.1613 5.1699 5.3642 5.4116 5.5346 5.5474 5.8091 5.8197 6.1429 6.2080 6.2301 6.2806 6.5447 6.5809 6.7560 6.7885 6.9046 6.9348 7.3003 7.3051 9.3807 9.4107 9.6378 9.6476 10.4459 10.4969 11.6903 11.6925 11.8208 11.8266 k = 0.0000 0.0000 0.8034 ( 5542 PWs) bands (ev): -7.3444 -7.3440 -6.4507 -6.4343 -6.3768 -6.3703 -6.3516 -6.3396 -2.2952 -2.2948 0.6371 0.6389 0.8595 0.8652 1.6815 1.6833 1.9851 1.9942 2.6385 2.6524 2.9953 3.0017 3.1491 3.1572 3.2223 3.2245 3.2472 3.2478 3.2664 3.2725 3.3366 3.3381 4.7366 4.7529 4.8606 4.8708 4.9500 4.9501 4.9901 4.9968 5.0343 5.0577 5.1328 5.1469 5.1625 5.1692 5.3691 5.4049 5.5263 5.5363 5.8198 5.8284 6.1733 6.2273 6.2443 6.2870 6.5597 6.5865 6.7756 6.8019 6.9065 6.9319 7.2681 7.2714 9.3691 9.3906 9.6244 9.6329 10.4617 10.5004 11.6751 11.6767 11.8688 11.8756 k = 0.0000 0.0000 0.8240 ( 5528 PWs) bands (ev): -7.3394 -7.3392 -6.4395 -6.4237 -6.3820 -6.3722 -6.3625 -6.3552 -2.2957 -2.2954 0.6324 0.6336 0.8533 0.8572 1.6843 1.6856 1.9937 2.0002 2.6265 2.6360 2.9995 3.0038 3.1529 3.1584 3.2280 3.2282 3.2509 3.2513 3.2751 3.2789 3.3355 3.3368 4.7356 4.7461 4.8614 4.8686 4.9505 4.9519 4.9876 4.9942 5.0376 5.0537 5.1358 5.1458 5.1643 5.1686 5.3749 5.3988 5.5205 5.5274 5.8282 5.8343 6.1964 6.2289 6.2681 6.2929 6.5706 6.5882 6.7923 6.8110 6.9101 6.9286 7.2432 7.2452 9.3609 9.3748 9.6152 9.6215 10.4752 10.5012 11.6642 11.6652 11.9105 11.9176 k = 0.0000 0.0000 0.8446 ( 5520 PWs) bands (ev): -7.3364 -7.3363 -6.4279 -6.4158 -6.3870 -6.3746 -6.3686 -6.3683 -2.2959 -2.2958 0.6297 0.6303 0.8500 0.8519 1.6858 1.6865 2.0004 2.0039 2.6197 2.6246 3.0024 3.0046 3.1557 3.1585 3.2298 3.2301 3.2533 3.2537 3.2820 3.2838 3.3346 3.3353 4.7359 4.7410 4.8627 4.8664 4.9511 4.9523 4.9876 4.9916 5.0413 5.0495 5.1387 5.1439 5.1659 5.1679 5.3810 5.3930 5.5175 5.5211 5.8341 5.8372 6.2122 6.2270 6.2854 6.2963 6.5783 6.5870 6.8049 6.8147 6.9147 6.9246 7.2273 7.2283 9.3571 9.3639 9.6104 9.6137 10.4860 10.4990 11.6577 11.6582 11.9417 11.9468 k = 0.0000 0.0000 0.8652 ( 5520 PWs) bands (ev): -7.3354 -7.3354 -6.4180 -6.4180 -6.3835 -6.3835 -6.3708 -6.3708 -2.2960 -2.2960 0.6290 0.6290 0.8495 0.8495 1.6865 1.6865 2.0040 2.0040 2.6190 2.6190 3.0041 3.0041 3.1576 3.1576 3.2305 3.2305 3.2543 3.2543 3.2852 3.2852 3.3344 3.3344 4.7376 4.7376 4.8644 4.8644 4.9518 4.9518 4.9892 4.9892 5.0453 5.0453 5.1415 5.1415 5.1670 5.1670 5.3871 5.3871 5.5177 5.5177 5.8372 5.8372 6.2218 6.2218 6.2945 6.2945 6.5836 6.5836 6.8125 6.8125 6.9198 6.9198 7.2222 7.2222 9.3579 9.3579 9.6100 9.6100 10.4940 10.4940 11.6557 11.6557 11.9557 11.9557 k = 0.0000 0.0000 0.8652 ( 5520 PWs) bands (ev): -7.3354 -7.3354 -6.4180 -6.4180 -6.3835 -6.3835 -6.3708 -6.3708 -2.2960 -2.2960 0.6290 0.6290 0.8495 0.8495 1.6865 1.6865 2.0040 2.0040 2.6190 2.6190 3.0041 3.0041 3.1576 3.1576 3.2305 3.2305 3.2543 3.2543 3.2852 3.2852 3.3344 3.3344 4.7376 4.7376 4.8644 4.8644 4.9518 4.9518 4.9892 4.9892 5.0453 5.0453 5.1415 5.1415 5.1670 5.1670 5.3871 5.3871 5.5177 5.5177 5.8372 5.8372 6.2218 6.2218 6.2945 6.2945 6.5836 6.5836 6.8125 6.8125 6.9198 6.9198 7.2222 7.2222 9.3579 9.3579 9.6100 9.6100 10.4940 10.4940 11.6557 11.6557 11.9557 11.9557 k =-0.0114 0.0161 0.8652 ( 5532 PWs) bands (ev): -7.3355 -7.3354 -6.4180 -6.4174 -6.3852 -6.3824 -6.3727 -6.3697 -2.2952 -2.2951 0.6281 0.6321 0.8496 0.8522 1.6866 1.6866 2.0039 2.0045 2.6189 2.6197 3.0008 3.0061 3.1567 3.1581 3.2281 3.2294 3.2492 3.2583 3.2799 3.2908 3.3312 3.3377 4.7365 4.7388 4.8618 4.8671 4.9509 4.9512 4.9877 4.9912 5.0437 5.0463 5.1400 5.1424 5.1642 5.1702 5.3830 5.3915 5.5153 5.5197 5.8308 5.8412 6.2197 6.2240 6.2939 6.2945 6.5791 6.5854 6.8096 6.8122 6.9169 6.9182 7.2248 7.2253 9.3588 9.3604 9.6116 9.6150 10.4928 10.4935 11.6460 11.6548 11.9539 11.9572 k =-0.0228 0.0322 0.8652 ( 5538 PWs) bands (ev): -7.3357 -7.3356 -6.4175 -6.4163 -6.3874 -6.3821 -6.3750 -6.3690 -2.2928 -2.2927 0.6294 0.6374 0.8523 0.8575 1.6869 1.6869 2.0040 2.0052 2.6193 2.6210 2.9961 3.0068 3.1554 3.1582 3.2226 3.2252 3.2429 3.2598 3.2767 3.2963 3.3285 3.3407 4.7356 4.7401 4.8593 4.8700 4.9484 4.9493 4.9870 4.9936 5.0416 5.0469 5.1377 5.1432 5.1624 5.1732 5.3792 5.3962 5.5127 5.5214 5.8224 5.8430 6.2178 6.2260 6.2930 6.2939 6.5716 6.5844 6.8036 6.8085 6.9093 6.9119 7.2330 7.2341 9.3629 9.3659 9.6199 9.6268 10.4899 10.4913 11.6267 11.6432 11.9522 11.9579 k =-0.0342 0.0483 0.8652 ( 5538 PWs) bands (ev): -7.3360 -7.3359 -6.4169 -6.4146 -6.3900 -6.3832 -6.3771 -6.3688 -2.2888 -2.2886 0.6329 0.6448 0.8578 0.8654 1.6874 1.6874 2.0044 2.0063 2.6203 2.6227 2.9898 3.0061 3.1535 3.1579 3.2147 3.2186 3.2348 3.2563 3.2780 3.3017 3.3261 3.3429 4.7350 4.7416 4.8570 4.8731 4.9445 4.9464 4.9871 4.9961 5.0393 5.0470 5.1342 5.1440 5.1619 5.1759 5.3759 5.4011 5.5097 5.5228 5.8121 5.8426 6.2161 6.2276 6.2918 6.2926 6.5611 6.5809 6.7947 6.8017 6.8976 6.9013 7.2467 7.2483 9.3697 9.3738 9.6348 9.6453 10.4852 10.4873 11.5994 11.6216 11.9502 11.9567 k =-0.0456 0.0644 0.8652 ( 5550 PWs) bands (ev): -7.3365 -7.3364 -6.4165 -6.4123 -6.3927 -6.3867 -6.3780 -6.3688 -2.2834 -2.2831 0.6386 0.6543 0.8659 0.8760 1.6881 1.6881 2.0051 2.0076 2.6218 2.6251 2.9819 3.0040 3.1510 3.1571 3.2052 3.2096 3.2254 3.2496 3.2819 3.3069 3.3238 3.3443 4.7347 4.7431 4.8548 4.8765 4.9395 4.9427 4.9876 4.9984 5.0367 5.0464 5.1297 5.1448 5.1626 5.1779 5.3730 5.4063 5.5065 5.5239 5.8002 5.8400 6.2147 6.2283 6.2904 6.2906 6.5475 6.5747 6.7834 6.7919 6.8821 6.8869 7.2654 7.2676 9.3785 9.3836 9.6561 9.6703 10.4785 10.4815 11.5655 11.5914 11.9471 11.9529 k =-0.0570 0.0805 0.8652 ( 5546 PWs) bands (ev): -7.3371 -7.3371 -6.4173 -6.4095 -6.3946 -6.3921 -6.3779 -6.3689 -2.2765 -2.2762 0.6465 0.6658 0.8768 0.8892 1.6889 1.6889 2.0061 2.0093 2.6238 2.6279 2.9721 3.0005 3.1476 3.1556 3.1949 3.1983 3.2159 3.2418 3.2865 3.3119 3.3213 3.3444 4.7347 4.7446 4.8528 4.8801 4.9337 4.9385 4.9886 5.0006 5.0339 5.0453 5.1245 5.1459 5.1643 5.1791 5.3707 5.4118 5.5030 5.5247 5.7868 5.8354 6.2134 6.2278 6.2874 6.2899 6.5308 6.5661 6.7701 6.7796 6.8635 6.8692 7.2889 7.2917 9.3886 9.3943 9.6833 9.7013 10.4695 10.4735 11.5268 11.5545 11.9420 11.9458 k =-0.0684 0.0966 0.8652 ( 5550 PWs) bands (ev): -7.3380 -7.3379 -6.4204 -6.4064 -6.3988 -6.3945 -6.3774 -6.3690 -2.2683 -2.2681 0.6566 0.6794 0.8903 0.9049 1.6898 1.6898 2.0073 2.0112 2.6263 2.6311 2.9602 2.9950 3.1428 3.1527 3.1849 3.1852 3.2069 3.2334 3.2913 3.3166 3.3184 3.3434 4.7351 4.7462 4.8508 4.8839 4.9273 4.9338 4.9896 5.0026 5.0310 5.0436 5.1189 5.1469 5.1666 5.1796 5.3689 5.4175 5.4992 5.5252 5.7723 5.8290 6.2122 6.2254 6.2832 6.2899 6.5111 6.5550 6.7551 6.7651 6.8424 6.8489 7.3167 7.3199 9.3992 9.4054 9.7158 9.7375 10.4581 10.4631 11.4846 11.5125 11.9343 11.9354 k =-0.0798 0.1127 0.8652 ( 5542 PWs) bands (ev): -7.3392 -7.3390 -6.4261 -6.4071 -6.4025 -6.3922 -6.3763 -6.3691 -2.2591 -2.2588 0.6689 0.6948 0.9065 0.9231 1.6906 1.6907 2.0088 2.0133 2.6293 2.6348 2.9459 2.9874 3.1364 3.1468 3.1734 3.1761 3.1986 3.2248 3.2960 3.3146 3.3212 3.3412 4.7360 4.7477 4.8490 4.8879 4.9205 4.9289 4.9906 5.0044 5.0280 5.0414 5.1131 5.1480 5.1695 5.1794 5.3678 5.4234 5.4952 5.5255 5.7571 5.8211 6.2110 6.2207 6.2779 6.2909 6.4888 6.5416 6.7386 6.7488 6.8197 6.8267 7.3482 7.3519 9.4095 9.4163 9.7526 9.7776 10.4439 10.4502 11.4403 11.4673 11.9216 11.9237 k =-0.0912 0.1288 0.8652 ( 5554 PWs) bands (ev): -7.3406 -7.3405 -6.4338 -6.4158 -6.3990 -6.3883 -6.3746 -6.3689 -2.2489 -2.2486 0.6833 0.7122 0.9253 0.9437 1.6914 1.6915 2.0106 2.0158 2.6326 2.6389 2.9291 2.9770 3.1282 3.1359 3.1657 3.1690 3.1906 3.2163 3.3004 3.3101 3.3254 3.3377 4.7372 4.7491 4.8473 4.8919 4.9134 4.9239 4.9913 5.0060 5.0252 5.0387 5.1071 5.1489 5.1725 5.1785 5.3672 5.4295 5.4910 5.5256 5.7412 5.8117 6.2094 6.2134 6.2711 6.2928 6.4645 6.5260 6.7206 6.7310 6.7963 6.8033 7.3831 7.3871 9.4190 9.4263 9.7924 9.8203 10.4267 10.4344 11.3952 11.4204 11.9046 11.9101 k =-0.1026 0.1449 0.8652 ( 5562 PWs) bands (ev): -7.3424 -7.3422 -6.4430 -6.4257 -6.3953 -6.3833 -6.3719 -6.3684 -2.2379 -2.2376 0.6999 0.7313 0.9467 0.9667 1.6919 1.6921 2.0125 2.0185 2.6363 2.6432 2.9095 2.9632 3.1189 3.1219 3.1616 3.1636 3.1830 3.2078 3.3045 3.3048 3.3293 3.3333 4.7390 4.7503 4.8457 4.8958 4.9061 4.9191 4.9915 5.0076 5.0226 5.0356 5.1011 5.1496 5.1758 5.1773 5.3674 5.4359 5.4866 5.5254 5.7251 5.8011 6.2035 6.2070 6.2626 6.2956 6.4390 6.5087 6.7009 6.7120 6.7730 6.7795 7.4208 7.4251 9.4271 9.4351 9.8335 9.8639 10.4063 10.4155 11.3507 11.3734 11.8847 11.8937 k =-0.1140 0.1609 0.8652 ( 5566 PWs) bands (ev): -7.3445 -7.3443 -6.4533 -6.4364 -6.3919 -6.3773 -6.3680 -6.3676 -2.2263 -2.2261 0.7186 0.7522 0.9706 0.9919 1.6922 1.6924 2.0147 2.0214 2.6402 2.6477 2.8873 2.9454 3.1080 3.1093 3.1591 3.1594 3.1758 3.1995 3.2987 3.3082 3.3279 3.3328 4.7412 4.7513 4.8442 4.8985 4.8988 4.9155 4.9911 5.0092 5.0205 5.0323 5.0951 5.1500 5.1761 5.1793 5.3682 5.4425 5.4820 5.5251 5.7090 5.7895 6.1909 6.2030 6.2525 6.2988 6.4137 6.4899 6.6793 6.6918 6.7509 6.7560 7.4607 7.4652 9.4333 9.4421 9.8743 9.9064 10.3827 10.3934 11.3077 11.3276 11.8624 11.8749 k =-0.1254 0.1770 0.8652 ( 5566 PWs) bands (ev): -7.3471 -7.3469 -6.4645 -6.4479 -6.3887 -6.3708 -6.3661 -6.3629 -2.2144 -2.2143 0.7394 0.7749 0.9969 1.0193 1.6920 1.6923 2.0172 2.0245 2.6442 2.6523 2.8626 2.9235 3.0957 3.1002 3.1560 3.1572 3.1690 3.1915 3.2920 3.3107 3.3225 3.3360 4.7440 4.7519 4.8429 4.8908 4.8993 4.9146 4.9896 5.0106 5.0190 5.0290 5.0893 5.1499 5.1751 5.1828 5.3698 5.4494 5.4773 5.5247 5.6931 5.7772 6.1756 6.1952 6.2418 6.3023 6.3898 6.4703 6.6557 6.6705 6.7303 6.7333 7.5025 7.5071 9.4372 9.4468 9.9130 9.9460 10.3557 10.3680 11.2676 11.2844 11.8381 11.8541 k =-0.1254 0.1770 0.8652 ( 5566 PWs) bands (ev): -7.3471 -7.3469 -6.4645 -6.4479 -6.3887 -6.3708 -6.3661 -6.3629 -2.2144 -2.2143 0.7394 0.7749 0.9969 1.0193 1.6920 1.6923 2.0172 2.0245 2.6442 2.6523 2.8626 2.9235 3.0957 3.1002 3.1560 3.1572 3.1690 3.1915 3.2920 3.3107 3.3225 3.3360 4.7440 4.7519 4.8429 4.8908 4.8993 4.9146 4.9896 5.0106 5.0190 5.0290 5.0893 5.1499 5.1751 5.1828 5.3698 5.4494 5.4773 5.5247 5.6931 5.7772 6.1756 6.1952 6.2418 6.3023 6.3898 6.4703 6.6557 6.6705 6.7303 6.7333 7.5025 7.5071 9.4372 9.4468 9.9130 9.9460 10.3557 10.3680 11.2676 11.2844 11.8381 11.8541 k =-0.1339 0.1891 0.8504 ( 5558 PWs) bands (ev): -7.3497 -7.3494 -6.4733 -6.4569 -6.3915 -6.3739 -6.3604 -6.3482 -2.2053 -2.2052 0.7568 0.7933 1.0188 1.0418 1.6915 1.6924 2.0176 2.0258 2.6481 2.6574 2.8424 2.9043 3.0869 3.0936 3.1518 3.1567 3.1641 3.1856 3.2867 3.3102 3.3197 3.3381 4.7467 4.7526 4.8421 4.8849 4.8977 4.9161 4.9877 5.0117 5.0184 5.0272 5.0848 5.1496 5.1747 5.1854 5.3710 5.4540 5.4747 5.5262 5.6813 5.7675 6.1599 6.1829 6.2336 6.3039 6.3736 6.4553 6.6345 6.6573 6.7072 6.7257 7.5360 7.5408 9.4387 9.4495 9.9393 9.9744 10.3299 10.3488 11.2423 11.2568 11.8181 11.8366 k =-0.1424 0.2011 0.8357 ( 5558 PWs) bands (ev): -7.3530 -7.3527 -6.4822 -6.4659 -6.3985 -6.3828 -6.3452 -6.3313 -2.1962 -2.1960 0.7762 0.8134 1.0433 1.0669 1.6910 1.6927 2.0152 2.0246 2.6536 2.6658 2.8209 2.8826 3.0779 3.0863 3.1463 3.1536 3.1608 3.1798 3.2815 3.3066 3.3191 3.3395 4.7502 4.7540 4.8411 4.8788 4.8955 4.9182 4.9851 5.0125 5.0187 5.0264 5.0801 5.1491 5.1744 5.1878 5.3716 5.4570 5.4744 5.5314 5.6699 5.7574 6.1375 6.1612 6.2256 6.3033 6.3580 6.4396 6.6111 6.6485 6.6822 6.7208 7.5727 7.5776 9.4391 9.4518 9.9617 10.0034 10.2973 10.3302 11.2244 11.2367 11.7963 11.8170 k =-0.1509 0.2131 0.8210 ( 5556 PWs) bands (ev): -7.3571 -7.3567 -6.4910 -6.4748 -6.4060 -6.3915 -6.3287 -6.3138 -2.1870 -2.1866 0.7976 0.8351 1.0703 1.0944 1.6906 1.6933 2.0101 2.0208 2.6603 2.6764 2.7984 2.8588 3.0687 3.0780 3.1393 3.1469 3.1596 3.1748 3.2768 3.3020 3.3190 3.3399 4.7537 4.7566 4.8399 4.8727 4.8931 4.9204 4.9817 5.0128 5.0205 5.0264 5.0755 5.1484 5.1744 5.1902 5.3717 5.4576 5.4772 5.5399 5.6593 5.7474 6.1095 6.1316 6.2173 6.2999 6.3418 6.4226 6.5884 6.6423 6.6577 6.7175 7.6117 7.6169 9.4378 9.4530 9.9782 10.0329 10.2601 10.3118 11.2149 11.2253 11.7736 11.7964 k =-0.1594 0.2251 0.8062 ( 5548 PWs) bands (ev): -7.3617 -7.3613 -6.4996 -6.4835 -6.4135 -6.3999 -6.3114 -6.2959 -2.1778 -2.1772 0.8208 0.8583 1.0998 1.1244 1.6904 1.6942 2.0026 2.0144 2.6668 2.6880 2.7761 2.8333 3.0596 3.0689 3.1304 3.1376 3.1593 3.1712 3.2727 3.2974 3.3186 3.3397 4.7563 4.7613 4.8384 4.8667 4.8909 4.9221 4.9775 5.0129 5.0228 5.0276 5.0714 5.1476 5.1748 5.1925 5.3718 5.4564 5.4829 5.5510 5.6499 5.7377 6.0769 6.0967 6.2074 6.2930 6.3243 6.4040 6.5677 6.6298 6.6431 6.7161 7.6524 7.6578 9.4342 9.4522 9.9871 10.0619 10.2197 10.2958 11.2146 11.2231 11.7508 11.7753 k =-0.1679 0.2372 0.7915 ( 5547 PWs) bands (ev): -7.3668 -7.3663 -6.5081 -6.4921 -6.4209 -6.4082 -6.2938 -6.2779 -2.1686 -2.1679 0.8458 0.8829 1.1316 1.1567 1.6903 1.6954 1.9931 2.0059 2.6701 2.6985 2.7566 2.8071 3.0506 3.0595 3.1193 3.1261 3.1596 3.1689 3.2694 3.2933 3.3178 3.3387 4.7584 4.7673 4.8360 4.8610 4.8890 4.9231 4.9727 5.0131 5.0250 5.0296 5.0686 5.1467 5.1754 5.1948 5.3723 5.4545 5.4908 5.5640 5.6420 5.7287 6.0411 6.0583 6.1951 6.2817 6.3051 6.3835 6.5495 6.6072 6.6424 6.7165 7.6941 7.6997 9.4278 9.4487 9.9867 10.0878 10.1792 10.2844 11.2236 11.2306 11.7287 11.7546 k =-0.1765 0.2492 0.7768 ( 5547 PWs) bands (ev): -7.3722 -7.3717 -6.5163 -6.5004 -6.4281 -6.4162 -6.2762 -6.2598 -2.1596 -2.1587 0.8724 0.9087 1.1656 1.1912 1.6903 1.6969 1.9818 1.9954 2.6651 2.7034 2.7459 2.7829 3.0420 3.0501 3.1065 3.1125 3.1605 3.1677 3.2668 3.2899 3.3167 3.3372 4.7603 4.7739 4.8328 4.8559 4.8875 4.9233 4.9675 5.0134 5.0272 5.0314 5.0682 5.1460 5.1764 5.1972 5.3737 5.4525 5.5001 5.5782 5.6357 5.7206 6.0031 6.0178 6.1795 6.2654 6.2844 6.3612 6.5342 6.5857 6.6447 6.7187 7.7360 7.7418 9.4180 9.4421 9.9766 10.0959 10.1545 10.2795 11.2418 11.2474 11.7076 11.7346 k =-0.1850 0.2612 0.7620 ( 5545 PWs) bands (ev): -7.3779 -7.3773 -6.5242 -6.5084 -6.4350 -6.4239 -6.2586 -6.2419 -2.1508 -2.1497 0.9005 0.9356 1.2015 1.2279 1.6904 1.6987 1.9693 1.9834 2.6478 2.6955 2.7479 2.7661 3.0342 3.0415 3.0920 3.0973 3.1622 3.1673 3.2649 3.2871 3.3153 3.3352 4.7620 4.7810 4.8282 4.8515 4.8865 4.9225 4.9618 5.0135 5.0292 5.0327 5.0707 5.1456 5.1776 5.1998 5.3765 5.4508 5.5103 5.5932 5.6313 5.7137 5.9643 5.9762 6.1606 6.2439 6.2621 6.3373 6.5219 6.5668 6.6488 6.7225 7.7776 7.7836 9.4046 9.4317 9.9578 10.0648 10.1679 10.2815 11.2686 11.2730 11.6882 11.7158 k =-0.1935 0.2732 0.7473 ( 5541 PWs) bands (ev): -7.3836 -7.3830 -6.5317 -6.5161 -6.4416 -6.4312 -6.2414 -6.2243 -2.1423 -2.1410 0.9299 0.9635 1.2391 1.2666 1.6902 1.7008 1.9559 1.9703 2.6211 2.6728 2.7559 2.7610 3.0275 3.0340 3.0763 3.0809 3.1643 3.1676 3.2636 3.2849 3.3138 3.3330 4.7631 4.7883 4.8225 4.8479 4.8860 4.9208 4.9559 5.0136 5.0295 5.0355 5.0760 5.1458 5.1792 5.2028 5.3810 5.4495 5.5212 5.6082 5.6289 5.7083 5.9255 5.9345 6.1384 6.2181 6.2375 6.3122 6.5123 6.5512 6.6541 6.7275 7.8182 7.8245 9.3875 9.4173 9.9329 10.0218 10.1935 10.2893 11.3031 11.3066 11.6709 11.6987 k =-0.2020 0.2852 0.7326 ( 5549 PWs) bands (ev): -7.3894 -7.3888 -6.5389 -6.5234 -6.4479 -6.4382 -6.2246 -6.2072 -2.1340 -2.1326 0.9605 0.9921 1.2780 1.3074 1.6897 1.7032 1.9420 1.9566 2.5891 2.6405 2.7627 2.7642 3.0223 3.0277 3.0597 3.0642 3.1664 3.1689 3.2628 3.2831 3.3121 3.3305 4.7637 4.7953 4.8162 4.8448 4.8859 4.9183 4.9497 5.0134 5.0285 5.0399 5.0831 5.1467 5.1809 5.2064 5.3871 5.4489 5.5324 5.6188 5.6317 5.7047 5.8879 5.8932 6.1132 6.1890 6.2106 6.2859 6.5049 6.5390 6.6603 6.7334 7.8574 7.8638 9.3666 9.3987 9.9048 9.9785 10.2208 10.3012 11.3438 11.3469 11.6564 11.6839 k =-0.2105 0.2973 0.7178 ( 5541 PWs) bands (ev): -7.3951 -7.3944 -6.5456 -6.5302 -6.4538 -6.4448 -6.2084 -6.1907 -2.1262 -2.1246 0.9921 1.0212 1.3179 1.3501 1.6887 1.7058 1.9280 1.9427 2.5536 2.6029 2.7662 2.7707 3.0178 3.0220 3.0422 3.0497 3.1680 3.1717 3.2624 3.2817 3.3106 3.3279 4.7636 4.8002 4.8110 4.8421 4.8863 4.9150 4.9435 5.0132 5.0275 5.0454 5.0912 5.1486 5.1829 5.2108 5.3952 5.4490 5.5437 5.6194 5.6445 5.7031 5.8525 5.8535 6.0854 6.1572 6.1820 6.2588 6.4993 6.5301 6.6670 6.7398 7.8946 7.9011 9.3425 9.3760 9.8759 9.9375 10.2481 10.3159 11.3888 11.3921 11.6458 11.6724 k =-0.2190 0.3093 0.7031 ( 5543 PWs) bands (ev): -7.4007 -7.4000 -6.5520 -6.5367 -6.4593 -6.4511 -6.1930 -6.1751 -2.1187 -2.1170 1.0244 1.0506 1.3582 1.3945 1.6869 1.7088 1.9143 1.9289 2.5155 2.5619 2.7692 2.7750 3.0078 3.0176 3.0262 3.0415 3.1696 3.1752 3.2623 3.2806 3.3090 3.3252 4.7628 4.7974 4.8128 4.8395 4.8871 4.9113 4.9375 5.0129 5.0271 5.0515 5.0995 5.1513 5.1851 5.2162 5.4051 5.4499 5.5548 5.6159 5.6597 5.7028 5.8161 5.8211 6.0556 6.1231 6.1524 6.2308 6.4951 6.5240 6.6740 6.7465 7.9294 7.9361 9.3157 9.3498 9.8480 9.9001 10.2749 10.3323 11.4352 11.4390 11.6413 11.6659 k =-0.2275 0.3213 0.6884 ( 5537 PWs) bands (ev): -7.4060 -7.4052 -6.5578 -6.5427 -6.4643 -6.4569 -6.1784 -6.1603 -2.1118 -2.1099 1.0571 1.0801 1.3982 1.4403 1.6843 1.7126 1.9012 1.9158 2.4751 2.5182 2.7709 2.7769 2.9919 3.0021 3.0243 3.0397 3.1714 3.1793 3.2624 3.2797 3.3076 3.3225 4.7613 4.7905 4.8176 4.8372 4.8883 4.9072 4.9322 5.0125 5.0273 5.0583 5.1077 5.1550 5.1879 5.2227 5.4167 5.4516 5.5651 5.6096 5.6748 5.7024 5.7834 5.7951 6.0243 6.0874 6.1228 6.2021 6.4919 6.5201 6.6810 6.7532 7.9615 7.9683 9.2870 9.3209 9.8223 9.8667 10.3011 10.3497 11.4774 11.4826 11.6473 11.6683 k =-0.2361 0.3333 0.6736 ( 5539 PWs) bands (ev): -7.4110 -7.4102 -6.5632 -6.5481 -6.4690 -6.4622 -6.1649 -6.1465 -2.1053 -2.1033 1.0899 1.1093 1.4371 1.4872 1.6808 1.7177 1.8891 1.9037 2.4326 2.4723 2.7712 2.7771 2.9737 2.9830 3.0279 3.0417 3.1736 3.1836 3.2627 3.2790 3.3063 3.3199 4.7592 4.7829 4.8211 4.8358 4.8898 4.9029 4.9279 5.0121 5.0279 5.0655 5.1153 5.1592 5.1915 5.2303 5.4298 5.4542 5.5724 5.6016 5.6885 5.6976 5.7597 5.7765 5.9923 6.0508 6.0936 6.1730 6.4897 6.5177 6.6879 6.7598 7.9905 7.9974 9.2575 9.2901 9.7993 9.8373 10.3264 10.3675 11.5074 11.5157 11.6704 11.6856 k =-0.2446 0.3454 0.6589 ( 5541 PWs) bands (ev): -7.4156 -7.4148 -6.5681 -6.5531 -6.4732 -6.4671 -6.1525 -6.1339 -2.0994 -2.0973 1.1224 1.1379 1.4732 1.5339 1.6773 1.7253 1.8783 1.8930 2.3883 2.4244 2.7705 2.7761 2.9548 2.9639 3.0330 3.0456 3.1760 3.1881 3.2632 3.2784 3.3052 3.3173 4.7567 4.7756 4.8220 4.8361 4.8916 4.8984 4.9250 5.0116 5.0288 5.0730 5.1222 5.1634 5.1964 5.2392 5.4438 5.4578 5.5700 5.5973 5.6821 5.7031 5.7487 5.7678 5.9601 6.0141 6.0653 6.1435 6.4881 6.5165 6.6944 6.7661 8.0162 8.0232 9.2282 9.2588 9.7792 9.8120 10.3505 10.3853 11.5223 11.5336 11.7115 11.7211 k =-0.2531 0.3574 0.6442 ( 5559 PWs) bands (ev): -7.4199 -7.4191 -6.5724 -6.5575 -6.4769 -6.4715 -6.1413 -6.1225 -2.0942 -2.0920 1.1542 1.1657 1.5048 1.5772 1.6767 1.7371 1.8690 1.8838 2.3424 2.3747 2.7692 2.7747 2.9360 2.9454 3.0388 3.0503 3.1786 3.1927 3.2636 3.2779 3.3042 3.3148 4.7538 4.7686 4.8205 4.8375 4.8922 4.8951 4.9236 5.0110 5.0298 5.0805 5.1282 5.1669 5.2030 5.2490 5.4548 5.4652 5.5564 5.5963 5.6669 5.7126 5.7470 5.7685 5.9283 5.9781 6.0383 6.1138 6.4871 6.5158 6.7006 6.7719 8.0385 8.0456 9.2003 9.2281 9.7621 9.7904 10.3732 10.4026 11.5272 11.5397 11.7634 11.7696 k =-0.2616 0.3694 0.6294 ( 5548 PWs) bands (ev): -7.4236 -7.4228 -6.5762 -6.5614 -6.4801 -6.4754 -6.1314 -6.1125 -2.0895 -2.0872 1.1846 1.1923 1.5297 1.6069 1.6892 1.7552 1.8614 1.8765 2.2950 2.3234 2.7679 2.7733 2.9180 2.9278 3.0445 3.0554 3.1813 3.1972 3.2642 3.2775 3.3035 3.3125 4.7508 4.7623 4.8180 4.8392 4.8881 4.8969 4.9235 5.0105 5.0308 5.0879 5.1336 5.1692 5.2120 5.2598 5.4574 5.4801 5.5403 5.5886 5.6607 5.7171 5.7526 5.7752 5.8977 5.9440 6.0132 6.0842 6.4866 6.5156 6.7063 6.7772 8.0575 8.0645 9.1746 9.1992 9.7477 9.7724 10.3940 10.4189 11.5278 11.5397 11.8184 11.8228 k =-0.2701 0.3814 0.6147 ( 5546 PWs) bands (ev): -7.4269 -7.4260 -6.5795 -6.5647 -6.4827 -6.4787 -6.1229 -6.1038 -2.0855 -2.0832 1.2121 1.2179 1.5469 1.6138 1.7241 1.7807 1.8554 1.8710 2.2465 2.2707 2.7669 2.7723 2.9011 2.9115 3.0497 3.0603 3.1839 3.2015 3.2648 3.2772 3.3029 3.3104 4.7478 4.7566 4.8152 4.8405 4.8836 4.8991 4.9243 5.0100 5.0316 5.0949 5.1384 5.1703 5.2229 5.2709 5.4535 5.4972 5.5273 5.5738 5.6647 5.7177 5.7614 5.7853 5.8688 5.9126 5.9903 6.0549 6.4864 6.5157 6.7113 6.7819 8.0731 8.0801 9.1519 9.1729 9.7359 9.7575 10.4127 10.4338 11.5267 11.5372 11.8709 11.8744 k =-0.2786 0.3935 0.6000 ( 5548 PWs) bands (ev): -7.4296 -7.4287 -6.5821 -6.5675 -6.4849 -6.4815 -6.1158 -6.0967 -2.0823 -2.0798 1.2352 1.2426 1.5570 1.6078 1.7717 1.8128 1.8511 1.8679 2.1972 2.2168 2.7667 2.7718 2.8859 2.8970 3.0541 3.0646 3.1864 3.2054 3.2653 3.2769 3.3024 3.3086 4.7451 4.7519 4.8126 4.8414 4.8797 4.9012 4.9257 5.0095 5.0322 5.1012 5.1428 5.1701 5.2353 5.2818 5.4428 5.5136 5.5197 5.5593 5.6738 5.7167 5.7678 5.7986 5.8432 5.8854 5.9704 6.0264 6.4864 6.5158 6.7155 6.7858 8.0854 8.0925 9.1330 9.1501 9.7265 9.7456 10.4287 10.4469 11.5254 11.5339 11.9168 11.9197 k =-0.2871 0.4055 0.5852 ( 5543 PWs) bands (ev): -7.4317 -7.4308 -6.5842 -6.5696 -6.4866 -6.4837 -6.1103 -6.0911 -2.0797 -2.0772 1.2537 1.2648 1.5621 1.5979 1.8223 1.8442 1.8505 1.8719 2.1472 2.1621 2.7672 2.7716 2.8729 2.8848 3.0575 3.0683 3.1885 3.2086 3.2657 3.2767 3.3021 3.3070 4.7429 4.7481 4.8105 4.8420 4.8764 4.9028 4.9273 5.0092 5.0327 5.1065 5.1469 5.1689 5.2484 5.2916 5.4277 5.5112 5.5306 5.5516 5.6847 5.7154 5.7667 5.8139 5.8244 5.8634 5.9544 5.9991 6.4865 6.5160 6.7189 6.7889 8.0948 8.1018 9.1183 9.1315 9.7194 9.7365 10.4417 10.4575 11.5243 11.5307 11.9534 11.9560 k =-0.2957 0.4175 0.5705 ( 5542 PWs) bands (ev): -7.4332 -7.4324 -6.5857 -6.5711 -6.4878 -6.4854 -6.1063 -6.0870 -2.0778 -2.0753 1.2677 1.2823 1.5647 1.5875 1.8447 1.8521 1.8829 1.9029 2.0972 2.1069 2.7683 2.7717 2.8628 2.8754 3.0600 3.0710 3.1901 3.2111 3.2661 3.2766 3.3020 3.3058 4.7411 4.7453 4.8088 4.8423 4.8739 4.9041 4.9287 5.0089 5.0330 5.1105 5.1509 5.1670 5.2609 5.2995 5.4126 5.5024 5.5433 5.5518 5.6957 5.7149 5.7553 5.8158 5.8266 5.8501 5.9428 5.9743 6.4866 6.5162 6.7214 6.7912 8.1013 8.1082 9.1082 9.1173 9.7144 9.7301 10.4513 10.4655 11.5237 11.5280 11.9795 11.9818 k =-0.3042 0.4295 0.5558 ( 5541 PWs) bands (ev): -7.4342 -7.4333 -6.5866 -6.5720 -6.4884 -6.4864 -6.1039 -6.0846 -2.0767 -2.0741 1.2764 1.2937 1.5672 1.5787 1.8439 1.8542 1.9358 1.9469 2.0477 2.0519 2.7697 2.7715 2.8564 2.8694 3.0615 3.0727 3.1911 3.2127 3.2663 3.2765 3.3020 3.3050 4.7401 4.7436 4.8078 4.8426 4.8724 4.9048 4.9297 5.0087 5.0331 5.1130 5.1543 5.1646 5.2708 5.3044 5.4012 5.4952 5.5516 5.5549 5.7065 5.7162 5.7386 5.8148 5.8255 5.8536 5.9366 5.9544 6.4867 6.5163 6.7230 6.7926 8.1051 8.1120 9.1027 9.1080 9.7114 9.7263 10.4572 10.4704 11.5237 11.5259 11.9950 11.9970 k =-0.3127 0.4415 0.5411 ( 5549 PWs) bands (ev): -7.4345 -7.4336 -6.5869 -6.5723 -6.4886 -6.4867 -6.1031 -6.0837 -2.0763 -2.0738 1.2794 1.2976 1.5698 1.5736 1.8435 1.8543 1.9791 1.9826 2.0088 2.0102 2.7707 2.7710 2.8542 2.8673 3.0619 3.0732 3.1914 3.2132 3.2663 3.2764 3.3020 3.3047 4.7397 4.7431 4.8074 4.8426 4.8718 4.9050 4.9300 5.0086 5.0331 5.1139 5.1560 5.1632 5.2746 5.3059 5.3969 5.4924 5.5545 5.5564 5.7129 5.7218 5.7244 5.8159 5.8216 5.8585 5.9356 5.9452 6.4867 6.5163 6.7235 6.7930 8.1064 8.1132 9.1013 9.1044 9.7105 9.7251 10.4592 10.4720 11.5241 11.5247 12.0000 12.0019 k =-0.3127 0.4415 0.5411 ( 5549 PWs) bands (ev): -7.4345 -7.4336 -6.5869 -6.5723 -6.4886 -6.4867 -6.1031 -6.0837 -2.0763 -2.0738 1.2794 1.2976 1.5698 1.5736 1.8435 1.8543 1.9791 1.9826 2.0088 2.0102 2.7707 2.7710 2.8542 2.8673 3.0619 3.0732 3.1914 3.2132 3.2663 3.2764 3.3020 3.3047 4.7397 4.7431 4.8074 4.8426 4.8718 4.9050 4.9300 5.0086 5.0331 5.1139 5.1560 5.1632 5.2746 5.3059 5.3969 5.4924 5.5545 5.5564 5.7129 5.7218 5.7244 5.8159 5.8216 5.8585 5.9356 5.9452 6.4867 6.5163 6.7235 6.7930 8.1064 8.1132 9.1013 9.1044 9.7105 9.7251 10.4592 10.4720 11.5241 11.5247 12.0000 12.0019 k =-0.3042 0.4296 0.5264 ( 5557 PWs) bands (ev): -7.4356 -7.4347 -6.5700 -6.5545 -6.5023 -6.4998 -6.1029 -6.0831 -2.0756 -2.0731 1.2581 1.2689 1.5526 1.5577 1.8713 1.8829 1.9854 1.9901 1.9943 2.0018 2.7554 2.7568 2.8289 2.8420 3.0719 3.0793 3.1885 3.2095 3.2641 3.2788 3.2991 3.3023 4.7420 4.7502 4.8137 4.8513 4.8713 4.9070 4.9333 5.0137 5.0393 5.1192 5.1513 5.1590 5.2752 5.3044 5.3983 5.4940 5.5460 5.5482 5.6965 5.6977 5.7247 5.8219 5.8360 5.8699 5.9540 5.9684 6.4968 6.5248 6.7235 6.7903 8.1037 8.1102 9.1247 9.1272 9.7373 9.7477 10.5300 10.5445 11.5525 11.5536 12.0361 12.0405 k =-0.2958 0.4177 0.5118 ( 5541 PWs) bands (ev): -7.4387 -7.4379 -6.5533 -6.5364 -6.5131 -6.5095 -6.1028 -6.0826 -2.0764 -2.0739 1.2382 1.2420 1.5352 1.5415 1.8982 1.9101 1.9699 1.9809 2.0071 2.0143 2.7384 2.7413 2.8036 2.8167 3.0817 3.0852 3.1857 3.2058 3.2630 3.2817 3.2959 3.3000 4.7443 4.7566 4.8171 4.8616 4.8706 4.9090 4.9373 5.0160 5.0451 5.1217 5.1406 5.1648 5.2747 5.3008 5.4006 5.4936 5.5385 5.5399 5.6758 5.6764 5.7295 5.8339 5.8507 5.8848 5.9754 5.9952 6.5034 6.5295 6.7206 6.7842 8.1017 8.1079 9.1490 9.1508 9.7600 9.7658 10.5899 10.6056 11.5769 11.5784 12.0825 12.0925 k =-0.2873 0.4057 0.4972 ( 5527 PWs) bands (ev): -7.4441 -7.4433 -6.5386 -6.5220 -6.5170 -6.5141 -6.1027 -6.0822 -2.0788 -2.0764 1.2167 1.2200 1.5181 1.5255 1.9221 1.9308 1.9554 1.9685 2.0287 2.0360 2.7204 2.7252 2.7784 2.7917 3.0905 3.0907 3.1829 3.2021 3.2630 3.2842 3.2924 3.2986 4.7465 4.7624 4.8191 4.8692 4.8715 4.9115 4.9419 5.0168 5.0483 5.1165 5.1357 5.1733 5.2733 5.2954 5.4029 5.4900 5.5319 5.5331 5.6567 5.6571 5.7369 5.8495 5.8635 5.9042 5.9997 6.0253 6.5066 6.5301 6.7149 6.7749 8.1005 8.1064 9.1740 9.1751 9.7792 9.7800 10.6371 10.6538 11.5966 11.5987 12.1409 12.1557 k =-0.2789 0.3938 0.4826 ( 5529 PWs) bands (ev): -7.4517 -7.4510 -6.5315 -6.5264 -6.5077 -6.4989 -6.1027 -6.0819 -2.0828 -2.0805 1.1932 1.2035 1.5016 1.5102 1.9243 1.9361 1.9627 1.9644 2.0568 2.0633 2.7018 2.7089 2.7535 2.7670 3.0951 3.0986 3.1802 3.1984 3.2641 3.2843 3.2887 3.2997 4.7484 4.7677 4.8206 4.8668 4.8800 4.9147 4.9469 5.0169 5.0491 5.1048 5.1357 5.1834 5.2712 5.2885 5.4044 5.4828 5.5240 5.5297 5.6386 5.6423 5.7467 5.8675 5.8745 5.9275 6.0266 6.0582 6.5059 6.5263 6.7067 6.7626 8.1001 8.1058 9.1996 9.1999 9.7911 9.7953 10.6704 10.6877 11.6112 11.6138 12.2106 12.2293 k =-0.2704 0.3819 0.4679 ( 5523 PWs) bands (ev): -7.4616 -7.4610 -6.5302 -6.5283 -6.4924 -6.4801 -6.1027 -6.0816 -2.0885 -2.0862 1.1716 1.1887 1.4861 1.4959 1.9056 1.9288 1.9756 1.9832 2.0899 2.0954 2.6830 2.6926 2.7291 2.7430 3.0989 3.1050 3.1775 3.1947 3.2660 3.2816 3.2849 3.3036 4.7501 4.7727 4.8219 4.8636 4.8873 4.9186 4.9521 5.0166 5.0482 5.0917 5.1359 5.1938 5.2687 5.2803 5.4043 5.4731 5.5159 5.5268 5.6233 5.6324 5.7594 5.8847 5.8870 5.9530 6.0561 6.0938 6.5016 6.5183 6.6963 6.7479 8.1008 8.1063 9.2251 9.2258 9.7997 9.8090 10.6890 10.7066 11.6199 11.6230 12.2899 12.3116 k =-0.2620 0.3699 0.4533 ( 5525 PWs) bands (ev): -7.4738 -7.4732 -6.5279 -6.5273 -6.4747 -6.4612 -6.1027 -6.0815 -2.0956 -2.0935 1.1519 1.1757 1.4716 1.4827 1.8854 1.9140 1.9939 2.0019 2.1267 2.1312 2.6642 2.6765 2.7056 2.7199 3.1019 3.1099 3.1748 3.1910 3.2678 3.2773 3.2820 3.3090 4.7514 4.7771 4.8234 4.8596 4.8932 4.9231 4.9571 5.0162 5.0465 5.0792 5.1350 5.2036 5.2662 5.2711 5.4023 5.4621 5.5067 5.5222 5.6113 5.6275 5.7750 5.8950 5.9071 5.9791 6.0882 6.1318 6.4936 6.5059 6.6842 6.7311 8.1024 8.1077 9.2506 9.2524 9.8068 9.8210 10.6928 10.7104 11.6224 11.6261 12.3765 12.4005 k =-0.2535 0.3580 0.4387 ( 5535 PWs) bands (ev): -7.4880 -7.4874 -6.5234 -6.5232 -6.4564 -6.4421 -6.1028 -6.0815 -2.1043 -2.1023 1.1341 1.1646 1.4583 1.4707 1.8647 1.8976 2.0125 2.0204 2.1659 2.1697 2.6456 2.6610 2.6831 2.6979 3.1042 3.1135 3.1722 3.1873 3.2669 3.2720 3.2822 3.3150 4.7521 4.7806 4.8248 4.8553 4.8981 4.9278 4.9613 5.0160 5.0446 5.0679 5.1330 5.2117 5.2612 5.2637 5.3984 5.4505 5.4961 5.5147 5.6028 5.6273 5.7938 5.9063 5.9270 6.0043 6.1228 6.1719 6.4822 6.4895 6.6711 6.7132 8.1049 8.1100 9.2761 9.2792 9.8129 9.8319 10.6818 10.6996 11.6183 11.6225 12.4672 12.4934 k =-0.2451 0.3461 0.4241 ( 5527 PWs) bands (ev): -7.5040 -7.5035 -6.5165 -6.5163 -6.4379 -6.4231 -6.1030 -6.0816 -2.1145 -2.1126 1.1184 1.1554 1.4464 1.4602 1.8438 1.8804 2.0308 2.0388 2.2067 2.2102 2.6275 2.6460 2.6621 2.6775 3.1059 3.1157 3.1696 3.1837 3.2628 3.2659 3.2861 3.3211 4.7520 4.7828 4.8264 4.8514 4.9021 4.9322 4.9641 5.0164 5.0431 5.0589 5.1300 5.2175 5.2514 5.2615 5.3929 5.4388 5.4844 5.5048 5.5970 5.6303 5.8157 5.9191 5.9459 6.0273 6.1599 6.2140 6.4679 6.4694 6.6578 6.6952 8.1080 8.1129 9.3017 9.3062 9.8188 9.8422 10.6571 10.6748 11.6073 11.6121 12.5574 12.5869 k =-0.2366 0.3341 0.4094 ( 5513 PWs) bands (ev): -7.5218 -7.5213 -6.5072 -6.5067 -6.4192 -6.4041 -6.1032 -6.0818 -2.1260 -2.1243 1.1048 1.1482 1.4359 1.4511 1.8228 1.8627 2.0487 2.0570 2.2486 2.2519 2.6100 2.6315 2.6431 2.6589 3.1071 3.1170 3.1672 3.1802 3.2569 3.2592 3.2916 3.3272 4.7510 4.7832 4.8283 4.8485 4.9052 4.9359 4.9648 5.0179 5.0420 5.0526 5.1263 5.2197 5.2429 5.2597 5.3862 5.4270 5.4719 5.4932 5.5926 5.6347 5.8405 5.9340 5.9629 6.0468 6.1992 6.2579 6.4459 6.4509 6.6453 6.6784 8.1115 8.1163 9.3270 9.3333 9.8250 9.8525 10.6196 10.6371 11.5895 11.5947 12.6211 12.6233 k =-0.2282 0.3222 0.3948 ( 5521 PWs) bands (ev): -7.5410 -7.5406 -6.4956 -6.4949 -6.4006 -6.3852 -6.1035 -6.0822 -2.1388 -2.1372 1.0932 1.1430 1.4269 1.4436 1.8018 1.8447 2.0657 2.0746 2.2910 2.2946 2.5932 2.6176 2.6265 2.6426 3.1079 3.1175 3.1648 3.1768 3.2500 3.2518 3.2977 3.3330 4.7489 4.7813 4.8303 4.8473 4.9075 4.9382 4.9632 5.0208 5.0415 5.0492 5.1225 5.2158 5.2383 5.2583 5.3786 5.4150 5.4591 5.4810 5.5885 5.6389 5.8679 5.9513 5.9768 6.0611 6.2403 6.3031 6.4197 6.4321 6.6347 6.6643 8.1149 8.1196 9.3521 9.3604 9.8317 9.8631 10.5709 10.5880 11.5651 11.5707 12.5785 12.5868 k =-0.2197 0.3103 0.3802 ( 5525 PWs) bands (ev): -7.5613 -7.5609 -6.4819 -6.4811 -6.3820 -6.3665 -6.1038 -6.0826 -2.1528 -2.1513 1.0836 1.1399 1.4194 1.4378 1.7809 1.8265 2.0814 2.0912 2.3337 2.3377 2.5771 2.6041 2.6130 2.6292 3.1084 3.1174 3.1624 3.1734 3.2424 3.2438 3.3041 3.3385 4.7456 4.7770 4.8325 4.8479 4.9090 4.9390 4.9596 5.0252 5.0417 5.0482 5.1188 5.2068 5.2367 5.2575 5.3704 5.4028 5.4464 5.4690 5.5841 5.6418 5.8972 5.9713 5.9867 6.0689 6.2821 6.3496 6.3915 6.4128 6.6272 6.6547 8.1179 8.1224 9.3767 9.3874 9.8394 9.8744 10.5126 10.5289 11.5345 11.5404 12.5229 12.5280 k =-0.2113 0.2983 0.3656 ( 5527 PWs) bands (ev): -7.5826 -7.5822 -6.4664 -6.4656 -6.3636 -6.3480 -6.1041 -6.0831 -2.1679 -2.1665 1.0762 1.1387 1.4135 1.4337 1.7602 1.8084 2.0952 2.1059 2.3762 2.3809 2.5617 2.5909 2.6032 2.6194 3.1086 3.1169 3.1601 3.1701 3.2342 3.2354 3.3103 3.3434 4.7413 4.7709 4.8349 4.8501 4.9098 4.9382 4.9548 5.0304 5.0431 5.0484 5.1160 5.1960 5.2354 5.2573 5.3617 5.3901 5.4344 5.4578 5.5792 5.6427 5.9276 5.9922 5.9940 6.0690 6.3210 6.3618 6.3968 6.3973 6.6242 6.6510 8.1199 8.1243 9.4008 9.4142 9.8479 9.8864 10.4465 10.4614 11.4983 11.5042 12.4588 12.4608 k =-0.2028 0.2864 0.3510 ( 5523 PWs) bands (ev): -7.6045 -7.6042 -6.4494 -6.4485 -6.3454 -6.3298 -6.1045 -6.0837 -2.1838 -2.1826 1.0708 1.1396 1.4092 1.4313 1.7399 1.7904 2.1065 2.1184 2.4179 2.4236 2.5469 2.5782 2.5977 2.6140 3.1087 3.1162 3.1579 3.1670 3.2257 3.2265 3.3163 3.3479 4.7360 4.7634 4.8373 4.8536 4.9098 4.9361 4.9495 5.0349 5.0469 5.0487 5.1145 5.1848 5.2330 5.2577 5.3525 5.3769 5.4230 5.4477 5.5737 5.6413 5.9559 5.9950 6.0190 6.0608 6.3318 6.3387 6.4027 6.4456 6.6267 6.6545 8.1204 8.1246 9.4241 9.4407 9.8573 9.8992 10.3745 10.3870 11.4570 11.4629 12.3880 12.3886 k =-0.1944 0.2745 0.3363 ( 5527 PWs) bands (ev): -7.6269 -7.6266 -6.4312 -6.4302 -6.3275 -6.3119 -6.1049 -6.0844 -2.2006 -2.1995 1.0675 1.1424 1.4064 1.4306 1.7202 1.7727 2.1147 2.1278 2.4581 2.4650 2.5325 2.5658 2.5977 2.6142 3.1087 3.1153 3.1558 3.1639 3.2169 3.2174 3.3219 3.3518 4.7298 4.7552 4.8396 4.8577 4.9090 4.9328 4.9445 5.0374 5.0482 5.0535 5.1144 5.1738 5.2291 5.2586 5.3430 5.3628 5.4127 5.4388 5.5677 5.6376 5.9681 6.0081 6.0432 6.0475 6.3022 6.3260 6.4399 6.4946 6.6353 6.6654 8.1189 8.1228 9.4464 9.4668 9.8670 9.9127 10.2987 10.3073 11.4114 11.4170 12.3118 12.3144 k =-0.1859 0.2625 0.3217 ( 5527 PWs) bands (ev): -7.6495 -7.6493 -6.4119 -6.4109 -6.3099 -6.2944 -6.1054 -6.0852 -2.2180 -2.2171 1.0661 1.1472 1.4052 1.4317 1.7012 1.7556 2.1196 2.1337 2.4941 2.5035 2.5197 2.5534 2.6044 2.6212 3.1086 3.1144 3.1537 3.1610 3.2079 3.2082 3.3271 3.3552 4.7230 4.7468 4.8417 4.8622 4.9072 4.9288 4.9400 5.0390 5.0467 5.0613 5.1156 5.1636 5.2236 5.2595 5.3334 5.3482 5.4038 5.4312 5.5613 5.6317 5.9587 6.0209 6.0363 6.0745 6.2743 6.3056 6.4863 6.5438 6.6502 6.6832 8.1148 8.1185 9.4672 9.4923 9.8764 9.9267 10.2215 10.2239 11.3620 11.3671 12.2339 12.2384 k =-0.1775 0.2506 0.3071 ( 5543 PWs) bands (ev): -7.6721 -7.6719 -6.3919 -6.3909 -6.2927 -6.2774 -6.1059 -6.0861 -2.2360 -2.2351 1.0667 1.1537 1.4056 1.4345 1.6831 1.7392 2.1208 2.1361 2.5002 2.5325 2.5345 2.5430 2.6202 2.6361 3.1085 3.1135 3.1517 3.1581 3.1990 3.1991 3.3317 3.3579 4.7157 4.7383 4.8435 4.8668 4.9045 4.9239 4.9364 5.0403 5.0444 5.0687 5.1174 5.1548 5.2165 5.2599 5.3243 5.3328 5.3963 5.4247 5.5548 5.6239 5.9402 5.9917 6.0659 6.1025 6.2501 6.2852 6.5353 6.5929 6.6714 6.7071 8.1076 8.1110 9.4859 9.5169 9.8837 9.9408 10.1387 10.1466 11.3093 11.3139 12.1563 12.1624 k =-0.1690 0.2387 0.2925 ( 5535 PWs) bands (ev): -7.6946 -7.6944 -6.3712 -6.3703 -6.2759 -6.2608 -6.1064 -6.0870 -2.2543 -2.2536 1.0690 1.1618 1.4075 1.4391 1.6663 1.7238 2.1187 2.1350 2.4862 2.5269 2.5595 2.5632 2.6464 2.6596 3.1084 3.1128 3.1498 3.1555 3.1903 3.1906 3.3359 3.3602 4.7083 4.7303 4.8450 4.8714 4.9008 4.9187 4.9337 5.0417 5.0419 5.0746 5.1192 5.1478 5.2079 5.2586 5.3168 5.3171 5.3906 5.4192 5.5485 5.6146 5.9166 5.9581 6.0897 6.1274 6.2343 6.2691 6.5855 6.6415 6.6986 6.7360 8.0968 8.1000 9.5011 9.5400 9.8849 9.9526 10.0555 10.0799 11.2539 11.2577 12.0806 12.0880 k =-0.1606 0.2267 0.2778 ( 5539 PWs) bands (ev): -7.7168 -7.7166 -6.3503 -6.3494 -6.2596 -6.2447 -6.1069 -6.0879 -2.2728 -2.2722 1.0731 1.1714 1.4109 1.4455 1.6510 1.7095 2.1135 2.1308 2.4708 2.5132 2.5821 2.5824 2.6805 2.6904 3.1084 3.1123 3.1481 3.1530 3.1824 3.1830 3.3395 3.3621 4.7010 4.7228 4.8460 4.8757 4.8961 4.9130 4.9319 5.0396 5.0431 5.0778 5.1203 5.1431 5.1980 5.2539 5.3011 5.3121 5.3869 5.4147 5.5426 5.6042 5.8895 5.9216 6.0997 6.1432 6.2344 6.2637 6.6363 6.6888 6.7312 6.7687 8.0823 8.0852 9.5105 9.5601 9.8725 9.9411 9.9974 10.0322 11.1960 11.1991 12.0084 12.0170 k =-0.1521 0.2148 0.2632 ( 5545 PWs) bands (ev): -7.7385 -7.7383 -6.3292 -6.3284 -6.2438 -6.2292 -6.1074 -6.0889 -2.2915 -2.2910 1.0787 1.1821 1.4157 1.4534 1.6376 1.6966 2.1059 2.1240 2.4546 2.4986 2.5983 2.6007 2.7185 2.7258 3.1085 3.1119 3.1464 3.1507 3.1756 3.1765 3.3427 3.3634 4.6939 4.7161 4.8466 4.8795 4.8904 4.9072 4.9309 5.0376 5.0445 5.0778 5.1205 5.1402 5.1875 5.2451 5.2852 5.3107 5.3857 5.4109 5.5372 5.5928 5.8606 5.8835 6.0926 6.1437 6.2536 6.2753 6.6871 6.7341 6.7692 6.8042 8.0636 8.0662 9.5103 9.5744 9.8428 9.8755 9.9988 10.0116 11.1360 11.1383 11.9410 11.9505 k =-0.1437 0.2029 0.2486 ( 5541 PWs) bands (ev): -7.7596 -7.7595 -6.3081 -6.3074 -6.2285 -6.2144 -6.1079 -6.0900 -2.3101 -2.3097 1.0857 1.1936 1.4220 1.4630 1.6264 1.6854 2.0962 2.1152 2.4374 2.4828 2.6120 2.6164 2.7578 2.7633 3.1087 3.1119 3.1448 3.1488 3.1706 3.1718 3.3455 3.3645 4.6873 4.7101 4.8470 4.8825 4.8838 4.9015 4.9307 5.0362 5.0460 5.0752 5.1194 5.1370 5.1773 5.2331 5.2699 5.3113 5.3871 5.4079 5.5325 5.5809 5.8311 5.8450 6.0749 6.1313 6.2853 6.3016 6.7379 6.7773 6.8116 6.8417 8.0407 8.0429 9.4950 9.5759 9.8091 9.8107 10.0106 10.0120 11.0741 11.0757 11.8794 11.8896 k =-0.1352 0.1909 0.2340 ( 5551 PWs) bands (ev): -7.7800 -7.7799 -6.2872 -6.2867 -6.2139 -6.2001 -6.1084 -6.0910 -2.3285 -2.3281 1.0938 1.2055 1.4298 1.4740 1.6178 1.6762 2.0852 2.1050 2.4192 2.4656 2.6234 2.6289 2.7970 2.8014 3.1088 3.1120 3.1433 3.1472 3.1678 3.1695 3.3479 3.3652 4.6814 4.7052 4.8471 4.8765 4.8834 4.8973 4.9309 5.0354 5.0476 5.0709 5.1170 5.1307 5.1690 5.2189 5.2556 5.3123 5.3914 5.4056 5.5285 5.5685 5.8021 5.8070 6.0527 6.1126 6.3235 6.3361 6.7882 6.8193 6.8563 6.8806 8.0134 8.0153 9.4608 9.5527 9.7697 9.7863 10.0184 10.0264 11.0108 11.0117 11.8245 11.8350 k =-0.1268 0.1790 0.2193 ( 5559 PWs) bands (ev): -7.7996 -7.7995 -6.2668 -6.2664 -6.1998 -6.1866 -6.1088 -6.0920 -2.3465 -2.3463 1.1028 1.2171 1.4391 1.4864 1.6122 1.6693 2.0731 2.0937 2.3997 2.4469 2.6320 2.6381 2.8352 2.8391 3.1092 3.1124 3.1419 3.1459 3.1680 3.1701 3.3500 3.3656 4.6763 4.7012 4.8471 4.8686 4.8805 4.8962 4.9315 5.0352 5.0491 5.0657 5.1133 5.1201 5.1622 5.2035 5.2432 5.3125 5.3986 5.4040 5.5253 5.5558 5.7704 5.7744 6.0290 6.0912 6.3653 6.3750 6.8378 6.8610 6.9018 6.9202 7.9820 7.9835 9.4096 9.5009 9.7579 9.7781 10.0298 10.0407 10.9465 10.9468 11.7767 11.7873 k =-0.1183 0.1671 0.2047 ( 5555 PWs) bands (ev): -7.8183 -7.8182 -6.2469 -6.2468 -6.1865 -6.1738 -6.1092 -6.0931 -2.3641 -2.3640 1.1126 1.2279 1.4502 1.5000 1.6099 1.6650 2.0606 2.0819 2.3790 2.4265 2.6371 2.6432 2.8718 2.8757 3.1096 3.1129 3.1407 3.1447 3.1719 3.1743 3.3519 3.3660 4.6723 4.6985 4.8471 4.8604 4.8747 4.8974 4.9324 5.0354 5.0506 5.0602 5.1065 5.1086 5.1547 5.1876 5.2332 5.3115 5.4033 5.4083 5.5226 5.5430 5.7363 5.7490 6.0051 6.0689 6.4093 6.4166 6.8864 6.9027 6.9470 6.9600 7.9465 7.9476 9.3475 9.4323 9.7641 9.7806 10.0426 10.0543 10.8816 10.8817 11.7362 11.7466 k =-0.1099 0.1551 0.1901 ( 5545 PWs) bands (ev): -7.8360 -7.8360 -6.2279 -6.2278 -6.1738 -6.1617 -6.1095 -6.0940 -2.3811 -2.3810 1.1227 1.2372 1.4634 1.5146 1.6112 1.6636 2.0478 2.0699 2.3568 2.4043 2.6384 2.6442 2.9064 2.9105 3.1100 3.1134 3.1396 3.1434 3.1798 3.1824 3.3536 3.3663 4.6695 4.6969 4.8469 4.8522 4.8679 4.8989 4.9334 5.0361 5.0519 5.0543 5.0920 5.1029 5.1450 5.1715 5.2254 5.3093 5.4036 5.4198 5.5203 5.5302 5.7054 5.7265 5.9815 6.0463 6.4551 6.4604 6.9336 6.9441 6.9910 6.9995 7.9071 7.9079 9.2803 9.3579 9.7777 9.7893 10.0557 10.0672 10.8167 10.8171 11.7029 11.7129 k =-0.1014 0.1432 0.1755 ( 5545 PWs) bands (ev): -7.8527 -7.8526 -6.2099 -6.2096 -6.1618 -6.1504 -6.1098 -6.0949 -2.3974 -2.3974 1.1329 1.2445 1.4787 1.5300 1.6162 1.6655 2.0352 2.0579 2.3331 2.3802 2.6358 2.6409 2.9385 2.9431 3.1105 3.1139 3.1386 3.1421 3.1916 3.1942 3.3552 3.3665 4.6679 4.6965 4.8427 4.8480 4.8607 4.9002 4.9344 5.0370 5.0472 5.0530 5.0784 5.0964 5.1330 5.1555 5.2190 5.3055 5.4050 5.4320 5.5177 5.5184 5.6781 5.7071 5.9585 6.0236 6.5024 6.5059 6.9792 6.9850 7.0336 7.0383 7.8643 7.8646 9.2119 9.2829 9.7938 9.8010 10.0685 10.0790 10.7529 10.7534 11.6764 11.6858 k =-0.0930 0.1313 0.1609 ( 5549 PWs) bands (ev): -7.8683 -7.8682 -6.1931 -6.1924 -6.1506 -6.1399 -6.1100 -6.0957 -2.4129 -2.4129 1.1430 1.2494 1.4964 1.5458 1.6247 1.6709 2.0228 2.0461 2.3080 2.3541 2.6294 2.6335 2.9681 2.9732 3.1110 3.1142 3.1379 3.1409 3.2068 3.2094 3.3568 3.3667 4.6678 4.6974 4.8344 4.8482 4.8533 4.9010 4.9354 5.0378 5.0379 5.0528 5.0683 5.0894 5.1199 5.1400 5.2127 5.3000 5.4076 5.4440 5.5066 5.5165 5.6548 5.6912 5.9363 6.0012 6.5510 6.5529 7.0228 7.0248 7.0742 7.0759 7.8181 7.8183 9.1449 9.2098 9.8102 9.8137 10.0808 10.0898 10.6908 10.6915 11.6564 11.6650 k =-0.0845 0.1193 0.1462 ( 5551 PWs) bands (ev): -7.8826 -7.8826 -6.1776 -6.1764 -6.1401 -6.1302 -6.1100 -6.0963 -2.4275 -2.4274 1.1527 1.2521 1.5162 1.5619 1.6367 1.6799 2.0110 2.0347 2.2814 2.3262 2.6197 2.6228 2.9950 3.0005 3.1116 3.1146 3.1374 3.1400 3.2248 3.2273 3.3583 3.3670 4.6691 4.6994 4.8260 4.8459 4.8487 4.9011 4.9364 5.0255 5.0385 5.0506 5.0634 5.0821 5.1069 5.1253 5.2056 5.2927 5.4114 5.4535 5.4991 5.5147 5.6355 5.6788 5.9151 5.9791 6.6008 6.6013 7.0633 7.0641 7.1121 7.1127 7.7689 7.7695 9.0807 9.1400 9.8258 9.8263 10.0924 10.0997 10.6311 10.6319 11.6420 11.6497 k =-0.0761 0.1074 0.1316 ( 5551 PWs) bands (ev): -7.8957 -7.8957 -6.1636 -6.1619 -6.1303 -6.1213 -6.1098 -6.0967 -2.4410 -2.4409 1.1619 1.2526 1.5376 1.5781 1.6521 1.6925 1.9999 2.0237 2.2536 2.2964 2.6073 2.6093 3.0190 3.0249 3.1120 3.1148 3.1371 3.1393 3.2446 3.2469 3.3598 3.3673 4.6721 4.7026 4.8179 4.8386 4.8496 4.9007 4.9375 5.0115 5.0384 5.0462 5.0622 5.0750 5.0955 5.1117 5.1975 5.2834 5.4162 5.4573 5.4987 5.5129 5.6200 5.6695 5.8952 5.9575 6.6510 6.6517 7.0999 7.1027 7.1463 7.1486 7.7174 7.7184 9.0205 9.0744 9.8381 9.8398 10.1032 10.1086 10.5745 10.5754 11.6326 11.6393 k =-0.0676 0.0955 0.1170 ( 5545 PWs) bands (ev): -7.9076 -7.9076 -6.1513 -6.1491 -6.1213 -6.1131 -6.1092 -6.0967 -2.4533 -2.4532 1.1703 1.2514 1.5599 1.5941 1.6708 1.7085 1.9895 2.0132 2.2246 2.2650 2.5930 2.5939 3.0403 3.0463 3.1125 3.1150 3.1371 3.1388 3.2653 3.2672 3.3613 3.3677 4.6768 4.7069 4.8101 4.8313 4.8507 4.8997 4.9384 4.9968 5.0372 5.0407 5.0622 5.0685 5.0868 5.0996 5.1884 5.2721 5.4218 5.4552 5.5057 5.5112 5.6081 5.6630 5.8766 5.9365 6.7018 6.7035 7.1342 7.1382 7.1782 7.1816 7.6640 7.6655 8.9651 9.0138 9.8488 9.8520 10.1131 10.1167 10.5216 10.5226 11.6274 11.6331 k =-0.0592 0.0835 0.1024 ( 5547 PWs) bands (ev): -7.9182 -7.9181 -6.1410 -6.1383 -6.1132 -6.1082 -6.1057 -6.0962 -2.4644 -2.4643 1.1780 1.2488 1.5822 1.6098 1.6927 1.7276 1.9800 2.0031 2.1948 2.2322 2.5775 2.5776 3.0589 3.0647 3.1129 3.1150 3.1374 3.1387 3.2857 3.2872 3.3629 3.3682 4.6830 4.7121 4.8026 4.8239 4.8520 4.8982 4.9394 4.9821 5.0340 5.0342 5.0624 5.0631 5.0813 5.0896 5.1789 5.2591 5.4277 5.4512 5.5097 5.5156 5.5994 5.6586 5.8597 5.9164 6.7535 6.7561 7.1657 7.1704 7.2074 7.2114 7.6092 7.6111 8.9153 8.9585 9.8580 9.8623 10.1222 10.1242 10.4730 10.4741 11.6255 11.6303 k =-0.0507 0.0716 0.0877 ( 5543 PWs) bands (ev): -7.9274 -7.9273 -6.1327 -6.1299 -6.1063 -6.1063 -6.0991 -6.0948 -2.4742 -2.4741 1.1850 1.2452 1.6034 1.6250 1.7179 1.7493 1.9714 1.9933 2.1646 2.1984 2.5611 2.5618 3.0748 3.0802 3.1133 3.1151 3.1381 3.1390 3.3050 3.3060 3.3646 3.3689 4.6908 4.7180 4.7955 4.8164 4.8535 4.8963 4.9405 4.9681 5.0275 5.0286 5.0590 5.0625 5.0785 5.0821 5.1696 5.2448 5.4335 5.4479 5.5087 5.5250 5.5942 5.6556 5.8448 5.8972 6.8060 6.8092 7.1941 7.1990 7.2336 7.2378 7.5536 7.5559 8.8716 8.9092 9.8657 9.8705 10.1306 10.1311 10.4291 10.4304 11.6261 11.6299 k =-0.0423 0.0597 0.0731 ( 5551 PWs) bands (ev): -7.9352 -7.9352 -6.1266 -6.1242 -6.1034 -6.1010 -6.0932 -6.0919 -2.4826 -2.4825 1.1913 1.2410 1.6226 1.6391 1.7460 1.7731 1.9636 1.9835 2.1345 2.1641 2.5453 2.5466 3.0878 3.0925 3.1137 3.1150 3.1392 3.1398 3.3223 3.3228 3.3665 3.3697 4.7000 4.7245 4.7888 4.8085 4.8554 4.8939 4.9411 4.9552 5.0211 5.0218 5.0558 5.0623 5.0773 5.0773 5.1615 5.2299 5.4388 5.4458 5.5085 5.5318 5.5931 5.6531 5.8322 5.8792 6.8588 6.8625 7.2189 7.2236 7.2564 7.2603 7.4979 7.5005 8.8344 8.8663 9.8720 9.8768 10.1377 10.1382 10.3905 10.3919 11.6284 11.6313 k =-0.0338 0.0477 0.0585 ( 5559 PWs) bands (ev): -7.9416 -7.9416 -6.1224 -6.1209 -6.0998 -6.0975 -6.0881 -6.0879 -2.4896 -2.4895 1.1971 1.2364 1.6394 1.6517 1.7765 1.7987 1.9562 1.9734 2.1056 2.1301 2.5312 2.5327 3.0980 3.1018 3.1140 3.1149 3.1407 3.1412 3.3367 3.3368 3.3688 3.3708 4.7104 4.7314 4.7824 4.8002 4.8575 4.8910 4.9412 4.9443 5.0148 5.0156 5.0534 5.0617 5.0747 5.0768 5.1554 5.2149 5.4431 5.4450 5.5093 5.5348 5.5963 5.6506 5.8224 5.8627 6.9113 6.9154 7.2398 7.2440 7.2753 7.2787 7.4432 7.4460 8.8041 8.8300 9.8770 9.8814 10.1439 10.1451 10.3575 10.3590 11.6315 11.6337 k =-0.0254 0.0358 0.0439 ( 5551 PWs) bands (ev): -7.9467 -7.9467 -6.1199 -6.1191 -6.0964 -6.0949 -6.0839 -6.0838 -2.4950 -2.4950 1.2025 1.2317 1.6532 1.6620 1.8086 1.8253 1.9486 1.9619 2.0794 2.0980 2.5194 2.5208 3.1055 3.1082 3.1143 3.1148 3.1426 3.1430 3.3471 3.3477 3.3716 3.3726 4.7219 4.7383 4.7763 4.7911 4.8601 4.8872 4.9364 4.9404 5.0089 5.0111 5.0519 5.0605 5.0736 5.0764 5.1525 5.2004 5.4451 5.4462 5.5114 5.5344 5.6030 5.6472 5.8159 5.8480 6.9623 6.9665 7.2564 7.2600 7.2895 7.2921 7.3914 7.3941 8.7810 8.8006 9.8809 9.8845 10.1496 10.1512 10.3307 10.3321 11.6348 11.6363 k =-0.0169 0.0239 0.0292 ( 5543 PWs) bands (ev): -7.9503 -7.9503 -6.1184 -6.1182 -6.0939 -6.0930 -6.0807 -6.0806 -2.4990 -2.4989 1.2075 1.2269 1.6638 1.6695 1.8409 1.8523 1.9391 1.9480 2.0581 2.0702 2.5106 2.5117 3.1105 3.1118 3.1147 3.1147 3.1445 3.1449 3.3538 3.3546 3.3747 3.3750 4.7340 4.7452 4.7703 4.7812 4.8633 4.8825 4.9322 4.9384 5.0049 5.0075 5.0516 5.0587 5.0733 5.0756 5.1532 5.1869 5.4459 5.4479 5.5147 5.5317 5.6115 5.6427 5.8129 5.8353 7.0095 7.0132 7.2683 7.2713 7.2966 7.2979 7.3481 7.3498 8.7653 8.7785 9.8838 9.8863 10.1547 10.1561 10.3107 10.3119 11.6377 11.6386 k =-0.0085 0.0119 0.0146 ( 5541 PWs) bands (ev): -7.9524 -7.9524 -6.1177 -6.1177 -6.0922 -6.0919 -6.0786 -6.0786 -2.5013 -2.5013 1.2124 1.2220 1.6708 1.6736 1.8714 1.8782 1.9256 1.9308 2.0446 2.0502 2.5052 2.5059 3.1134 3.1135 3.1144 3.1151 3.1460 3.1462 3.3572 3.3578 3.3773 3.3773 4.7464 4.7519 4.7644 4.7703 4.8672 4.8771 4.9313 4.9356 5.0032 5.0049 5.0524 5.0564 5.0735 5.0748 5.1575 5.1750 5.4470 5.4483 5.5187 5.5278 5.6205 5.6366 5.8136 5.8251 7.0469 7.0494 7.2744 7.2772 7.2886 7.2890 7.3272 7.3274 8.7572 8.7638 9.8857 9.8870 10.1584 10.1592 10.2983 10.2990 11.6396 11.6401 k = 0.0000 0.0000 0.0000 ( 5541 PWs) bands (ev): -7.9532 -7.9532 -6.1175 -6.1175 -6.0916 -6.0916 -6.0779 -6.0779 -2.5021 -2.5021 1.2172 1.2172 1.6741 1.6741 1.8926 1.8926 1.9149 1.9149 2.0414 2.0414 2.5036 2.5036 3.1141 3.1141 3.1149 3.1149 3.1466 3.1466 3.3585 3.3585 3.3783 3.3783 4.7581 4.7581 4.7588 4.7588 4.8719 4.8719 4.9328 4.9328 5.0033 5.0033 5.0541 5.0541 5.0741 5.0741 5.1650 5.1650 5.4479 5.4479 5.5233 5.5233 5.6291 5.6291 5.8178 5.8178 7.0633 7.0633 7.2734 7.2734 7.2831 7.2831 7.3245 7.3245 8.7567 8.7567 9.8868 9.8868 10.1601 10.1601 10.2944 10.2944 11.6405 11.6405 k = 0.0000 0.0000 0.0000 ( 5541 PWs) bands (ev): -7.9532 -7.9532 -6.1175 -6.1175 -6.0916 -6.0916 -6.0779 -6.0779 -2.5021 -2.5021 1.2172 1.2172 1.6741 1.6741 1.8926 1.8926 1.9149 1.9149 2.0414 2.0414 2.5036 2.5036 3.1141 3.1141 3.1149 3.1149 3.1466 3.1466 3.3585 3.3585 3.3783 3.3783 4.7581 4.7581 4.7588 4.7588 4.8719 4.8719 4.9328 4.9328 5.0033 5.0033 5.0541 5.0541 5.0741 5.0741 5.1650 5.1650 5.4479 5.4479 5.5233 5.5233 5.6291 5.6291 5.8178 5.8178 7.0633 7.0633 7.2734 7.2734 7.2831 7.2831 7.3245 7.3245 8.7567 8.7567 9.8868 9.8868 10.1601 10.1601 10.2944 10.2944 11.6405 11.6405 k = 0.0167 0.0118 0.0000 ( 5541 PWs) bands (ev): -7.9524 -7.9524 -6.1187 -6.1187 -6.0921 -6.0921 -6.0780 -6.0780 -2.5012 -2.5012 1.2175 1.2175 1.6758 1.6758 1.8932 1.8932 1.9118 1.9118 2.0419 2.0419 2.5075 2.5075 3.1127 3.1127 3.1151 3.1151 3.1463 3.1463 3.3585 3.3585 3.3783 3.3783 4.7418 4.7418 4.7752 4.7752 4.8721 4.8721 4.9332 4.9332 5.0042 5.0042 5.0543 5.0543 5.0742 5.0742 5.1651 5.1651 5.4470 5.4470 5.5243 5.5243 5.6294 5.6294 5.8175 5.8175 7.0485 7.0485 7.2708 7.2708 7.2890 7.2890 7.3321 7.3321 8.7569 8.7569 9.8850 9.8850 10.1572 10.1572 10.2951 10.2951 11.6233 11.6233 k = 0.0333 0.0236 0.0000 ( 5542 PWs) bands (ev): -7.9502 -7.9502 -6.1224 -6.1224 -6.0933 -6.0933 -6.0781 -6.0781 -2.4985 -2.4985 1.2184 1.2184 1.6810 1.6810 1.8945 1.8945 1.9029 1.9029 2.0433 2.0433 2.5187 2.5187 3.1087 3.1087 3.1153 3.1153 3.1455 3.1455 3.3584 3.3584 3.3782 3.3782 4.7254 4.7254 4.7918 4.7918 4.8726 4.8726 4.9342 4.9342 5.0071 5.0071 5.0547 5.0547 5.0747 5.0747 5.1653 5.1653 5.4441 5.4441 5.5272 5.5272 5.6305 5.6305 5.8167 5.8167 7.0125 7.0125 7.2628 7.2628 7.2904 7.2904 7.3629 7.3629 8.7576 8.7576 9.8794 9.8794 10.1487 10.1487 10.2974 10.2974 11.5828 11.5828 k = 0.0500 0.0354 0.0000 ( 5550 PWs) bands (ev): -7.9465 -7.9465 -6.1291 -6.1291 -6.0948 -6.0948 -6.0784 -6.0784 -2.4941 -2.4941 1.2199 1.2199 1.6894 1.6894 1.8863 1.8863 1.8992 1.8992 2.0457 2.0457 2.5365 2.5365 3.1016 3.1016 3.1156 3.1156 3.1447 3.1447 3.3583 3.3583 3.3781 3.3781 4.7095 4.7095 4.8080 4.8080 4.8734 4.8734 4.9358 4.9358 5.0118 5.0118 5.0554 5.0554 5.0756 5.0756 5.1657 5.1657 5.4393 5.4393 5.5320 5.5320 5.6325 5.6325 5.8155 5.8155 6.9669 6.9669 7.2497 7.2497 7.2816 7.2816 7.4107 7.4107 8.7587 8.7587 9.8699 9.8699 10.1344 10.1344 10.3012 10.3012 11.5329 11.5329 k = 0.0667 0.0472 0.0000 ( 5554 PWs) bands (ev): -7.9414 -7.9414 -6.1390 -6.1390 -6.0962 -6.0962 -6.0787 -6.0787 -2.4881 -2.4881 1.2222 1.2222 1.7010 1.7010 1.8672 1.8672 1.9032 1.9032 2.0491 2.0491 2.5599 2.5599 3.0913 3.0913 3.1160 3.1160 3.1441 3.1441 3.3582 3.3582 3.3779 3.3779 4.6942 4.6942 4.8236 4.8236 4.8747 4.8747 4.9376 4.9376 5.0181 5.0181 5.0564 5.0564 5.0774 5.0774 5.1664 5.1664 5.4323 5.4323 5.5388 5.5388 5.6356 5.6356 5.8137 5.8137 6.9179 6.9179 7.2317 7.2317 7.2665 7.2665 7.4654 7.4654 8.7603 8.7603 9.8563 9.8563 10.1142 10.1142 10.3064 10.3064 11.4804 11.4804 k = 0.0833 0.0590 0.0000 ( 5554 PWs) bands (ev): -7.9348 -7.9348 -6.1522 -6.1522 -6.0973 -6.0973 -6.0792 -6.0792 -2.4805 -2.4805 1.2255 1.2255 1.7154 1.7154 1.8443 1.8443 1.9088 1.9088 2.0535 2.0535 2.5877 2.5877 3.0775 3.0775 3.1166 3.1166 3.1440 3.1440 3.3581 3.3581 3.3777 3.3777 4.6793 4.6793 4.8382 4.8382 4.8765 4.8765 4.9397 4.9397 5.0255 5.0255 5.0578 5.0578 5.0811 5.0811 5.1671 5.1671 5.4231 5.4231 5.5475 5.5475 5.6400 5.6400 5.8116 5.8116 6.8683 6.8683 7.2090 7.2090 7.2467 7.2467 7.5227 7.5227 8.7622 8.7622 9.8383 9.8383 10.0882 10.0882 10.3129 10.3129 11.4287 11.4287 k = 0.1000 0.0708 0.0000 ( 5570 PWs) bands (ev): -7.9267 -7.9267 -6.1685 -6.1685 -6.0983 -6.0983 -6.0797 -6.0797 -2.4715 -2.4715 1.2300 1.2300 1.7323 1.7323 1.8190 1.8190 1.9156 1.9156 2.0587 2.0587 2.6190 2.6190 3.0604 3.0604 3.1172 3.1172 3.1443 3.1443 3.3580 3.3580 3.3774 3.3774 4.6649 4.6649 4.8514 4.8514 4.8792 4.8792 4.9416 4.9416 5.0324 5.0324 5.0596 5.0596 5.0879 5.0879 5.1681 5.1681 5.4115 5.4115 5.5579 5.5579 5.6459 5.6459 5.8092 5.8092 6.8195 6.8195 7.1820 7.1820 7.2227 7.2227 7.5806 7.5806 8.7645 8.7645 9.8158 9.8158 10.0562 10.0562 10.3208 10.3208 11.3797 11.3797 k = 0.1167 0.0826 0.0000 ( 5570 PWs) bands (ev): -7.9173 -7.9173 -6.1876 -6.1876 -6.0992 -6.0992 -6.0803 -6.0803 -2.4612 -2.4612 1.2358 1.2358 1.7508 1.7508 1.7925 1.7925 1.9238 1.9238 2.0649 2.0649 2.6528 2.6528 3.0401 3.0401 3.1180 3.1180 3.1449 3.1449 3.3578 3.3578 3.3771 3.3771 4.6510 4.6510 4.8626 4.8626 4.8833 4.8833 4.9434 4.9434 5.0374 5.0374 5.0618 5.0618 5.0992 5.0992 5.1693 5.1693 5.3979 5.3979 5.5701 5.5701 5.6533 5.6533 5.8066 5.8066 6.7721 6.7721 7.1509 7.1509 7.1948 7.1948 7.6378 7.6378 8.7671 8.7671 9.7885 9.7885 10.0184 10.0184 10.3298 10.3298 11.3350 11.3350 k = 0.1333 0.0944 0.0000 ( 5562 PWs) bands (ev): -7.9065 -7.9065 -6.2094 -6.2094 -6.1000 -6.1000 -6.0810 -6.0810 -2.4497 -2.4497 1.2432 1.2432 1.7584 1.7584 1.7777 1.7777 1.9333 1.9333 2.0718 2.0718 2.6885 2.6885 3.0169 3.0169 3.1189 3.1189 3.1459 3.1459 3.3577 3.3577 3.3768 3.3768 4.6376 4.6376 4.8709 4.8709 4.8900 4.8900 4.9450 4.9450 5.0397 5.0397 5.0646 5.0646 5.1148 5.1148 5.1710 5.1710 5.3826 5.3826 5.5840 5.5840 5.6623 5.6623 5.8040 5.8040 6.7265 6.7265 7.1164 7.1164 7.1636 7.1636 7.6935 7.6935 8.7700 8.7700 9.7565 9.7565 9.9750 9.9750 10.3401 10.3401 11.2957 11.2957 k = 0.1500 0.1062 0.0000 ( 5570 PWs) bands (ev): -7.8944 -7.8944 -6.2336 -6.2336 -6.1008 -6.1008 -6.0818 -6.0818 -2.4374 -2.4374 1.2523 1.2523 1.7327 1.7327 1.7972 1.7972 1.9443 1.9443 2.0794 2.0794 2.7252 2.7252 2.9908 2.9908 3.1200 3.1200 3.1471 3.1471 3.3575 3.3575 3.3765 3.3765 4.6244 4.6244 4.8763 4.8763 4.8990 4.8990 4.9463 4.9463 5.0399 5.0399 5.0679 5.0679 5.1334 5.1334 5.1734 5.1734 5.3662 5.3662 5.5995 5.5995 5.6725 5.6725 5.8015 5.8015 6.6828 6.6828 7.0786 7.0786 7.1294 7.1294 7.7469 7.7469 8.7730 8.7730 9.7198 9.7198 9.9265 9.9265 10.3516 10.3516 11.2626 11.2626 k = 0.1667 0.1180 0.0000 ( 5562 PWs) bands (ev): -7.8809 -7.8809 -6.2600 -6.2600 -6.1015 -6.1015 -6.0826 -6.0826 -2.4243 -2.4243 1.2633 1.2633 1.7042 1.7042 1.8202 1.8202 1.9568 1.9568 2.0877 2.0877 2.7626 2.7626 2.9622 2.9622 3.1212 3.1212 3.1486 3.1486 3.3573 3.3573 3.3761 3.3761 4.6114 4.6114 4.8804 4.8804 4.9092 4.9092 4.9475 4.9475 5.0388 5.0388 5.0717 5.0717 5.1513 5.1513 5.1783 5.1783 5.3500 5.3500 5.6165 5.6165 5.6836 5.6836 5.7996 5.7996 6.6411 6.6411 7.0382 7.0382 7.0926 7.0926 7.7974 7.7974 8.7762 8.7762 9.6786 9.6786 9.8734 9.8734 10.3645 10.3645 11.2363 11.2363 k = 0.1833 0.1298 0.0000 ( 5578 PWs) bands (ev): -7.8663 -7.8663 -6.2884 -6.2884 -6.1023 -6.1023 -6.0834 -6.0834 -2.4106 -2.4106 1.2762 1.2762 1.6757 1.6757 1.8438 1.8438 1.9711 1.9711 2.0965 2.0965 2.8001 2.8001 2.9311 2.9311 3.1225 3.1225 3.1503 3.1503 3.3571 3.3571 3.3757 3.3757 4.5985 4.5985 4.8840 4.8840 4.9197 4.9197 4.9483 4.9483 5.0366 5.0366 5.0761 5.0761 5.1631 5.1631 5.1886 5.1886 5.3363 5.3363 5.6348 5.6348 5.6949 5.6949 5.7987 5.7987 6.6013 6.6013 6.9956 6.9956 7.0535 7.0535 7.8446 7.8446 8.7793 8.7793 9.6333 9.6333 9.8163 9.8163 10.3788 10.3788 11.2173 11.2173 k = 0.2000 0.1416 0.0000 ( 5566 PWs) bands (ev): -7.8504 -7.8504 -6.3184 -6.3184 -6.1030 -6.1030 -6.0843 -6.0843 -2.3965 -2.3965 1.2914 1.2914 1.6477 1.6477 1.8672 1.8672 1.9873 1.9873 2.1057 2.1057 2.8373 2.8373 2.8980 2.8980 3.1240 3.1240 3.1522 3.1522 3.3569 3.3569 3.3753 3.3753 4.5855 4.5855 4.8876 4.8876 4.9301 4.9301 4.9491 4.9491 5.0337 5.0337 5.0811 5.0811 5.1684 5.1684 5.2004 5.2004 5.3292 5.3292 5.6544 5.6544 5.7056 5.7056 5.7998 5.7998 6.5634 6.5634 6.9511 6.9511 7.0126 7.0126 7.8880 7.8880 8.7825 8.7825 9.5846 9.5846 9.7561 9.7561 10.3948 10.3948 11.2056 11.2056 k = 0.2167 0.1534 0.0000 ( 5554 PWs) bands (ev): -7.8334 -7.8334 -6.3500 -6.3500 -6.1038 -6.1038 -6.0853 -6.0853 -2.3822 -2.3822 1.3087 1.3087 1.6204 1.6204 1.8896 1.8896 2.0058 2.0058 2.1153 2.1153 2.8604 2.8604 2.8766 2.8766 3.1256 3.1256 3.1544 3.1544 3.3568 3.3568 3.3749 3.3749 4.5721 4.5721 4.8912 4.8912 4.9399 4.9399 4.9501 4.9501 5.0302 5.0302 5.0867 5.0867 5.1712 5.1712 5.2048 5.2048 5.3339 5.3339 5.6747 5.6747 5.7146 5.7146 5.8039 5.8039 6.5271 6.5271 6.9053 6.9053 6.9703 6.9703 7.9274 7.9274 8.7855 8.7855 9.5330 9.5330 9.6934 9.6934 10.4126 10.4126 11.2011 11.2011 k = 0.2333 0.1652 0.0000 ( 5554 PWs) bands (ev): -7.8154 -7.8154 -6.3827 -6.3827 -6.1045 -6.1045 -6.0862 -6.0862 -2.3678 -2.3678 1.3283 1.3283 1.5940 1.5940 1.9104 1.9104 2.0266 2.0266 2.1251 2.1251 2.8251 2.8251 2.9111 2.9111 3.1274 3.1274 3.1567 3.1567 3.3566 3.3566 3.3745 3.3745 4.5584 4.5584 4.8949 4.8949 4.9472 4.9472 4.9528 4.9528 5.0261 5.0261 5.0928 5.0928 5.1728 5.1728 5.1998 5.1998 5.3515 5.3515 5.6947 5.6947 5.7217 5.7217 5.8122 5.8122 6.4925 6.4925 6.8585 6.8585 6.9269 6.9269 7.9624 7.9624 8.7883 8.7883 9.4794 9.4794 9.6292 9.6292 10.4324 10.4324 11.2035 11.2035 k = 0.2500 0.1770 0.0000 ( 5542 PWs) bands (ev): -7.7965 -7.7965 -6.4163 -6.4163 -6.1052 -6.1052 -6.0872 -6.0872 -2.3536 -2.3536 1.3501 1.3501 1.5687 1.5687 1.9293 1.9293 2.0494 2.0494 2.1351 2.1351 2.7870 2.7870 2.9459 2.9459 3.1292 3.1292 3.1592 3.1592 3.3564 3.3564 3.3741 3.3741 4.5442 4.5442 4.8988 4.8988 4.9489 4.9489 4.9602 4.9602 5.0214 5.0214 5.0994 5.0994 5.1720 5.1720 5.1914 5.1914 5.3781 5.3781 5.7093 5.7093 5.7316 5.7316 5.8247 5.8247 6.4592 6.4592 6.8111 6.8111 6.8829 6.8829 7.9931 7.9931 8.7909 8.7909 9.4245 9.4245 9.5642 9.5642 10.4544 10.4544 11.2122 11.2122 k = 0.2667 0.1888 0.0000 ( 5522 PWs) bands (ev): -7.7767 -7.7767 -6.4506 -6.4506 -6.1060 -6.1060 -6.0882 -6.0882 -2.3397 -2.3397 1.3743 1.3743 1.5447 1.5447 1.9464 1.9464 2.0736 2.0736 2.1451 2.1451 2.7479 2.7479 2.9795 2.9795 3.1312 3.1312 3.1618 3.1618 3.3562 3.3562 3.3737 3.3737 4.5293 4.5293 4.9027 4.9027 4.9491 4.9491 4.9677 4.9677 5.0163 5.0163 5.1062 5.1062 5.1650 5.1650 5.1877 5.1877 5.4096 5.4096 5.7126 5.7126 5.7506 5.7506 5.8408 5.8408 6.4271 6.4271 6.7637 6.7637 6.8385 6.8385 8.0195 8.0195 8.7931 8.7931 9.3692 9.3692 9.4993 9.4993 10.4784 10.4784 11.2265 11.2265 k = 0.2833 0.2006 0.0000 ( 5514 PWs) bands (ev): -7.7562 -7.7562 -6.4853 -6.4853 -6.1067 -6.1067 -6.0891 -6.0891 -2.3262 -2.3262 1.4007 1.4007 1.5220 1.5220 1.9616 1.9616 2.0984 2.0984 2.1550 2.1550 2.7084 2.7084 3.0116 3.0116 3.1333 3.1333 3.1646 3.1646 3.3561 3.3561 3.3734 3.3734 4.5136 4.5136 4.9066 4.9066 4.9489 4.9489 4.9737 4.9737 5.0109 5.0109 5.1124 5.1124 5.1551 5.1551 5.1890 5.1890 5.4440 5.4440 5.7099 5.7099 5.7738 5.7738 5.8594 5.8594 6.3960 6.3960 6.7165 6.7165 6.7943 6.7943 8.0417 8.0417 8.7949 8.7949 9.3144 9.3144 9.4351 9.4351 10.5044 10.5044 11.2454 11.2454 k = 0.3000 0.2124 0.0000 ( 5522 PWs) bands (ev): -7.7352 -7.7352 -6.5201 -6.5201 -6.1073 -6.1073 -6.0901 -6.0901 -2.3133 -2.3133 1.4293 1.4293 1.5007 1.5007 1.9751 1.9751 2.1227 2.1227 2.1648 2.1648 2.6691 2.6691 3.0419 3.0419 3.1355 3.1355 3.1674 3.1674 3.3559 3.3559 3.3730 3.3730 4.4971 4.4971 4.9104 4.9104 4.9485 4.9485 4.9772 4.9772 5.0057 5.0057 5.1167 5.1167 5.1481 5.1481 5.1924 5.1924 5.4799 5.4799 5.7047 5.7047 5.7982 5.7982 5.8798 5.8798 6.3659 6.3659 6.6699 6.6699 6.7504 6.7504 8.0599 8.0599 8.7962 8.7962 9.2610 9.2610 9.3725 9.3725 10.5320 10.5320 11.2678 11.2678 k = 0.3167 0.2243 0.0000 ( 5522 PWs) bands (ev): -7.7138 -7.7138 -6.5546 -6.5546 -6.1080 -6.1080 -6.0910 -6.0910 -2.3011 -2.3011 1.4596 1.4596 1.4814 1.4814 1.9872 1.9872 2.1452 2.1452 2.1745 2.1745 2.6309 2.6309 3.0702 3.0702 3.1376 3.1376 3.1703 3.1703 3.3558 3.3558 3.3726 3.3726 4.4798 4.4798 4.9142 4.9142 4.9479 4.9479 4.9768 4.9768 5.0022 5.0022 5.1173 5.1173 5.1472 5.1472 5.1972 5.1972 5.5166 5.5166 5.6981 5.6981 5.8234 5.8234 5.9013 5.9013 6.3365 6.3365 6.6243 6.6243 6.7072 6.7072 8.0746 8.0746 8.7967 8.7967 9.2099 9.2099 9.3121 9.3121 10.5608 10.5608 11.2923 11.2923 k = 0.3333 0.2361 0.0000 ( 5522 PWs) bands (ev): -7.6923 -7.6923 -6.5885 -6.5885 -6.1086 -6.1086 -6.0919 -6.0919 -2.2896 -2.2896 1.4617 1.4617 1.4940 1.4940 1.9977 1.9977 2.1644 2.1644 2.1841 2.1841 2.5949 2.5949 3.0964 3.0964 3.1398 3.1398 3.1733 3.1733 3.3557 3.3557 3.3723 3.3723 4.4619 4.4619 4.9177 4.9177 4.9472 4.9472 4.9724 4.9724 5.0008 5.0008 5.1159 5.1159 5.1511 5.1511 5.2035 5.2035 5.5538 5.5538 5.6906 5.6906 5.8488 5.8488 5.9235 5.9235 6.3077 6.3077 6.5800 6.5800 6.6650 6.6650 8.0859 8.0859 8.7963 8.7963 9.1620 9.1620 9.2545 9.2545 10.5903 10.5903 11.3173 11.3173 k = 0.3500 0.2479 0.0000 ( 5530 PWs) bands (ev): -7.6709 -7.6709 -6.6215 -6.6215 -6.1092 -6.1092 -6.0927 -6.0927 -2.2790 -2.2790 1.4453 1.4453 1.5286 1.5286 2.0065 2.0065 2.1787 2.1787 2.1932 2.1932 2.5627 2.5627 3.1201 3.1201 3.1421 3.1421 3.1764 3.1764 3.3556 3.3556 3.3720 3.3720 4.4436 4.4436 4.9206 4.9206 4.9464 4.9464 4.9656 4.9656 5.0004 5.0004 5.1148 5.1148 5.1563 5.1563 5.2112 5.2112 5.5908 5.5908 5.6825 5.6825 5.8742 5.8742 5.9458 5.9458 6.2796 6.2796 6.5373 6.5373 6.6243 6.6243 8.0945 8.0945 8.7945 8.7945 9.1183 9.1183 9.2004 9.2004 10.6198 10.6198 11.3410 11.3410 k = 0.3667 0.2597 0.0000 ( 5522 PWs) bands (ev): -7.6499 -7.6499 -6.6532 -6.6532 -6.1097 -6.1097 -6.0935 -6.0935 -2.2694 -2.2694 1.4303 1.4303 1.5652 1.5652 2.0136 2.0136 2.1875 2.1875 2.2008 2.2008 2.5360 2.5360 3.1396 3.1396 3.1459 3.1459 3.1798 3.1798 3.3555 3.3555 3.3717 3.3717 4.4252 4.4252 4.9230 4.9230 4.9457 4.9457 4.9584 4.9584 5.0003 5.0003 5.1152 5.1152 5.1614 5.1614 5.2204 5.2204 5.6275 5.6275 5.6740 5.6740 5.8993 5.8993 5.9679 5.9679 6.2522 6.2522 6.4967 6.4967 6.5852 6.5852 8.1006 8.1006 8.7913 8.7913 9.0795 9.0795 9.1503 9.1503 10.6486 10.6486 11.3122 11.3122 k = 0.3833 0.2715 0.0000 ( 5522 PWs) bands (ev): -7.6297 -7.6297 -6.6830 -6.6830 -6.1102 -6.1102 -6.0942 -6.0942 -2.2607 -2.2607 1.4169 1.4169 1.6035 1.6035 2.0183 2.0183 2.1896 2.1896 2.2064 2.2064 2.5163 2.5163 3.1451 3.1451 3.1602 3.1602 3.1840 3.1840 3.3555 3.3555 3.3714 3.3714 4.4073 4.4073 4.9241 4.9241 4.9453 4.9453 4.9520 4.9520 4.9999 4.9999 5.1166 5.1166 5.1658 5.1658 5.2305 5.2305 5.6632 5.6632 5.6656 5.6656 5.9239 5.9239 5.9892 5.9892 6.2256 6.2256 6.4585 6.4585 6.5482 6.5482 8.1049 8.1049 8.7861 8.7861 9.0465 9.0465 9.1047 9.1047 10.6761 10.6761 11.2555 11.2555 k = 0.4000 0.2833 0.0000 ( 5502 PWs) bands (ev): -7.6107 -7.6107 -6.7105 -6.7105 -6.1106 -6.1106 -6.0948 -6.0948 -2.2531 -2.2531 1.4053 1.4053 1.6433 1.6433 2.0200 2.0200 2.1833 2.1833 2.2116 2.2116 2.5044 2.5044 3.1472 3.1472 3.1725 3.1725 3.1908 3.1908 3.3555 3.3555 3.3712 3.3712 4.3903 4.3903 4.9237 4.9237 4.9450 4.9450 4.9472 4.9472 4.9994 4.9994 5.1189 5.1189 5.1694 5.1694 5.2411 5.2411 5.6570 5.6570 5.6982 5.6982 5.9478 5.9478 6.0092 6.0092 6.2004 6.2004 6.4230 6.4230 6.5136 6.5136 8.1076 8.1076 8.7792 8.7792 9.0196 9.0196 9.0642 9.0642 10.7015 10.7015 11.2058 11.2058 k = 0.4167 0.2951 0.0000 ( 5486 PWs) bands (ev): -7.5933 -7.5933 -6.7352 -6.7352 -6.1110 -6.1110 -6.0953 -6.0953 -2.2466 -2.2466 1.3954 1.3954 1.6843 1.6843 2.0173 2.0173 2.1702 2.1702 2.2165 2.2165 2.4993 2.4993 3.1489 3.1489 3.1791 3.1791 3.2007 3.2007 3.3555 3.3555 3.3711 3.3711 4.3747 4.3747 4.9219 4.9219 4.9429 4.9429 4.9465 4.9465 4.9988 4.9988 5.1215 5.1215 5.1725 5.1725 5.2516 5.2516 5.6491 5.6491 5.7313 5.7313 5.9703 5.9703 6.0267 6.0267 6.1772 6.1772 6.3907 6.3907 6.4819 6.4819 8.1092 8.1092 8.7707 8.7707 8.9988 8.9988 9.0292 9.0292 10.7242 10.7242 11.1633 11.1633 k = 0.4333 0.3069 0.0000 ( 5482 PWs) bands (ev): -7.5780 -7.5780 -6.7565 -6.7565 -6.1113 -6.1113 -6.0958 -6.0958 -2.2413 -2.2413 1.3872 1.3872 1.7261 1.7261 2.0085 2.0085 2.1546 2.1546 2.2208 2.2208 2.4990 2.4990 3.1502 3.1502 3.1824 3.1824 3.2110 3.2110 3.3555 3.3555 3.3709 3.3709 4.3610 4.3610 4.9194 4.9194 4.9407 4.9407 4.9475 4.9475 4.9983 4.9983 5.1240 5.1240 5.1748 5.1748 5.2612 5.2612 5.6418 5.6418 5.7619 5.7619 5.9911 5.9911 6.0402 6.0402 6.1575 6.1575 6.3623 6.3623 6.4537 6.4537 8.1101 8.1101 8.7617 8.7617 8.9835 8.9835 9.0000 9.0000 10.7436 10.7436 11.1283 11.1283 k = 0.4500 0.3187 0.0000 ( 5482 PWs) bands (ev): -7.5654 -7.5654 -6.7739 -6.7739 -6.1115 -6.1115 -6.0961 -6.0961 -2.2371 -2.2371 1.3809 1.3809 1.7684 1.7684 1.9917 1.9917 2.1405 2.1405 2.2243 2.2243 2.5013 2.5013 3.1513 3.1513 3.1845 3.1845 3.2197 3.2197 3.3555 3.3555 3.3708 3.3708 4.3497 4.3497 4.9169 4.9169 4.9390 4.9390 4.9485 4.9485 4.9978 4.9978 5.1263 5.1263 5.1766 5.1766 5.2694 5.2694 5.6357 5.6357 5.7891 5.7891 6.0094 6.0094 6.0477 6.0477 6.1434 6.1434 6.3385 6.3385 6.4298 6.4298 8.1104 8.1104 8.7531 8.7531 8.9727 8.9727 8.9771 8.9771 10.7593 10.7593 11.1009 11.1009 k = 0.4667 0.3305 0.0000 ( 5478 PWs) bands (ev): -7.5560 -7.5560 -6.7867 -6.7867 -6.1117 -6.1117 -6.0964 -6.0964 -2.2341 -2.2341 1.3763 1.3763 1.8103 1.8103 1.9667 1.9667 2.1307 2.1307 2.2268 2.2268 2.5042 2.5042 3.1521 3.1521 3.1858 3.1858 3.2261 3.2261 3.3555 3.3555 3.3708 3.3708 4.3414 4.3414 4.9149 4.9149 4.9379 4.9379 4.9495 4.9495 4.9974 4.9974 5.1281 5.1281 5.1779 5.1779 5.2757 5.2757 5.6311 5.6311 5.8111 5.8111 6.0242 6.0242 6.0486 6.0486 6.1362 6.1362 6.3204 6.3204 6.4113 6.4113 8.1105 8.1105 8.7460 8.7460 8.9598 8.9598 8.9666 8.9666 10.7708 10.7708 11.0812 11.0812 k = 0.4833 0.3423 0.0000 ( 5486 PWs) bands (ev): -7.5502 -7.5502 -6.7946 -6.7946 -6.1118 -6.1118 -6.0965 -6.0965 -2.2323 -2.2323 1.3736 1.3736 1.8506 1.8506 1.9357 1.9357 2.1253 2.1253 2.2283 2.2283 2.5065 2.5065 3.1526 3.1526 3.1865 3.1865 3.2299 3.2299 3.3556 3.3556 3.3707 3.3707 4.3362 4.3362 4.9137 4.9137 4.9372 4.9372 4.9501 4.9501 4.9971 4.9971 5.1292 5.1292 5.1786 5.1786 5.2797 5.2797 5.6281 5.6281 5.8260 5.8260 6.0342 6.0342 6.0453 6.0453 6.1341 6.1341 6.3089 6.3089 6.3994 6.3994 8.1105 8.1105 8.7414 8.7414 8.9499 8.9499 8.9628 8.9628 10.7778 10.7778 11.0694 11.0694 k = 0.5000 0.3541 0.0000 ( 5498 PWs) bands (ev): -7.5482 -7.5482 -6.7973 -6.7973 -6.1118 -6.1118 -6.0966 -6.0966 -2.2317 -2.2317 1.3727 1.3727 1.8775 1.8775 1.9117 1.9117 2.1236 2.1236 2.2288 2.2288 2.5073 2.5073 3.1527 3.1527 3.1867 3.1867 3.2312 3.2312 3.3555 3.3555 3.3707 3.3707 4.3345 4.3345 4.9131 4.9131 4.9370 4.9370 4.9503 4.9503 4.9970 4.9970 5.1296 5.1296 5.1788 5.1788 5.2810 5.2810 5.6271 5.6271 5.8313 5.8313 6.0384 6.0384 6.0428 6.0428 6.1339 6.1339 6.3049 6.3049 6.3953 6.3953 8.1105 8.1105 8.7398 8.7398 8.9465 8.9465 8.9616 8.9616 10.7802 10.7802 11.0655 11.0655 k = 0.5000 0.3541 0.0000 ( 5498 PWs) bands (ev): -7.5482 -7.5482 -6.7973 -6.7973 -6.1118 -6.1118 -6.0966 -6.0966 -2.2317 -2.2317 1.3727 1.3727 1.8775 1.8775 1.9117 1.9117 2.1236 2.1236 2.2288 2.2288 2.5073 2.5073 3.1527 3.1527 3.1867 3.1867 3.2312 3.2312 3.3555 3.3555 3.3707 3.3707 4.3345 4.3345 4.9131 4.9131 4.9370 4.9370 4.9503 4.9503 4.9970 4.9970 5.1296 5.1296 5.1788 5.1788 5.2810 5.2810 5.6271 5.6271 5.8313 5.8313 6.0384 6.0384 6.0428 6.0428 6.1339 6.1339 6.3049 6.3049 6.3953 6.3953 8.1105 8.1105 8.7398 8.7398 8.9465 8.9465 8.9616 8.9616 10.7802 10.7802 11.0655 11.0655 k = 0.4915 0.3661 0.0147 ( 5493 PWs) bands (ev): -7.5478 -7.5477 -6.7972 -6.7965 -6.1129 -6.1120 -6.0973 -6.0971 -2.2311 -2.2309 1.3735 1.3738 1.8590 1.8923 1.9107 1.9123 2.0992 2.1434 2.2281 2.2283 2.5049 2.5141 3.1510 3.1534 3.1857 3.1867 3.2287 3.2338 3.3542 3.3558 3.3696 3.3708 4.3351 4.3373 4.9121 4.9140 4.9318 4.9365 4.9388 4.9669 4.9897 5.0037 5.1266 5.1267 5.1683 5.1986 5.2782 5.2845 5.6227 5.6304 5.8293 5.8296 6.0340 6.0407 6.0432 6.0439 6.1319 6.1324 6.2984 6.3127 6.3950 6.3974 8.1104 8.1111 8.7419 8.7435 8.9479 8.9487 8.9639 8.9667 10.7825 10.7837 11.0678 11.0681 k = 0.4830 0.3781 0.0295 ( 5495 PWs) bands (ev): -7.5465 -7.5463 -6.7960 -6.7946 -6.1155 -6.1140 -6.0990 -6.0983 -2.2290 -2.2286 1.3763 1.3768 1.8379 1.9007 1.9088 1.9143 2.0724 2.1563 2.2255 2.2280 2.5074 2.5246 3.1484 3.1530 3.1836 3.1854 3.2263 3.2364 3.3519 3.3550 3.3676 3.3701 4.3392 4.3436 4.9106 4.9144 4.9154 4.9339 4.9403 4.9806 4.9843 5.0098 5.1144 5.1232 5.1704 5.2218 5.2759 5.2887 5.6171 5.6322 5.8242 5.8243 6.0270 6.0382 6.0458 6.0472 6.1264 6.1291 6.2945 6.3178 6.3992 6.4005 8.1108 8.1122 8.7496 8.7528 8.9527 8.9541 8.9740 8.9794 10.7907 10.7929 11.0752 11.0759 k = 0.4745 0.3901 0.0442 ( 5495 PWs) bands (ev): -7.5443 -7.5441 -6.7938 -6.7918 -6.1203 -6.1187 -6.1010 -6.0993 -2.2256 -2.2250 1.3810 1.3818 1.8147 1.9012 1.9057 1.9177 2.0460 2.1605 2.2208 2.2290 2.5151 2.5382 3.1446 3.1516 3.1805 3.1826 3.2244 3.2387 3.3486 3.3532 3.3646 3.3685 4.3468 4.3533 4.8984 4.9087 4.9147 4.9319 4.9414 4.9725 4.9996 5.0154 5.0988 5.1212 5.1791 5.2457 5.2746 5.2941 5.6108 5.6329 5.8158 5.8166 6.0172 6.0324 6.0466 6.0512 6.1201 6.1272 6.2913 6.3155 6.4056 6.4112 8.1118 8.1139 8.7621 8.7671 8.9607 8.9626 8.9925 9.0001 10.8046 10.8079 11.0877 11.0886 k = 0.4659 0.4022 0.0589 ( 5493 PWs) bands (ev): -7.5413 -7.5410 -6.7907 -6.7879 -6.1278 -6.1264 -6.1027 -6.0996 -2.2208 -2.2200 1.3876 1.3887 1.7898 1.8978 1.9016 1.9153 2.0235 2.1566 2.2141 2.2308 2.5279 2.5544 3.1397 3.1492 3.1765 3.1784 3.2229 3.2408 3.3445 3.3505 3.3609 3.3662 4.3578 4.3661 4.8817 4.9062 4.9145 4.9301 4.9421 4.9630 5.0152 5.0204 5.0837 5.1212 5.1899 5.2636 5.2800 5.3009 5.6041 5.6325 5.8049 5.8074 6.0049 6.0231 6.0437 6.0515 6.1176 6.1297 6.2866 6.3049 6.4139 6.4305 8.1132 8.1159 8.7785 8.7853 8.9728 8.9747 9.0195 9.0289 10.8240 10.8282 11.1051 11.1064 k = 0.4574 0.4142 0.0737 ( 5505 PWs) bands (ev): -7.5375 -7.5371 -6.7865 -6.7831 -6.1382 -6.1370 -6.1038 -6.0994 -2.2148 -2.2138 1.3961 1.3974 1.7634 1.8920 1.8962 1.9023 2.0089 2.1469 2.2056 2.2316 2.5450 2.5725 3.1337 3.1457 3.1714 3.1725 3.2218 3.2425 3.3397 3.3470 3.3566 3.3632 4.3719 4.3820 4.8656 4.9031 4.9139 4.9283 4.9419 4.9534 5.0249 5.0306 5.0705 5.1231 5.2009 5.2656 5.3009 5.3096 5.5973 5.6312 5.7922 5.7976 5.9904 6.0102 6.0361 6.0453 6.1223 6.1378 6.2786 6.2878 6.4263 6.4547 8.1149 8.1183 8.7973 8.8057 8.9897 8.9913 9.0550 9.0657 10.8486 10.8537 11.1275 11.1291 k = 0.4489 0.4262 0.0884 ( 5517 PWs) bands (ev): -7.5329 -7.5325 -6.7814 -6.7773 -6.1511 -6.1501 -6.1045 -6.0989 -2.2076 -2.2065 1.4065 1.4080 1.7358 1.8755 1.8876 1.8897 2.0022 2.1333 2.1956 2.2303 2.5658 2.5923 3.1266 3.1412 3.1652 3.1652 3.2209 3.2438 3.3343 3.3430 3.3518 3.3596 4.3890 4.4006 4.8502 4.8994 4.9130 4.9267 4.9377 4.9471 5.0290 5.0456 5.0595 5.1269 5.2108 5.2641 5.3206 5.3244 5.5906 5.6292 5.7785 5.7880 5.9740 5.9941 6.0246 6.0340 6.1327 6.1507 6.2660 6.2672 6.4427 6.4816 8.1168 8.1209 8.8169 8.8266 9.0128 9.0134 9.0988 9.1103 10.8780 10.8837 11.1550 11.1569 k = 0.4404 0.4382 0.1031 ( 5525 PWs) bands (ev): -7.5275 -7.5271 -6.7754 -6.7705 -6.1662 -6.1654 -6.1050 -6.0981 -2.1995 -2.1982 1.4186 1.4203 1.7073 1.8442 1.8791 1.8821 1.9996 2.1175 2.1845 2.2264 2.5891 2.6131 3.1184 3.1355 3.1565 3.1577 3.2201 3.2447 3.3285 3.3387 3.3468 3.3555 4.4088 4.4216 4.8358 4.8952 4.9115 4.9254 4.9283 4.9459 5.0328 5.0503 5.0607 5.1326 5.2194 5.2622 5.3336 5.3468 5.5846 5.6269 5.7643 5.7791 5.9563 5.9756 6.0105 6.0201 6.1443 6.1669 6.2404 6.2546 6.4623 6.5100 8.1189 8.1236 8.8361 8.8466 9.0413 9.0426 9.1508 9.1625 10.9116 10.9178 11.1877 11.1899 k = 0.4319 0.4503 0.1179 ( 5517 PWs) bands (ev): -7.5215 -7.5210 -6.7683 -6.7628 -6.1835 -6.1827 -6.1053 -6.0973 -2.1905 -2.1890 1.4325 1.4344 1.6780 1.8087 1.8699 1.8732 1.9982 2.1003 2.1728 2.2202 2.6142 2.6348 3.1091 3.1287 3.1463 3.1489 3.2193 3.2451 3.3224 3.3342 3.3418 3.3509 4.4311 4.4449 4.8224 4.8904 4.9094 4.9180 4.9243 4.9458 5.0366 5.0433 5.0754 5.1398 5.2265 5.2600 5.3485 5.3671 5.5795 5.6245 5.7502 5.7717 5.9378 5.9556 5.9950 6.0048 6.1513 6.1846 6.2127 6.2455 6.4841 6.5390 8.1209 8.1262 8.8541 8.8649 9.0752 9.0792 9.2107 9.2222 10.9488 10.9554 11.2260 11.2284 k = 0.4234 0.4623 0.1326 ( 5513 PWs) bands (ev): -7.5149 -7.5143 -6.7604 -6.7542 -6.2025 -6.2018 -6.1054 -6.0963 -2.1808 -2.1792 1.4481 1.4500 1.6483 1.7710 1.8595 1.8632 1.9964 2.0824 2.1607 2.2118 2.6400 2.6569 3.0988 3.1207 3.1349 3.1388 3.2184 3.2451 3.3161 3.3296 3.3372 3.3460 4.4555 4.4700 4.8102 4.8851 4.9057 4.9092 4.9234 4.9460 5.0378 5.0402 5.0897 5.1483 5.2323 5.2577 5.3645 5.3845 5.5755 5.6221 5.7366 5.7662 5.9188 5.9349 5.9787 5.9886 6.1469 6.1780 6.2086 6.2467 6.5073 6.5681 8.1228 8.1286 8.8709 8.8814 9.1146 9.1217 9.2782 9.2889 10.9889 10.9956 11.2703 11.2726 k = 0.4149 0.4743 0.1473 ( 5517 PWs) bands (ev): -7.5078 -7.5071 -6.7515 -6.7447 -6.2231 -6.2225 -6.1054 -6.0953 -2.1707 -2.1689 1.4652 1.4669 1.6184 1.7323 1.8480 1.8520 1.9938 2.0645 2.1486 2.2017 2.6659 2.6791 3.0875 3.1113 3.1222 3.1276 3.2174 3.2446 3.3098 3.3251 3.3329 3.3410 4.4817 4.4966 4.7992 4.8796 4.8980 4.9048 4.9225 4.9462 5.0337 5.0440 5.1035 5.1578 5.2373 5.2553 5.3809 5.3984 5.5729 5.6196 5.7241 5.7630 5.8998 5.9140 5.9622 5.9719 6.1297 6.1457 6.2295 6.2594 6.5313 6.5968 8.1245 8.1308 8.8866 8.8966 9.1585 9.1690 9.3526 9.3623 11.0312 11.0377 11.3208 11.3230 k = 0.4063 0.4863 0.1621 ( 5525 PWs) bands (ev): -7.5002 -7.4995 -6.7418 -6.7343 -6.2451 -6.2444 -6.1054 -6.0943 -2.1602 -2.1583 1.4837 1.4848 1.5888 1.6931 1.8354 1.8396 1.9902 2.0471 2.1366 2.1901 2.6913 2.7010 3.0752 3.1000 3.1084 3.1158 3.2163 3.2437 3.3036 3.3204 3.3291 3.3359 4.5094 4.5242 4.7895 4.8737 4.8904 4.9012 4.9219 4.9466 5.0306 5.0479 5.1165 5.1679 5.2421 5.2529 5.3973 5.4087 5.5716 5.6171 5.7131 5.7624 5.8812 5.8935 5.9461 5.9551 6.1046 6.1111 6.2523 6.2792 6.5554 6.6246 8.1257 8.1325 8.9016 8.9112 9.2060 9.2199 9.4333 9.4418 11.0748 11.0810 11.3779 11.3799 k = 0.3978 0.4984 0.1768 ( 5525 PWs) bands (ev): -7.4924 -7.4916 -6.7313 -6.7231 -6.2681 -6.2674 -6.1053 -6.0932 -2.1496 -2.1475 1.5021 1.5034 1.5608 1.6538 1.8219 1.8263 1.9858 2.0307 2.1250 2.1772 2.7156 2.7222 3.0619 3.0865 3.0940 3.1040 3.2149 3.2424 3.2978 3.3157 3.3258 3.3312 4.5382 4.5523 4.7810 4.8678 4.8842 4.8974 4.9214 4.9473 5.0284 5.0521 5.1283 5.1781 5.2470 5.2506 5.4130 5.4151 5.5716 5.6141 5.7044 5.7642 5.8632 5.8735 5.9311 5.9389 6.0753 6.0754 6.2760 6.3023 6.5792 6.6513 8.1265 8.1337 8.9165 8.9254 9.2561 9.2731 9.5196 9.5266 11.1192 11.1249 11.4418 11.4434 k = 0.3893 0.5104 0.1915 ( 5527 PWs) bands (ev): -7.4843 -7.4835 -6.7199 -6.7111 -6.2918 -6.2912 -6.1051 -6.0921 -2.1390 -2.1369 1.5093 1.5239 1.5441 1.6149 1.8078 1.8122 1.9809 2.0156 2.1137 2.1633 2.7381 2.7421 3.0474 3.0706 3.0795 3.0930 3.2133 3.2407 3.2924 3.3106 3.3229 3.3268 4.5677 4.5804 4.7738 4.8619 4.8797 4.8935 4.9211 4.9484 5.0269 5.0567 5.1384 5.1880 5.2485 5.2527 5.4181 5.4277 5.5728 5.6104 5.6984 5.7684 5.8462 5.8543 5.9175 5.9238 6.0390 6.0437 6.3002 6.3272 6.6022 6.6765 8.1268 8.1342 8.9316 8.9399 9.3077 9.3276 9.6108 9.6161 11.1638 11.1688 11.5124 11.5136 k = 0.3808 0.5224 0.2063 ( 5527 PWs) bands (ev): -7.4763 -7.4754 -6.7077 -6.6983 -6.3161 -6.3154 -6.1049 -6.0910 -2.1287 -2.1264 1.4895 1.5441 1.5548 1.5771 1.7936 1.7980 1.9761 2.0023 2.1027 2.1484 2.7582 2.7604 3.0316 3.0526 3.0658 3.0828 3.2115 3.2386 3.2876 3.3053 3.3205 3.3231 4.5975 4.6079 4.7680 4.8563 4.8773 4.8896 4.9209 4.9499 5.0258 5.0617 5.1464 5.1967 5.2471 5.2592 5.4183 5.4411 5.5746 5.6058 5.6955 5.7743 5.8306 5.8359 5.9059 5.9105 6.0025 6.0109 6.3246 6.3527 6.6241 6.6999 8.1264 8.1341 8.9470 8.9547 9.3601 9.3822 9.7058 9.7095 11.2083 11.2126 11.5895 11.5903 k = 0.3723 0.5344 0.2210 ( 5531 PWs) bands (ev): -7.4684 -7.4675 -6.6948 -6.6847 -6.3406 -6.3398 -6.1047 -6.0900 -2.1189 -2.1165 1.4620 1.5358 1.5679 1.5733 1.7802 1.7846 1.9716 1.9909 2.0918 2.1328 2.7753 2.7761 3.0140 3.0329 3.0538 3.0738 3.2096 3.2362 3.2833 3.2997 3.3184 3.3198 4.6270 4.6340 4.7636 4.8510 4.8769 4.8861 4.9209 4.9521 5.0252 5.0670 5.1522 5.2030 5.2472 5.2667 5.4163 5.4529 5.5765 5.6004 5.6952 5.7813 5.8171 5.8183 5.8967 5.9000 5.9667 5.9779 6.3490 6.3782 6.6445 6.7213 8.1254 8.1332 8.9631 8.9702 9.4124 9.4362 9.8039 9.8057 11.2523 11.2559 11.6729 11.6731 k = 0.3638 0.5464 0.2357 ( 5535 PWs) bands (ev): -7.4608 -7.4599 -6.6811 -6.6704 -6.3649 -6.3640 -6.1045 -6.0889 -2.1096 -2.1072 1.4336 1.4993 1.5859 1.5910 1.7691 1.7736 1.9680 1.9818 2.0809 2.1164 2.7884 2.7885 2.9947 3.0118 3.0446 3.0666 3.2074 3.2334 3.2798 3.2940 3.3164 3.3170 4.6555 4.6580 4.7607 4.8462 4.8780 4.8836 4.9212 4.9554 5.0249 5.0729 5.1558 5.2057 5.2496 5.2748 5.4128 5.4629 5.5782 5.5947 5.6972 5.7876 5.8016 5.8072 5.8895 5.8926 5.9327 5.9454 6.3730 6.4032 6.6631 6.7403 8.1238 8.1317 8.9800 8.9865 9.4637 9.4885 9.9039 9.9040 11.2957 11.2985 11.7617 11.7621 k = 0.3553 0.5585 0.2505 ( 5543 PWs) bands (ev): -7.4537 -7.4528 -6.6668 -6.6555 -6.3887 -6.3878 -6.1042 -6.0879 -2.1012 -2.0987 1.4056 1.4629 1.6006 1.6047 1.7627 1.7677 1.9656 1.9749 2.0699 2.0995 2.7967 2.7973 2.9738 2.9896 3.0389 3.0616 3.2050 3.2304 3.2771 3.2884 3.3144 3.3146 4.6793 4.6822 4.7599 4.8421 4.8777 4.8849 4.9217 4.9602 5.0248 5.0792 5.1575 5.2044 5.2540 5.2831 5.4087 5.4711 5.5788 5.5888 5.7007 5.7862 5.7888 5.8053 5.8802 5.8880 5.9057 5.9149 6.3963 6.4272 6.6796 6.7567 8.1216 8.1295 8.9977 9.0037 9.5131 9.5382 10.0028 10.0050 11.3381 11.3403 11.8554 11.8564 k = 0.3467 0.5705 0.2652 ( 5537 PWs) bands (ev): -7.4474 -7.4464 -6.6519 -6.6399 -6.4118 -6.4107 -6.1040 -6.0870 -2.0938 -2.0912 1.3783 1.4274 1.6087 1.6111 1.7638 1.7699 1.9647 1.9704 2.0586 2.0821 2.8002 2.8011 2.9515 2.9664 3.0371 3.0594 3.2025 3.2273 3.2752 3.2830 3.3120 3.3129 4.6975 4.7052 4.7623 4.8389 4.8759 4.8895 4.9225 4.9670 5.0251 5.0859 5.1577 5.2001 5.2595 5.2909 5.4045 5.4777 5.5780 5.5829 5.7050 5.7724 5.7854 5.8097 5.8593 5.8771 5.8972 5.8976 6.4184 6.4498 6.6939 6.7704 8.1190 8.1267 9.0164 9.0218 9.5600 9.5846 10.1013 10.1056 11.3793 11.3809 11.9384 11.9547 k = 0.3382 0.5825 0.2799 ( 5541 PWs) bands (ev): -7.4420 -7.4411 -6.6363 -6.6238 -6.4336 -6.4325 -6.1037 -6.0861 -2.0874 -2.0849 1.3518 1.3930 1.6085 1.6090 1.7741 1.7815 1.9657 1.9683 2.0470 2.0642 2.7988 2.7998 2.9282 2.9424 3.0391 3.0599 3.1998 3.2239 3.2742 3.2779 3.3097 3.3110 4.7125 4.7221 4.7696 4.8367 4.8743 4.8946 4.9237 4.9763 5.0256 5.0930 5.1569 5.1933 5.2648 5.2975 5.4008 5.4827 5.5753 5.5769 5.7093 5.7602 5.7814 5.8096 5.8419 5.8529 5.9004 5.9005 6.4389 6.4704 6.7055 6.7810 8.1159 8.1235 9.0361 9.0410 9.6036 9.6269 10.1979 10.2044 11.4190 11.4200 11.9423 11.9642 k = 0.3297 0.5945 0.2947 ( 5545 PWs) bands (ev): -7.4380 -7.4370 -6.6203 -6.6071 -6.4540 -6.4526 -6.1035 -6.0852 -2.0823 -2.0797 1.3265 1.3598 1.5998 1.6009 1.7926 1.8012 1.9688 1.9690 2.0350 2.0460 2.7929 2.7938 2.9041 2.9177 3.0446 3.0628 3.1971 3.2204 3.2734 3.2740 3.3072 3.3091 4.7247 4.7316 4.7823 4.8359 4.8731 4.8991 4.9253 4.9876 5.0267 5.1002 5.1559 5.1847 5.2693 5.3024 5.3981 5.4867 5.5703 5.5706 5.7129 5.7488 5.7697 5.8050 5.8316 5.8417 5.9084 5.9106 6.4573 6.4887 6.7144 6.7884 8.1127 8.1201 9.0569 9.0611 9.6435 9.6647 10.2909 10.2997 11.4568 11.4572 11.9520 11.9673 k = 0.3212 0.6066 0.3094 ( 5549 PWs) bands (ev): -7.4354 -7.4344 -6.6038 -6.5899 -6.4724 -6.4708 -6.1033 -6.0844 -2.0786 -2.0760 1.3023 1.3279 1.5860 1.5886 1.8166 1.8263 1.9725 1.9743 2.0227 2.0274 2.7833 2.7838 2.8793 2.8927 3.0525 3.0675 3.1943 3.2168 3.2695 3.2748 3.3047 3.3070 4.7347 4.7366 4.7964 4.8375 4.8723 4.9025 4.9273 4.9993 5.0288 5.1073 5.1552 5.1746 5.2726 5.3053 5.3968 5.4898 5.5628 5.5641 5.7153 5.7362 5.7470 5.8101 5.8186 5.8489 5.9202 5.9257 6.4734 6.5041 6.7204 6.7924 8.1094 8.1165 9.0786 9.0823 9.6791 9.6974 10.3787 10.3895 11.4921 11.4922 11.9707 11.9793 k = 0.3127 0.6186 0.3241 ( 5549 PWs) bands (ev): -7.4345 -7.4336 -6.5869 -6.5723 -6.4886 -6.4867 -6.1031 -6.0837 -2.0763 -2.0738 1.2794 1.2976 1.5698 1.5736 1.8435 1.8543 1.9791 1.9826 2.0088 2.0102 2.7707 2.7710 2.8542 2.8673 3.0619 3.0732 3.1914 3.2132 3.2663 3.2764 3.3020 3.3047 4.7397 4.7431 4.8074 4.8426 4.8718 4.9050 4.9300 5.0086 5.0331 5.1139 5.1560 5.1632 5.2746 5.3059 5.3969 5.4924 5.5545 5.5564 5.7129 5.7218 5.7244 5.8159 5.8216 5.8585 5.9356 5.9452 6.4867 6.5163 6.7235 6.7930 8.1064 8.1132 9.1013 9.1044 9.7105 9.7251 10.4592 10.4720 11.5241 11.5247 12.0000 12.0019 k = 0.3127 0.6186 0.3241 ( 5549 PWs) bands (ev): -7.4345 -7.4336 -6.5869 -6.5723 -6.4886 -6.4867 -6.1031 -6.0837 -2.0763 -2.0738 1.2794 1.2976 1.5698 1.5736 1.8435 1.8543 1.9791 1.9826 2.0088 2.0102 2.7707 2.7710 2.8542 2.8673 3.0619 3.0732 3.1914 3.2132 3.2663 3.2764 3.3020 3.3047 4.7397 4.7431 4.8074 4.8426 4.8718 4.9050 4.9300 5.0086 5.0331 5.1139 5.1560 5.1632 5.2746 5.3059 5.3969 5.4924 5.5545 5.5564 5.7129 5.7218 5.7244 5.8159 5.8216 5.8585 5.9356 5.9452 6.4867 6.5163 6.7235 6.7930 8.1064 8.1132 9.1013 9.1044 9.7105 9.7251 10.4592 10.4720 11.5241 11.5247 12.0000 12.0019 k = 0.2943 0.6134 0.3305 ( 5543 PWs) bands (ev): -7.4352 -7.4344 -6.5803 -6.5656 -6.4937 -6.4901 -6.1033 -6.0837 -2.0761 -2.0736 1.2696 1.2847 1.5612 1.5656 1.8552 1.8666 1.9837 1.9875 2.0021 2.0066 2.7587 2.7606 2.8482 2.8612 3.0661 3.0758 3.1898 3.2113 3.2650 3.2771 3.3006 3.3035 4.7400 4.7463 4.8111 4.8459 4.8721 4.9066 4.9314 5.0116 5.0360 5.1165 5.1565 5.1585 5.2738 5.3027 5.3980 5.4884 5.5456 5.5641 5.7084 5.7098 5.7257 5.8158 5.8294 5.8665 5.9421 5.9553 6.4850 6.5156 6.7289 6.7959 8.1049 8.1116 9.1117 9.1182 9.7225 9.7353 10.4909 10.5042 11.5378 11.5386 12.0139 12.0178 k = 0.2759 0.6082 0.3369 ( 5535 PWs) bands (ev): -7.4372 -7.4364 -6.5764 -6.5623 -6.4939 -6.4872 -6.1040 -6.0842 -2.0767 -2.0742 1.2597 1.2721 1.5500 1.5550 1.8661 1.8785 1.9892 1.9940 1.9984 2.0071 2.7378 2.7412 2.8508 2.8638 3.0701 3.0783 3.1874 3.2089 3.2636 3.2772 3.2988 3.3021 4.7396 4.7485 4.8146 4.8488 4.8732 4.9096 4.9328 5.0143 5.0397 5.1191 5.1526 5.1584 5.2705 5.2943 5.3993 5.4757 5.5425 5.5768 5.6999 5.7054 5.7285 5.8169 5.8382 5.8807 5.9477 5.9663 6.4717 6.5056 6.7416 6.8039 8.1031 8.1100 9.1257 9.1373 9.7337 9.7446 10.5198 10.5333 11.5529 11.5538 12.0283 12.0365 k = 0.2575 0.6030 0.3433 ( 5533 PWs) bands (ev): -7.4403 -7.4395 -6.5764 -6.5636 -6.4876 -6.4780 -6.1054 -6.0854 -2.0781 -2.0756 1.2501 1.2601 1.5360 1.5425 1.8761 1.8900 1.9914 1.9982 2.0040 2.0131 2.7116 2.7161 2.8585 2.8718 3.0737 3.0805 3.1842 3.2058 3.2620 3.2769 3.2967 3.3004 4.7389 4.7499 4.8178 4.8508 4.8750 4.9139 4.9343 5.0164 5.0438 5.1214 5.1479 5.1598 5.2650 5.2825 5.3993 5.4592 5.5432 5.5924 5.6926 5.7043 5.7316 5.8209 5.8473 5.8990 5.9530 5.9773 6.4506 6.4887 6.7569 6.8140 8.1014 8.1087 9.1440 9.1604 9.7442 9.7537 10.5459 10.5592 11.5700 11.5710 12.0433 12.0561 k = 0.2391 0.5978 0.3496 ( 5534 PWs) bands (ev): -7.4441 -7.4433 -6.5796 -6.5684 -6.4755 -6.4638 -6.1074 -6.0873 -2.0800 -2.0777 1.2408 1.2488 1.5197 1.5282 1.8858 1.9011 1.9923 1.9997 2.0168 2.0234 2.6827 2.6881 2.8689 2.8829 3.0769 3.0827 3.1803 3.2021 3.2603 3.2761 3.2943 3.2984 4.7381 4.7509 4.8206 4.8517 4.8776 4.9194 4.9358 5.0181 5.0478 5.1233 5.1440 5.1617 5.2578 5.2689 5.3970 5.4422 5.5462 5.6092 5.6873 5.7053 5.7348 5.8285 5.8568 5.9191 5.9592 5.9884 6.4250 6.4671 6.7710 6.8235 8.1004 8.1080 9.1666 9.1873 9.7545 9.7632 10.5694 10.5821 11.5894 11.5904 12.0578 12.0753 k = 0.2207 0.5926 0.3560 ( 5533 PWs) bands (ev): -7.4486 -7.4478 -6.5848 -6.5751 -6.4596 -6.4463 -6.1102 -6.0899 -2.0826 -2.0803 1.2319 1.2386 1.5017 1.5125 1.8955 1.9120 1.9941 2.0019 2.0313 2.0361 2.6525 2.6586 2.8808 2.8955 3.0797 3.0848 3.1757 3.1978 3.2586 3.2748 3.2915 3.2961 4.7374 4.7517 4.8227 4.8517 4.8809 4.9254 4.9374 5.0194 5.0509 5.1246 5.1409 5.1642 5.2492 5.2550 5.3926 5.4260 5.5505 5.6256 5.6839 5.7079 5.7386 5.8396 5.8663 5.9361 5.9707 6.0001 6.3967 6.4426 6.7815 6.8304 8.1003 8.1084 9.1931 9.2173 9.7647 9.7736 10.5903 10.6023 11.6112 11.6124 12.0704 12.0929 k = 0.2023 0.5873 0.3624 ( 5534 PWs) bands (ev): -7.4533 -7.4526 -6.5910 -6.5825 -6.4412 -6.4268 -6.1138 -6.0933 -2.0855 -2.0833 1.2235 1.2297 1.4826 1.4959 1.9058 1.9228 1.9968 2.0047 2.0466 2.0501 2.6219 2.6285 2.8937 2.9092 3.0820 3.0868 3.1704 3.1927 3.2568 3.2731 3.2886 3.2937 4.7368 4.7527 4.8237 4.8510 4.8847 4.9314 4.9392 5.0204 5.0528 5.1253 5.1386 5.1672 5.2381 5.2435 5.3865 5.4112 5.5554 5.6394 5.6829 5.7118 5.7436 5.8539 5.8754 5.9449 5.9921 6.0133 6.3671 6.4164 6.7867 6.8332 8.1015 8.1100 9.2230 9.2500 9.7753 9.7851 10.6088 10.6198 11.6354 11.6369 12.0795 12.1072 k = 0.1839 0.5821 0.3688 ( 5531 PWs) bands (ev): -7.4583 -7.4576 -6.5974 -6.5900 -6.4214 -6.4061 -6.1183 -6.0976 -2.0887 -2.0866 1.2156 1.2221 1.4631 1.4787 1.9167 1.9339 2.0004 2.0080 2.0622 2.0647 2.5912 2.5982 2.9072 2.9236 3.0840 3.0887 3.1645 3.1870 3.2551 3.2710 3.2856 3.2912 4.7366 4.7541 4.8236 4.8498 4.8891 4.9367 4.9415 5.0212 5.0531 5.1249 5.1371 5.1709 5.2252 5.2353 5.3794 5.3981 5.5605 5.6480 5.6856 5.7170 5.7502 5.8704 5.8838 5.9485 6.0194 6.0296 6.3370 6.3890 6.7858 6.8312 8.1044 8.1131 9.2558 9.2845 9.7865 9.7975 10.6250 10.6350 11.6618 11.6639 12.0828 12.1158 k = 0.1655 0.5769 0.3752 ( 5534 PWs) bands (ev): -7.4632 -7.4626 -6.6036 -6.5972 -6.4008 -6.3848 -6.1236 -6.1028 -2.0921 -2.0901 1.2084 1.2158 1.4441 1.4615 1.9282 1.9451 2.0043 2.0115 2.0774 2.0794 2.5611 2.5683 2.9211 2.9383 3.0857 3.0905 3.1578 3.1806 3.2534 3.2684 3.2826 3.2887 4.7368 4.7557 4.8225 4.8484 4.8938 4.9402 4.9451 5.0217 5.0522 5.1225 5.1365 5.1751 5.2129 5.2288 5.3721 5.3867 5.5654 5.6501 5.6926 5.7231 5.7587 5.8847 5.8943 5.9502 6.0437 6.0557 6.3069 6.3612 6.7787 6.8239 8.1089 8.1177 9.2906 9.3201 9.7987 9.8106 10.6392 10.6480 11.6901 11.6930 12.0778 12.1152 k = 0.1471 0.5717 0.3815 ( 5537 PWs) bands (ev): -7.4680 -7.4674 -6.6095 -6.6039 -6.3799 -6.3632 -6.1299 -6.1090 -2.0955 -2.0937 1.2021 1.2104 1.4259 1.4446 1.9401 1.9565 2.0086 2.0152 2.0920 2.0936 2.5318 2.5390 2.9353 2.9532 3.0873 3.0920 3.1506 3.1736 3.2517 3.2654 3.2798 3.2863 4.7377 4.7576 4.8205 4.8465 4.8988 4.9421 4.9496 5.0216 5.0506 5.1178 5.1370 5.1797 5.2017 5.2241 5.3649 5.3769 5.5699 5.6479 5.7013 5.7301 5.7687 5.8898 5.9125 5.9517 6.0663 6.0890 6.2773 6.3333 6.7655 6.8112 8.1149 8.1235 9.3265 9.3559 9.8118 9.8242 10.6514 10.6591 11.7198 11.7236 12.0626 12.1021 k = 0.1288 0.5665 0.3879 ( 5533 PWs) bands (ev): -7.4725 -7.4720 -6.6149 -6.6101 -6.3589 -6.3417 -6.1371 -6.1162 -2.0988 -2.0972 1.1967 1.2059 1.4092 1.4285 1.9520 1.9679 2.0130 2.0191 2.1055 2.1070 2.5038 2.5109 2.9496 2.9682 3.0887 3.0933 3.1430 3.1659 3.2500 3.2621 3.2773 3.2840 4.7391 4.7598 4.8180 4.8442 4.9040 4.9434 4.9542 5.0206 5.0490 5.1112 5.1382 5.1839 5.1925 5.2210 5.3585 5.3687 5.5742 5.6436 5.7100 5.7374 5.7797 5.8906 5.9330 5.9540 6.0920 6.1240 6.2489 6.3055 6.7471 6.7934 8.1221 8.1303 9.3625 9.3907 9.8255 9.8380 10.6619 10.6685 11.7499 11.7551 12.0373 12.0754 k = 0.1104 0.5613 0.3943 ( 5535 PWs) bands (ev): -7.4766 -7.4762 -6.6196 -6.6156 -6.3383 -6.3206 -6.1452 -6.1244 -2.1019 -2.1005 1.1924 1.2019 1.3944 1.4134 1.9636 1.9786 2.0175 2.0232 2.1178 2.1194 2.4776 2.4844 2.9640 2.9829 3.0900 3.0942 3.1349 3.1577 3.2482 3.2586 3.2752 3.2819 4.7411 4.7621 4.8153 4.8412 4.9092 4.9441 4.9587 5.0184 5.0481 5.1035 5.1397 5.1813 5.1913 5.2191 5.3530 5.3619 5.5782 5.6384 5.7183 5.7446 5.7909 5.8885 5.9536 5.9580 6.1203 6.1581 6.2234 6.2784 6.7243 6.7710 8.1301 8.1376 9.3974 9.4234 9.8396 9.8514 10.6708 10.6763 11.7792 11.7860 12.0051 12.0384 k = 0.0920 0.5561 0.4007 ( 5537 PWs) bands (ev): -7.4802 -7.4799 -6.6236 -6.6203 -6.3181 -6.3002 -6.1543 -6.1337 -2.1047 -2.1036 1.1891 1.1985 1.3819 1.3997 1.9745 1.9882 2.0222 2.0274 2.1286 2.1304 2.4537 2.4599 2.9781 2.9971 3.0910 3.0950 3.1267 3.1490 3.2466 3.2552 3.2736 3.2798 4.7437 4.7642 4.8127 4.8377 4.9144 4.9443 4.9633 5.0150 5.0482 5.0954 5.1413 5.1742 5.1954 5.2180 5.3486 5.3564 5.5820 5.6326 5.7262 5.7510 5.8016 5.8842 5.9631 5.9750 6.1480 6.1823 6.2109 6.2528 6.6989 6.7450 8.1382 8.1448 9.4300 9.4531 9.8535 9.8641 10.6782 10.6827 11.8054 11.8147 11.9716 11.9976 k = 0.0736 0.5509 0.4071 ( 5531 PWs) bands (ev): -7.4833 -7.4830 -6.6269 -6.6243 -6.2988 -6.2807 -6.1641 -6.1440 -2.1072 -2.1062 1.1868 1.1954 1.3719 1.3877 1.9841 1.9960 2.0272 2.0317 2.1379 2.1399 2.4327 2.4382 2.9919 3.0105 3.0914 3.0956 3.1189 3.1400 3.2451 3.2519 3.2725 3.2780 4.7468 4.7657 4.8109 4.8337 4.9194 4.9439 4.9679 5.0106 5.0493 5.0874 5.1429 5.1678 5.1997 5.2171 5.3454 5.3519 5.5859 5.6266 5.7338 5.7563 5.8114 5.8782 5.9713 5.9947 6.1537 6.1954 6.2175 6.2432 6.6726 6.7166 8.1460 8.1515 9.4592 9.4785 9.8666 9.8755 10.6843 10.6879 11.8246 11.8376 11.9441 11.9604 k = 0.0552 0.5457 0.4134 ( 5534 PWs) bands (ev): -7.4857 -7.4855 -6.6295 -6.6275 -6.2804 -6.2628 -6.1743 -6.1551 -2.1091 -2.1084 1.1854 1.1926 1.3647 1.3774 1.9921 2.0014 2.0324 2.0358 2.1456 2.1474 2.4154 2.4199 3.0050 3.0223 3.0909 3.0960 3.1121 3.1310 3.2440 3.2490 3.2718 3.2763 4.7503 4.7664 4.8101 4.8293 4.9242 4.9429 4.9728 5.0055 5.0513 5.0799 5.1446 5.1623 5.2035 5.2163 5.3433 5.3484 5.5899 5.6205 5.7409 5.7598 5.8204 5.8710 5.9820 6.0124 6.1384 6.1952 6.2259 6.2663 6.6483 6.6876 8.1528 8.1571 9.4838 9.4987 9.8781 9.8850 10.6891 10.6917 11.8318 11.8483 11.9301 11.9363 k = 0.0368 0.5405 0.4198 ( 5534 PWs) bands (ev): -7.4875 -7.4873 -6.6312 -6.6299 -6.2635 -6.2476 -6.1839 -6.1669 -2.1105 -2.1100 1.1850 1.1902 1.3602 1.3692 1.9983 2.0046 2.0371 2.0393 2.1515 2.1530 2.4025 2.4057 3.0170 3.0313 3.0897 3.0956 3.1079 3.1224 3.2433 3.2466 3.2717 3.2748 4.7539 4.7657 4.8108 4.8248 4.9286 4.9412 4.9779 5.0000 5.0541 5.0731 5.1464 5.1577 5.2068 5.2152 5.3422 5.3458 5.5942 5.6147 5.7475 5.7612 5.8290 5.8630 5.9948 6.0250 6.1256 6.1723 6.2550 6.2870 6.6294 6.6601 8.1583 8.1612 9.5029 9.5130 9.8873 9.8920 10.6927 10.6944 11.8277 11.8422 11.9299 11.9310 k = 0.0184 0.5353 0.4262 ( 5544 PWs) bands (ev): -7.4885 -7.4884 -6.6321 -6.6315 -6.2489 -6.2380 -6.1899 -6.1785 -2.1113 -2.1111 1.1854 1.1881 1.3585 1.3632 2.0025 2.0057 2.0405 2.0416 2.1553 2.1562 2.3947 2.3964 3.0271 3.0357 3.0892 3.0936 3.1073 3.1150 3.2431 3.2448 3.2720 3.2736 4.7576 4.7638 4.8129 4.8203 4.9325 4.9389 4.9832 4.9943 5.0576 5.0671 5.1485 5.1540 5.2096 5.2137 5.3420 5.3438 5.5988 5.6090 5.7532 5.7604 5.8374 5.8546 6.0086 6.0282 6.1233 6.1507 6.2794 6.2975 6.6200 6.6372 8.1620 8.1635 9.5157 9.5208 9.8936 9.8960 10.6950 10.6958 11.8222 11.8301 11.9344 11.9346 k = 0.0000 0.5301 0.4326 ( 5548 PWs) bands (ev): -7.4888 -7.4888 -6.6322 -6.6322 -6.2388 -6.2388 -6.1877 -6.1877 -2.1115 -2.1115 1.1864 1.1864 1.3596 1.3596 2.0050 2.0050 2.0421 2.0421 2.1570 2.1570 2.3926 2.3926 3.0340 3.0340 3.0908 3.0908 3.1099 3.1099 3.2436 3.2436 3.2726 3.2726 4.7610 4.7610 4.8162 4.8162 4.9360 4.9360 4.9887 4.9887 5.0619 5.0619 5.1509 5.1509 5.2118 5.2118 5.3426 5.3426 5.6037 5.6037 5.7576 5.7576 5.8460 5.8460 6.0212 6.0212 6.1331 6.1331 6.2947 6.2947 6.6227 6.6227 8.1638 8.1638 9.5217 9.5217 9.8966 9.8966 10.6960 10.6960 11.8224 11.8224 11.9367 11.9367 k = 0.0000 0.5301 0.4326 ( 5548 PWs) bands (ev): -7.4888 -7.4888 -6.6322 -6.6322 -6.2388 -6.2388 -6.1877 -6.1877 -2.1115 -2.1115 1.1864 1.1864 1.3596 1.3596 2.0050 2.0050 2.0421 2.0421 2.1570 2.1570 2.3926 2.3926 3.0340 3.0340 3.0908 3.0908 3.1099 3.1099 3.2436 3.2436 3.2726 3.2726 4.7610 4.7610 4.8162 4.8162 4.9360 4.9360 4.9887 4.9887 5.0619 5.0619 5.1509 5.1509 5.2118 5.2118 5.3426 5.3426 5.6037 5.6037 5.7576 5.7576 5.8460 5.8460 6.0212 6.0212 6.1331 6.1331 6.2947 6.2947 6.6227 6.6227 8.1638 8.1638 9.5217 9.5217 9.8966 9.8966 10.6960 10.6960 11.8224 11.8224 11.9367 11.9367 k = 0.0083 0.5183 0.4470 ( 5542 PWs) bands (ev): -7.4885 -7.4885 -6.6321 -6.6316 -6.2392 -6.2391 -6.1882 -6.1878 -2.1121 -2.1120 1.1846 1.1867 1.3552 1.3579 1.9939 2.0008 2.0321 2.0353 2.1675 2.1847 2.3930 2.3936 3.0329 3.0348 3.0907 3.0912 3.1099 3.1107 3.2435 3.2438 3.2726 3.2729 4.7593 4.7623 4.8163 4.8166 4.9353 4.9369 4.9873 4.9905 5.0605 5.0633 5.1495 5.1524 5.2082 5.2148 5.3387 5.3493 5.5929 5.6043 5.7579 5.7683 5.8408 5.8492 6.0221 6.0224 6.1342 6.1384 6.2936 6.2950 6.6217 6.6222 8.1613 8.1621 9.5186 9.5257 9.8963 9.8981 10.6918 10.6946 11.8224 11.8232 11.9355 11.9368 k = 0.0167 0.5065 0.4614 ( 5536 PWs) bands (ev): -7.4874 -7.4874 -6.6312 -6.6303 -6.2403 -6.2402 -6.1892 -6.1882 -2.1138 -2.1136 1.1812 1.1855 1.3451 1.3502 1.9602 1.9689 2.0330 2.0365 2.2037 2.2299 2.3947 2.3960 3.0315 3.0352 3.0911 3.0921 3.1109 3.1124 3.2435 3.2440 3.2728 3.2734 4.7572 4.7630 4.8170 4.8173 4.9348 4.9382 4.9862 4.9927 5.0592 5.0646 5.1484 5.1538 5.2042 5.2169 5.3374 5.3588 5.5755 5.5949 5.7688 5.7845 5.8361 5.8510 6.0245 6.0257 6.1419 6.1498 6.2915 6.2946 6.6190 6.6199 8.1547 8.1563 9.5163 9.5306 9.8974 9.9009 10.6820 10.6877 11.8231 11.8248 11.9334 11.9360 k = 0.0250 0.4948 0.4758 ( 5530 PWs) bands (ev): -7.4856 -7.4855 -6.6297 -6.6284 -6.2421 -6.2420 -6.1906 -6.1892 -2.1166 -2.1162 1.1760 1.1828 1.3302 1.3371 1.9159 1.9217 2.0448 2.0505 2.2477 2.2800 2.3978 2.3998 3.0298 3.0352 3.0919 3.0933 3.1127 3.1149 3.2433 3.2442 3.2732 3.2743 4.7549 4.7630 4.8181 4.8185 4.9347 4.9396 4.9854 4.9953 5.0580 5.0655 5.1475 5.1549 5.2001 5.2179 5.3387 5.3711 5.5550 5.5792 5.7849 5.7943 5.8408 5.8540 6.0278 6.0309 6.1553 6.1667 6.2882 6.2941 6.6147 6.6160 8.1441 8.1464 9.5147 9.5365 9.8997 9.9051 10.6666 10.6755 11.8244 11.8267 11.9305 11.9341 k = 0.0333 0.4830 0.4903 ( 5536 PWs) bands (ev): -7.4832 -7.4830 -6.6275 -6.6257 -6.2446 -6.2444 -6.1925 -6.1906 -2.1204 -2.1199 1.1687 1.1785 1.3116 1.3196 1.8686 1.8707 2.0624 2.0705 2.2935 2.3312 2.4028 2.4056 3.0280 3.0348 3.0930 3.0948 3.1154 3.1181 3.2429 3.2444 3.2739 3.2756 4.7526 4.7622 4.8191 4.8208 4.9347 4.9413 4.9847 4.9982 5.0569 5.0659 5.1471 5.1558 5.1960 5.2177 5.3423 5.3860 5.5337 5.5609 5.7895 5.7981 5.8619 5.8635 6.0316 6.0376 6.1727 6.1883 6.2840 6.2945 6.6088 6.6105 8.1297 8.1327 9.5139 9.5433 9.9032 9.9105 10.6458 10.6581 11.8256 11.8284 11.9269 11.9312 k = 0.0417 0.4712 0.5047 ( 5536 PWs) bands (ev): -7.4800 -7.4798 -6.6246 -6.6223 -6.2478 -6.2476 -6.1949 -6.1926 -2.1251 -2.1246 1.1590 1.1725 1.2906 1.2987 1.8187 1.8202 2.0841 2.0946 2.3386 2.3800 2.4118 2.4142 3.0259 3.0340 3.0945 3.0967 3.1190 3.1221 3.2422 3.2445 3.2749 3.2773 4.7502 4.7607 4.8202 4.8240 4.9350 4.9432 4.9842 5.0012 5.0561 5.0660 5.1471 5.1563 5.1921 5.2167 5.3479 5.4031 5.5130 5.5421 5.7781 5.8031 5.8837 5.8906 6.0360 6.0459 6.1912 6.2137 6.2791 6.2978 6.6015 6.6035 8.1118 8.1154 9.5137 9.5512 9.9077 9.9171 10.6198 10.6359 11.8262 11.8292 11.9228 11.9274 k = 0.0500 0.4595 0.5191 ( 5542 PWs) bands (ev): -7.4762 -7.4760 -6.6210 -6.6183 -6.2517 -6.2514 -6.1978 -6.1950 -2.1308 -2.1301 1.1464 1.1646 1.2687 1.2756 1.7665 1.7715 2.1089 2.1218 2.3788 2.4078 2.4290 2.4427 3.0238 3.0329 3.0964 3.0990 3.1233 3.1266 3.2411 3.2442 3.2763 3.2794 4.7478 4.7586 4.8214 4.8281 4.9355 4.9453 4.9837 5.0043 5.0555 5.0656 5.1475 5.1566 5.1883 5.2148 5.3552 5.4219 5.4938 5.5245 5.7648 5.8021 5.9116 5.9217 6.0410 6.0557 6.2070 6.2417 6.2742 6.3072 6.5928 6.5950 8.0907 8.0948 9.5142 9.5602 9.9132 9.9249 10.5888 10.6092 11.8253 11.8282 11.9183 11.9228 k = 0.0583 0.4477 0.5335 ( 5540 PWs) bands (ev): -7.4717 -7.4715 -6.6168 -6.6136 -6.2562 -6.2559 -6.2011 -6.1978 -2.1372 -2.1365 1.1305 1.1542 1.2472 1.2515 1.7146 1.7229 2.1359 2.1511 2.4063 2.4189 2.4574 2.4911 3.0216 3.0314 3.0985 3.1015 3.1284 3.1317 3.2396 3.2437 3.2781 3.2819 4.7455 4.7561 4.8228 4.8327 4.9362 4.9476 4.9832 5.0075 5.0550 5.0648 5.1482 5.1564 5.1849 5.2124 5.3636 5.4402 5.4786 5.5088 5.7512 5.7987 5.9432 5.9530 6.0470 6.0676 6.2166 6.2611 6.2800 6.3254 6.5829 6.5852 8.0668 8.0713 9.5151 9.5703 9.9194 9.9338 10.5535 10.5785 11.8222 11.8246 11.9135 11.9175 k = 0.0667 0.4359 0.5479 ( 5542 PWs) bands (ev): -7.4666 -7.4664 -6.6119 -6.6083 -6.2613 -6.2610 -6.2049 -6.2012 -2.1444 -2.1436 1.1112 1.1410 1.2270 1.2278 1.6633 1.6747 2.1645 2.1819 2.4229 2.4292 2.4974 2.5404 3.0194 3.0298 3.1010 3.1044 3.1341 3.1372 3.2378 3.2428 3.2802 3.2847 4.7433 4.7534 4.8243 4.8379 4.9370 4.9500 4.9829 5.0106 5.0543 5.0637 5.1489 5.1556 5.1817 5.2097 5.3725 5.4472 5.4783 5.4961 5.7377 5.7946 5.9757 5.9827 6.0548 6.0824 6.2200 6.2578 6.3103 6.3518 6.5722 6.5745 8.0404 8.0451 9.5165 9.5816 9.9262 9.9437 10.5142 10.5444 11.8162 11.8177 11.9085 11.9115 k = 0.0750 0.4242 0.5624 ( 5544 PWs) bands (ev): -7.4610 -7.4607 -6.6064 -6.6024 -6.2670 -6.2667 -6.2092 -6.2050 -2.1522 -2.1514 1.0886 1.1245 1.2055 1.2085 1.6128 1.6270 2.1941 2.2135 2.4366 2.4406 2.5405 2.5887 3.0173 3.0281 3.1036 3.1075 3.1403 3.1430 3.2358 3.2416 3.2826 3.2877 4.7413 4.7506 4.8261 4.8433 4.9381 4.9526 4.9827 5.0135 5.0534 5.0624 5.1494 5.1542 5.1788 5.2066 5.3810 5.4388 5.4871 5.4971 5.7246 5.7906 6.0063 6.0091 6.0659 6.1013 6.2199 6.2523 6.3444 6.3837 6.5609 6.5629 8.0119 8.0168 9.5182 9.5941 9.9332 9.9544 10.4716 10.5075 11.8067 11.8070 11.9032 11.9050 k = 0.0833 0.4124 0.5768 ( 5542 PWs) bands (ev): -7.4548 -7.4545 -6.6003 -6.5958 -6.2732 -6.2728 -6.2139 -6.2093 -2.1606 -2.1597 1.0636 1.1045 1.1854 1.1915 1.5633 1.5801 2.2243 2.2456 2.4503 2.4532 2.5837 2.6354 3.0155 3.0264 3.1064 3.1108 3.1468 3.1491 3.2335 3.2401 3.2852 3.2908 4.7395 4.7479 4.8280 4.8487 4.9394 4.9552 4.9827 5.0164 5.0522 5.0611 5.1495 5.1519 5.1760 5.2035 5.3886 5.4296 5.4826 5.5205 5.7121 5.7871 6.0306 6.0306 6.0838 6.1247 6.2187 6.2477 6.3790 6.4182 6.5499 6.5514 7.9818 7.9866 9.5200 9.6078 9.9402 9.9660 10.4266 10.4685 11.7924 11.7935 11.8975 11.8978 k = 0.0917 0.4006 0.5912 ( 5554 PWs) bands (ev): -7.4482 -7.4479 -6.5936 -6.5887 -6.2799 -6.2795 -6.2191 -6.2141 -2.1693 -2.1684 1.0369 1.0815 1.1674 1.1756 1.5149 1.5339 2.2547 2.2778 2.4645 2.4669 2.6260 2.6802 3.0138 3.0248 3.1094 3.1143 3.1536 3.1552 3.2310 3.2383 3.2878 3.2938 4.7379 4.7454 4.8301 4.8540 4.9409 4.9579 4.9829 5.0192 5.0505 5.0597 5.1489 5.1490 5.1727 5.2000 5.3950 5.4229 5.4825 5.5446 5.7003 5.7841 6.0462 6.0474 6.1100 6.1515 6.2184 6.2452 6.4123 6.4523 6.5404 6.5414 7.9503 7.9550 9.5219 9.6227 9.9464 9.9782 10.3802 10.4281 11.7742 11.7769 11.8899 11.8913 k = 0.1000 0.3889 0.6056 ( 5558 PWs) bands (ev): -7.4412 -7.4408 -6.5863 -6.5810 -6.2870 -6.2866 -6.2248 -6.2193 -2.1784 -2.1774 1.0096 1.0567 1.1510 1.1605 1.4679 1.4887 2.2852 2.3099 2.4796 2.4818 2.6667 2.7227 3.0126 3.0235 3.1125 3.1179 3.1606 3.1613 3.2286 3.2364 3.2903 3.2967 4.7365 4.7432 4.8323 4.8590 4.9426 4.9607 4.9834 5.0219 5.0484 5.0585 5.1456 5.1475 5.1687 5.1963 5.4009 5.4197 5.4862 5.5685 5.6892 5.7815 6.0561 6.0604 6.1396 6.1784 6.2213 6.2474 6.4409 6.4796 6.5356 6.5390 7.9179 7.9223 9.5235 9.6388 9.9513 9.9909 10.3336 10.3871 11.7531 11.7575 11.8813 11.8843 k = 0.1083 0.3771 0.6200 ( 5560 PWs) bands (ev): -7.4338 -7.4335 -6.5785 -6.5728 -6.2945 -6.2941 -6.2309 -6.2250 -2.1877 -2.1866 0.9824 1.0310 1.1355 1.1458 1.4222 1.4447 2.3155 2.3416 2.4955 2.4976 2.7055 2.7626 3.0118 3.0225 3.1157 3.1217 3.1672 3.1676 3.2264 3.2345 3.2927 3.2995 4.7356 4.7413 4.8345 4.8634 4.9447 4.9635 4.9842 5.0245 5.0459 5.0576 5.1419 5.1455 5.1637 5.1923 5.4072 5.4201 5.4923 5.5910 5.6791 5.7791 6.0633 6.0705 6.1668 6.2001 6.2306 6.2586 6.4586 6.4875 6.5420 6.5563 7.8848 7.8888 9.5246 9.6558 9.9537 10.0040 10.2886 10.3466 11.7302 11.7361 11.8716 11.8763 k = 0.1167 0.3653 0.6345 ( 5550 PWs) bands (ev): -7.4261 -7.4258 -6.5702 -6.5641 -6.3023 -6.3019 -6.2374 -6.2312 -2.1970 -2.1960 0.9556 1.0052 1.1206 1.1314 1.3782 1.4019 2.3454 2.3727 2.5120 2.5142 2.7421 2.7996 3.0116 3.0220 3.1190 3.1256 3.1731 3.1746 3.2245 3.2327 3.2949 3.3019 4.7350 4.7399 4.8368 4.8670 4.9472 4.9662 4.9854 5.0270 5.0430 5.0570 5.1379 5.1428 5.1578 5.1880 5.4147 5.4241 5.4998 5.6109 5.6706 5.7766 6.0689 6.0784 6.1873 6.2136 6.2497 6.2812 6.4621 6.4814 6.5627 6.5878 7.8513 7.8549 9.5248 9.6736 9.9521 10.0173 10.2472 10.3073 11.7067 11.7138 11.8610 11.8670 k = 0.1250 0.3536 0.6489 ( 5556 PWs) bands (ev): -7.4183 -7.4179 -6.5614 -6.5549 -6.3103 -6.3099 -6.2444 -6.2378 -2.2064 -2.2053 0.9299 0.9800 1.1059 1.1172 1.3359 1.3604 2.3748 2.4031 2.5289 2.5314 2.7761 2.8334 3.0119 3.0219 3.1224 3.1295 3.1786 3.1815 3.2230 3.2310 3.2966 3.3039 4.7349 4.7389 4.8390 4.8696 4.9501 4.9688 4.9868 5.0293 5.0397 5.0568 5.1335 5.1396 5.1512 5.1834 5.4239 5.4314 5.5075 5.6257 5.6652 5.7735 6.0728 6.0841 6.2023 6.2231 6.2770 6.3104 6.4583 6.4724 6.5913 6.6224 7.8179 7.8209 9.5238 9.6917 9.9447 10.0305 10.2122 10.2704 11.6835 11.6917 11.8491 11.8563 k = 0.1333 0.3418 0.6633 ( 5556 PWs) bands (ev): -7.4103 -7.4099 -6.5522 -6.5453 -6.3185 -6.3180 -6.2518 -6.2449 -2.2156 -2.2145 0.9055 0.9557 1.0914 1.1032 1.2955 1.3205 2.4035 2.4326 2.5460 2.5488 2.8072 2.8635 3.0130 3.0225 3.1259 3.1335 3.1838 3.1882 3.2224 3.2297 3.2980 3.3055 4.7352 4.7384 4.8410 4.8712 4.9535 4.9711 4.9886 5.0315 5.0361 5.0571 5.1281 5.1360 5.1450 5.1790 5.4347 5.4416 5.5151 5.6315 5.6664 5.7694 6.0751 6.0877 6.2163 6.2331 6.3077 6.3414 6.4531 6.4641 6.6221 6.6568 7.7847 7.7870 9.5211 9.7091 9.9304 10.0433 10.1860 10.2368 11.6618 11.6707 11.8359 11.8439 k = 0.1417 0.3300 0.6777 ( 5558 PWs) bands (ev): -7.4022 -7.4018 -6.5425 -6.5352 -6.3268 -6.3262 -6.2597 -6.2524 -2.2246 -2.2236 0.8826 0.9326 1.0771 1.0895 1.2572 1.2822 2.4315 2.4612 2.5631 2.5664 2.8353 2.8898 3.0149 3.0236 3.1295 3.1374 3.1888 3.1948 3.2226 3.2288 3.2988 3.3066 4.7360 4.7385 4.8427 4.8717 4.9571 4.9730 4.9907 5.0324 5.0333 5.0578 5.1216 5.1322 5.1397 5.1748 5.4470 5.4542 5.5224 5.6290 5.6729 5.7642 6.0752 6.0889 6.2322 6.2454 6.3386 6.3717 6.4499 6.4582 6.6526 6.6897 7.7520 7.7536 9.5166 9.7240 9.9104 10.0554 10.1694 10.2075 11.6423 11.6518 11.8216 11.8299 k = 0.1500 0.3183 0.6921 ( 5564 PWs) bands (ev): -7.3942 -7.3938 -6.5325 -6.5249 -6.3350 -6.3343 -6.2679 -6.2604 -2.2332 -2.2323 0.8615 0.9108 1.0630 1.0761 1.2212 1.2457 2.4585 2.4886 2.5799 2.5838 2.8600 2.9120 3.0175 3.0254 3.1332 3.1411 3.1935 3.2011 3.2240 3.2285 3.2990 3.3071 4.7374 4.7391 4.8440 4.8710 4.9610 4.9745 4.9930 5.0290 5.0347 5.0590 5.1139 5.1283 5.1357 5.1709 5.4604 5.4688 5.5296 5.6232 5.6795 5.7576 6.0727 6.0873 6.2509 6.2608 6.3679 6.3994 6.4507 6.4559 6.6817 6.7204 7.7201 7.7210 9.5100 9.7324 9.8900 10.0660 10.1612 10.1837 11.6259 11.6357 11.8060 11.8141 k = 0.1583 0.3065 0.7066 ( 5564 PWs) bands (ev): -7.3863 -7.3859 -6.5221 -6.5141 -6.3431 -6.3424 -6.2765 -6.2687 -2.2415 -2.2406 0.8423 0.8906 1.0491 1.0631 1.1876 1.2112 2.4846 2.5147 2.5964 2.6007 2.8813 2.9300 3.0209 3.0279 3.1370 3.1446 3.1982 3.2073 3.2264 3.2289 3.2987 3.3070 4.7393 4.7404 4.8448 4.8693 4.9651 4.9755 4.9956 5.0262 5.0358 5.0604 5.1059 5.1244 5.1327 5.1674 5.4740 5.4849 5.5370 5.6169 5.6837 5.7497 6.0673 6.0824 6.2727 6.2796 6.3941 6.4214 6.4583 6.4588 6.7086 6.7483 7.6892 7.6895 9.5012 9.7284 9.8778 10.0742 10.1593 10.1667 11.6129 11.6228 11.7896 11.7970 k = 0.1667 0.2947 0.7210 ( 5572 PWs) bands (ev): -7.3787 -7.3783 -6.5115 -6.5031 -6.3510 -6.3501 -6.2855 -6.2775 -2.2493 -2.2485 0.8251 0.8719 1.0357 1.0507 1.1567 1.1787 2.5094 2.5394 2.6122 2.6170 2.8990 2.9439 3.0249 3.0310 3.1409 3.1479 3.2029 3.2132 3.2298 3.2301 3.2977 3.3062 4.7418 4.7422 4.8448 4.8665 4.9690 4.9758 4.9981 5.0242 5.0364 5.0618 5.0981 5.1205 5.1306 5.1643 5.4872 5.5021 5.5454 5.6106 5.6851 5.7407 6.0589 6.0742 6.2971 6.3015 6.4157 6.4360 6.4667 6.4756 6.7328 6.7731 7.6592 7.6596 9.4904 9.7086 9.8792 10.0785 10.1576 10.1614 11.6037 11.6134 11.7726 11.7789 k = 0.1750 0.2829 0.7354 ( 5558 PWs) bands (ev): -7.3713 -7.3710 -6.5006 -6.4919 -6.3585 -6.3575 -6.2948 -6.2867 -2.2566 -2.2558 0.8100 0.8549 1.0226 1.0388 1.1287 1.1486 2.5330 2.5624 2.6272 2.6324 2.9131 2.9539 3.0296 3.0347 3.1446 3.1508 3.2076 3.2189 3.2321 3.2343 3.2962 3.3048 4.7447 4.7450 4.8440 4.8628 4.9728 4.9756 5.0009 5.0234 5.0365 5.0631 5.0913 5.1167 5.1292 5.1616 5.4991 5.5201 5.5555 5.6049 5.6840 5.7310 6.0478 6.0629 6.3238 6.3259 6.4322 6.4476 6.4809 6.4961 6.7542 6.7944 7.6306 7.6315 9.4782 9.6775 9.8915 10.0788 10.1565 10.1660 11.5985 11.6078 11.7556 11.7605 k = 0.1833 0.2712 0.7498 ( 5562 PWs) bands (ev): -7.3644 -7.3641 -6.4894 -6.4804 -6.3657 -6.3645 -6.3045 -6.2962 -2.2633 -2.2625 0.7970 0.8395 1.0102 1.0275 1.1037 1.1209 2.5550 2.5833 2.6415 2.6469 2.9239 2.9604 3.0348 3.0391 3.1482 3.1533 3.2123 3.2243 3.2349 3.2394 3.2940 3.3027 4.7479 4.7488 4.8422 4.8582 4.9749 4.9762 5.0037 5.0235 5.0361 5.0635 5.0861 5.1131 5.1284 5.1592 5.5090 5.5381 5.5677 5.6000 5.6809 5.7207 6.0343 6.0489 6.3518 6.3519 6.4458 6.4596 6.4982 6.5161 6.7726 6.8120 7.6039 7.6053 9.4652 9.6414 9.9093 10.0764 10.1611 10.1720 11.5970 11.6057 11.7390 11.7424 k = 0.1917 0.2594 0.7642 ( 5570 PWs) bands (ev): -7.3581 -7.3578 -6.4782 -6.4688 -6.3723 -6.3709 -6.3144 -6.3061 -2.2693 -2.2686 0.7862 0.8256 0.9985 1.0169 1.0820 1.0959 2.5753 2.6019 2.6550 2.6603 2.9317 2.9637 3.0403 3.0438 3.1514 3.1554 3.2168 3.2296 3.2383 3.2449 3.2914 3.3000 4.7516 4.7531 4.8393 4.8528 4.9741 4.9790 5.0067 5.0245 5.0352 5.0626 5.0829 5.1095 5.1282 5.1569 5.5168 5.5551 5.5819 5.5966 5.6766 5.7103 6.0191 6.0331 6.3782 6.3802 6.4586 6.4729 6.5156 6.5340 6.7878 6.8258 7.5794 7.5812 9.4522 9.6044 9.9293 10.0731 10.1687 10.1786 11.5988 11.6069 11.7235 11.7254 k = 0.2000 0.2476 0.7787 ( 5568 PWs) bands (ev): -7.3523 -7.3521 -6.4668 -6.4571 -6.3783 -6.3766 -6.3246 -6.3163 -2.2746 -2.2740 0.7775 0.8132 0.9878 1.0070 1.0635 1.0740 2.5936 2.6178 2.6678 2.6724 2.9368 2.9645 3.0460 3.0489 3.1542 3.1573 3.2212 3.2348 3.2419 3.2506 3.2883 3.2967 4.7560 4.7580 4.8353 4.8466 4.9736 4.9812 5.0099 5.0261 5.0340 5.0606 5.0818 5.1061 5.1286 5.1547 5.5233 5.5681 5.5972 5.5974 5.6716 5.7001 6.0031 6.0161 6.4038 6.4078 6.4718 6.4873 6.5314 6.5490 6.8002 6.8359 7.5575 7.5595 9.4401 9.5685 9.9497 10.0698 10.1776 10.1856 11.6034 11.6104 11.7099 11.7104 k = 0.2083 0.2359 0.7931 ( 5566 PWs) bands (ev): -7.3473 -7.3471 -6.4554 -6.4454 -6.3836 -6.3815 -6.3350 -6.3268 -2.2791 -2.2786 0.7710 0.8022 0.9784 0.9975 1.0483 1.0553 2.6097 2.6307 2.6796 2.6834 2.9399 2.9633 3.0516 3.0540 3.1565 3.1588 3.2254 3.2398 3.2455 3.2560 3.2851 3.2929 4.7609 4.7634 4.8304 4.8400 4.9735 4.9826 5.0133 5.0281 5.0325 5.0579 5.0820 5.1028 5.1297 5.1527 5.5288 5.5727 5.6060 5.6127 5.6667 5.6905 5.9870 5.9988 6.4274 6.4334 6.4856 6.5024 6.5450 6.5610 6.8098 6.8423 7.5385 7.5404 9.4298 9.5352 9.9693 10.0666 10.1865 10.1923 11.6094 11.6153 11.6982 11.6987 k = 0.2167 0.2241 0.8075 ( 5568 PWs) bands (ev): -7.3430 -7.3428 -6.4441 -6.4337 -6.3880 -6.3854 -6.3455 -6.3376 -2.2829 -2.2825 0.7665 0.7926 0.9706 0.9886 1.0361 1.0403 2.6234 2.6406 2.6903 2.6929 2.9417 2.9607 3.0569 3.0588 3.1583 3.1599 3.2294 3.2446 3.2487 3.2608 3.2820 3.2887 4.7663 4.7693 4.8248 4.8329 4.9738 4.9833 5.0166 5.0302 5.0312 5.0548 5.0828 5.0997 5.1313 5.1505 5.5340 5.5712 5.6194 5.6272 5.6627 5.6818 5.9718 5.9821 6.4480 6.4554 6.4998 6.5170 6.5561 6.5699 6.8172 6.8454 7.5225 7.5243 9.4220 9.5052 9.9876 10.0633 10.1947 10.1986 11.6154 11.6201 11.6898 11.6910 k = 0.2250 0.2123 0.8219 ( 5576 PWs) bands (ev): -7.3396 -7.3395 -6.4330 -6.4224 -6.3915 -6.3883 -6.3560 -6.3485 -2.2858 -2.2855 0.7640 0.7843 0.9650 0.9802 1.0269 1.0290 2.6346 2.6475 2.6994 2.7009 2.9428 2.9573 3.0615 3.0629 3.1596 3.1608 3.2335 3.2480 3.2519 3.2647 3.2793 3.2843 4.7721 4.7754 4.8187 4.8255 4.9747 4.9831 5.0198 5.0299 5.0325 5.0516 5.0840 5.0968 5.1334 5.1482 5.5390 5.5678 5.6323 5.6393 5.6601 5.6746 5.9586 5.9669 6.4650 6.4725 6.5141 6.5299 6.5648 6.5757 6.8230 6.8456 7.5099 7.5114 9.4174 9.4792 10.0039 10.0593 10.2017 10.2040 11.6198 11.6234 11.6856 11.6870 k = 0.2333 0.2006 0.8363 ( 5566 PWs) bands (ev): -7.3372 -7.3371 -6.4226 -6.4122 -6.3935 -6.3897 -6.3662 -6.3595 -2.2879 -2.2877 0.7634 0.7773 0.9617 0.9727 1.0204 1.0213 2.6431 2.6517 2.7063 2.7070 2.9438 2.9537 3.0652 3.0661 3.1606 3.1614 3.2374 3.2488 3.2563 3.2673 3.2774 3.2801 4.7781 4.7815 4.8127 4.8183 4.9761 4.9823 5.0226 5.0288 5.0352 5.0483 5.0855 5.0941 5.1357 5.1459 5.5440 5.5636 5.6420 5.6477 5.6602 5.6695 5.9485 5.9544 6.4781 6.4840 6.5275 6.5396 6.5713 6.5788 6.8278 6.8438 7.5008 7.5019 9.4165 9.4574 10.0181 10.0544 10.2070 10.2082 11.6222 11.6246 11.6850 11.6862 k = 0.2417 0.1888 0.8507 ( 5566 PWs) bands (ev): -7.3356 -7.3356 -6.4136 -6.4063 -6.3914 -6.3891 -6.3753 -6.3703 -2.2892 -2.2891 0.7645 0.7716 0.9609 0.9667 1.0166 1.0168 2.6491 2.6534 2.7106 2.7109 2.9453 2.9502 3.0676 3.0680 3.1613 3.1616 3.2412 3.2474 3.2609 3.2677 3.2763 3.2769 4.7837 4.7865 4.8079 4.8117 4.9776 4.9809 5.0248 5.0278 5.0382 5.0449 5.0873 5.0916 5.1383 5.1434 5.5490 5.5589 5.6473 5.6508 5.6630 5.6672 5.9426 5.9457 6.4868 6.4900 6.5380 6.5446 6.5758 6.5796 6.8322 6.8405 7.4955 7.4960 9.4199 9.4403 10.0302 10.0481 10.2103 10.2108 11.6232 11.6244 11.6861 11.6868 k = 0.2500 0.1770 0.8652 ( 5576 PWs) bands (ev): -7.3351 -7.3351 -6.4076 -6.4076 -6.3871 -6.3871 -6.3788 -6.3788 -2.2895 -2.2895 0.7673 0.7673 0.9626 0.9626 1.0154 1.0154 2.6525 2.6525 2.7121 2.7121 2.9474 2.9474 3.0685 3.0685 3.1616 3.1616 3.2447 3.2447 3.2652 3.2652 3.2759 3.2759 4.7875 4.7875 4.8072 4.8072 4.9793 4.9793 5.0264 5.0264 5.0414 5.0414 5.0893 5.0893 5.1408 5.1408 5.5541 5.5541 5.6499 5.6499 5.6658 5.6658 5.9415 5.9415 6.4908 6.4908 6.5440 6.5440 6.5785 6.5785 6.8364 6.8364 7.4939 7.4939 9.4278 9.4278 10.0401 10.0401 10.2116 10.2116 11.6238 11.6238 11.6870 11.6870 k = 0.2500 0.1770 0.8652 ( 5576 PWs) bands (ev): -7.3351 -7.3351 -6.4076 -6.4076 -6.3871 -6.3871 -6.3788 -6.3788 -2.2895 -2.2895 0.7673 0.7673 0.9626 0.9626 1.0154 1.0154 2.6525 2.6525 2.7121 2.7121 2.9474 2.9474 3.0685 3.0685 3.1616 3.1616 3.2447 3.2447 3.2652 3.2652 3.2759 3.2759 4.7875 4.7875 4.8072 4.8072 4.9793 4.9793 5.0264 5.0264 5.0414 5.0414 5.0893 5.0893 5.1408 5.1408 5.5541 5.5541 5.6499 5.6499 5.6658 5.6658 5.9415 5.9415 6.4908 6.4908 6.5440 6.5440 6.5785 6.5785 6.8364 6.8364 7.4939 7.4939 9.4278 9.4278 10.0401 10.0401 10.2116 10.2116 11.6238 11.6238 11.6870 11.6870 k = 0.2639 0.1869 0.8531 ( 5565 PWs) bands (ev): -7.3353 -7.3353 -6.4103 -6.4064 -6.3889 -6.3885 -6.3781 -6.3743 -2.2895 -2.2894 0.7651 0.7699 0.9447 0.9493 1.0336 1.0343 2.6361 2.6374 2.7245 2.7261 2.9388 2.9419 3.0747 3.0753 3.1615 3.1617 3.2426 3.2465 3.2628 3.2664 3.2761 3.2767 4.7844 4.7863 4.8079 4.8110 4.9782 4.9802 5.0248 5.0256 5.0406 5.0438 5.0885 5.0913 5.1392 5.1425 5.5493 5.5556 5.6407 5.6415 5.6742 5.6742 5.9444 5.9457 6.4797 6.4833 6.5502 6.5516 6.5792 6.5809 6.8341 6.8386 7.4924 7.4928 9.4229 9.4351 10.0220 10.0337 10.2207 10.2217 11.6219 11.6223 11.6917 11.6918 k = 0.2778 0.1967 0.8411 ( 5564 PWs) bands (ev): -7.3357 -7.3357 -6.4133 -6.4073 -6.3922 -6.3908 -6.3738 -6.3686 -2.2891 -2.2890 0.7625 0.7732 0.9168 0.9269 1.0675 1.0685 2.6049 2.6064 2.7462 2.7511 2.9195 2.9261 3.0896 3.0917 3.1613 3.1619 3.2400 3.2483 3.2602 3.2658 3.2765 3.2794 4.7789 4.7823 4.8112 4.8176 4.9771 4.9807 5.0218 5.0220 5.0415 5.0465 5.0885 5.0949 5.1375 5.1443 5.5412 5.5544 5.6269 5.6277 5.6850 5.6878 5.9547 5.9561 6.4578 6.4660 6.5593 6.5624 6.5869 6.5875 6.8317 6.8400 7.4883 7.4891 9.4203 9.4451 9.9857 10.0091 10.2433 10.2453 11.6163 11.6163 11.7068 11.7070 k = 0.2917 0.2065 0.8290 ( 5562 PWs) bands (ev): -7.3364 -7.3363 -6.4163 -6.4095 -6.3948 -6.3927 -6.3687 -6.3632 -2.2884 -2.2882 0.7588 0.7769 0.8905 0.9073 1.1060 1.1072 2.5688 2.5706 2.7666 2.7765 2.8946 2.9067 3.1071 3.1117 3.1611 3.1625 3.2369 3.2500 3.2577 3.2644 3.2773 3.2830 4.7726 4.7776 4.8153 4.8251 4.9758 4.9808 5.0171 5.0182 5.0426 5.0490 5.0891 5.0999 5.1358 5.1461 5.5302 5.5506 5.6128 5.6141 5.6941 5.7011 5.9719 5.9720 6.4332 6.4457 6.5597 6.5692 6.6005 6.6047 6.8292 6.8404 7.4813 7.4827 9.4200 9.4576 9.9411 9.9752 10.2709 10.2731 11.6061 11.6071 11.7310 11.7322 k = 0.3056 0.2164 0.8170 ( 5568 PWs) bands (ev): -7.3372 -7.3371 -6.4192 -6.4124 -6.3966 -6.3942 -6.3639 -6.3586 -2.2873 -2.2871 0.7532 0.7799 0.8684 0.8929 1.1471 1.1483 2.5301 2.5321 2.7815 2.8005 2.8675 2.8892 3.1227 3.1312 3.1607 3.1637 3.2335 3.2512 3.2563 3.2632 3.2787 3.2870 4.7663 4.7728 4.8195 4.8328 4.9743 4.9802 5.0118 5.0143 5.0433 5.0511 5.0903 5.1059 5.1343 5.1481 5.5170 5.5446 5.5989 5.6012 5.7017 5.7137 5.9923 5.9946 6.4085 6.4246 6.5564 6.5706 6.6196 6.6251 6.8263 6.8396 7.4717 7.4737 9.4218 9.4723 9.8937 9.9377 10.2987 10.3004 11.5924 11.5948 11.7629 11.7650 k = 0.3194 0.2262 0.8049 ( 5567 PWs) bands (ev): -7.3380 -7.3379 -6.4218 -6.4157 -6.3976 -6.3952 -6.3597 -6.3549 -2.2856 -2.2854 0.7457 0.7801 0.8530 0.8845 1.1900 1.1913 2.4896 2.4918 2.7860 2.8217 2.8403 2.8800 3.1337 3.1475 3.1605 3.1661 3.2299 3.2498 3.2588 3.2633 3.2808 3.2912 4.7603 4.7681 4.8236 4.8402 4.9727 4.9784 5.0069 5.0105 5.0434 5.0526 5.0918 5.1125 5.1334 5.1501 5.5023 5.5366 5.5854 5.5894 5.7081 5.7255 6.0154 6.0209 6.3845 6.4037 6.5512 6.5696 6.6408 6.6463 6.8230 6.8377 7.4596 7.4623 9.4254 9.4887 9.8470 9.9004 10.3243 10.3253 11.5760 11.5799 11.7988 11.8006 k = 0.3333 0.2361 0.7929 ( 5571 PWs) bands (ev): -7.3388 -7.3388 -6.4240 -6.4190 -6.3979 -6.3958 -6.3564 -6.3523 -2.2835 -2.2832 0.7367 0.7754 0.8466 0.8816 1.2345 1.2358 2.4476 2.4500 2.7776 2.8107 2.8437 2.8825 3.1390 3.1572 3.1622 3.1694 3.2260 3.2469 3.2643 3.2654 3.2839 3.2954 4.7548 4.7639 4.8273 4.8473 4.9706 4.9751 5.0029 5.0070 5.0428 5.0534 5.0935 5.1187 5.1338 5.1521 5.4866 5.5269 5.5728 5.5788 5.7138 5.7367 6.0400 6.0493 6.3616 6.3835 6.5445 6.5670 6.6629 6.6674 6.8193 6.8345 7.4457 7.4491 9.4303 9.5054 9.8038 9.8655 10.3468 10.3470 11.5573 11.5630 11.8264 11.8278 k = 0.3472 0.2459 0.7808 ( 5565 PWs) bands (ev): -7.3396 -7.3396 -6.4259 -6.4221 -6.3978 -6.3959 -6.3541 -6.3508 -2.2807 -2.2804 0.7271 0.7665 0.8485 0.8833 1.2801 1.2814 2.4045 2.4071 2.7608 2.7843 2.8613 2.8928 3.1401 3.1579 3.1675 3.1717 3.2218 3.2434 3.2700 3.2713 3.2885 3.2996 4.7500 4.7601 4.8308 4.8539 4.9680 4.9702 5.0002 5.0042 5.0416 5.0537 5.0953 5.1232 5.1367 5.1543 5.4706 5.5160 5.5612 5.5694 5.7187 5.7473 6.0647 6.0781 6.3403 6.3642 6.5364 6.5632 6.6850 6.6878 6.8154 6.8303 7.4308 7.4348 9.4355 9.5203 9.7672 9.8351 10.3652 10.3659 11.5369 11.5446 11.8470 11.8499 k = 0.3611 0.2557 0.7688 ( 5564 PWs) bands (ev): -7.3403 -7.3403 -6.4274 -6.4251 -6.3972 -6.3957 -6.3529 -6.3506 -2.2773 -2.2770 0.7179 0.7561 0.8558 0.8886 1.3266 1.3280 2.3605 2.3633 2.7409 2.7592 2.8769 2.9058 3.1388 3.1568 3.1694 3.1724 3.2172 3.2395 3.2767 3.2779 3.2950 3.3038 4.7459 4.7569 4.8340 4.8601 4.9637 4.9645 4.9984 5.0022 5.0399 5.0532 5.0969 5.1257 5.1422 5.1566 5.4547 5.5042 5.5505 5.5612 5.7229 5.7571 6.0886 6.1063 6.3208 6.3462 6.5269 6.5582 6.7060 6.7062 6.8116 6.8252 7.4160 7.4206 9.4403 9.5301 9.7412 9.8108 10.3798 10.3815 11.5152 11.5249 11.8660 11.8699 k = 0.3750 0.2656 0.7567 ( 5556 PWs) bands (ev): -7.3410 -7.3410 -6.4285 -6.4279 -6.3962 -6.3952 -6.3526 -6.3514 -2.2732 -2.2729 0.7099 0.7466 0.8661 0.8964 1.3736 1.3750 2.3160 2.3191 2.7210 2.7360 2.8899 2.9191 3.1361 3.1547 3.1683 3.1717 3.2123 3.2353 3.2832 3.2842 3.3031 3.3079 4.7426 4.7543 4.8367 4.8658 4.9564 4.9603 4.9972 5.0011 5.0377 5.0523 5.0983 5.1276 5.1490 5.1590 5.4394 5.4923 5.5407 5.5541 5.7262 5.7661 6.1110 6.1329 6.3032 6.3295 6.5161 6.5523 6.7211 6.7246 6.8083 6.8197 7.4027 7.4077 9.4437 9.5310 9.7301 9.7941 10.3910 10.3937 11.4925 11.5043 11.8828 11.8877 k = 0.3889 0.2754 0.7446 ( 5548 PWs) bands (ev): -7.3415 -7.3415 -6.4305 -6.4293 -6.3949 -6.3944 -6.3534 -6.3533 -2.2685 -2.2682 0.7038 0.7391 0.8781 0.9062 1.4208 1.4222 2.2714 2.2748 2.7023 2.7150 2.9002 2.9312 3.1324 3.1510 3.1661 3.1703 3.2073 3.2309 3.2875 3.2912 3.3113 3.3119 4.7400 4.7523 4.8391 4.8710 4.9484 4.9553 4.9963 5.0009 5.0353 5.0507 5.0993 5.1296 5.1557 5.1616 5.4249 5.4807 5.5316 5.5480 5.7284 5.7741 6.1313 6.1572 6.2881 6.3144 6.5041 6.5456 6.7307 6.7386 6.8060 6.8143 7.3925 7.3977 9.4451 9.5221 9.7348 9.7855 10.3990 10.4027 11.4692 11.4829 11.8962 11.9021 k = 0.4028 0.2852 0.7326 ( 5552 PWs) bands (ev): -7.3420 -7.3420 -6.4332 -6.4298 -6.3933 -6.3931 -6.3563 -6.3549 -2.2632 -2.2629 0.6998 0.7341 0.8913 0.9175 1.4677 1.4690 2.2272 2.2308 2.6856 2.6968 2.9074 2.9415 3.1282 3.1455 3.1641 3.1685 3.2021 3.2262 3.2914 3.2970 3.3157 3.3185 4.7383 4.7508 4.8410 4.8758 4.9402 4.9498 4.9955 5.0013 5.0327 5.0486 5.0999 5.1321 5.1619 5.1644 5.4116 5.4700 5.5230 5.5428 5.7292 5.7808 6.1493 6.1782 6.2758 6.3008 6.4911 6.5381 6.7338 6.7458 6.8043 6.8099 7.3870 7.3922 9.4444 9.5069 9.7518 9.7852 10.4039 10.4086 11.4452 11.4608 11.9051 11.9120 k = 0.4167 0.2951 0.7205 ( 5547 PWs) bands (ev): -7.3425 -7.3424 -6.4359 -6.4302 -6.3921 -6.3909 -6.3597 -6.3570 -2.2573 -2.2570 0.6982 0.7317 0.9052 0.9298 1.5136 1.5149 2.1838 2.1877 2.6715 2.6814 2.9111 2.9494 3.1238 3.1385 3.1626 3.1667 3.1969 3.2213 3.2949 3.3011 3.3194 3.3242 4.7373 4.7500 4.8426 4.8803 4.9319 4.9439 4.9947 5.0022 5.0301 5.0462 5.1001 5.1349 5.1672 5.1672 5.3999 5.4607 5.5149 5.5384 5.7286 5.7860 6.1648 6.1946 6.2678 6.2887 6.4773 6.5299 6.7311 6.7453 6.8015 6.8059 7.3877 7.3927 9.4423 9.4901 9.7761 9.7924 10.4059 10.4115 11.4206 11.4379 11.9085 11.9165 k = 0.4306 0.3049 0.7085 ( 5556 PWs) bands (ev): -7.3429 -7.3428 -6.4390 -6.4307 -6.3910 -6.3884 -6.3633 -6.3595 -2.2508 -2.2506 0.6990 0.7322 0.9195 0.9429 1.5579 1.5590 2.1421 2.1464 2.6600 2.6690 2.9113 2.9542 3.1197 3.1308 3.1616 3.1649 3.1917 3.2163 3.2983 3.3033 3.3228 3.3279 4.7371 4.7497 4.8436 4.8845 4.9238 4.9377 4.9939 5.0034 5.0275 5.0434 5.0997 5.1381 5.1701 5.1713 5.3898 5.4531 5.5071 5.5346 5.7263 5.7895 6.1778 6.2039 6.2661 6.2781 6.4628 6.5212 6.7239 6.7386 6.7957 6.8004 7.3950 7.3997 9.4395 9.4745 9.8045 9.8056 10.4049 10.4117 11.3954 11.4141 11.9060 11.9151 k = 0.4444 0.3147 0.6964 ( 5554 PWs) bands (ev): -7.3433 -7.3432 -6.4425 -6.4316 -6.3903 -6.3855 -6.3663 -6.3621 -2.2440 -2.2437 0.7023 0.7354 0.9343 0.9567 1.5993 1.6002 2.1031 2.1079 2.6515 2.6598 2.9077 2.9555 3.1159 3.1231 3.1608 3.1632 3.1867 3.2112 3.3014 3.3038 3.3260 3.3298 4.7376 4.7498 4.8443 4.8885 4.9161 4.9316 4.9931 5.0048 5.0252 5.0404 5.0988 5.1414 5.1729 5.1741 5.3817 5.4478 5.4997 5.5315 5.7225 5.7912 6.1882 6.2051 6.2689 6.2714 6.4479 6.5121 6.7135 6.7277 6.7861 6.7914 7.4087 7.4133 9.4370 9.4619 9.8233 9.8345 10.4011 10.4090 11.3697 11.3892 11.8981 11.9082 k = 0.4583 0.3246 0.6844 ( 5554 PWs) bands (ev): -7.3439 -7.3437 -6.4468 -6.4334 -6.3901 -6.3822 -6.3679 -6.3643 -2.2368 -2.2365 0.7081 0.7414 0.9493 0.9712 1.6362 1.6369 2.0686 2.0740 2.6458 2.6537 2.9007 2.9530 3.1123 3.1157 3.1600 3.1615 3.1819 3.2062 3.3025 3.3044 3.3289 3.3299 4.7386 4.7502 4.8445 4.8923 4.9088 4.9257 4.9923 5.0064 5.0232 5.0374 5.0973 5.1447 5.1756 5.1757 5.3757 5.4448 5.4928 5.5289 5.7170 5.7908 6.1957 6.2009 6.2609 6.2806 6.4330 6.5025 6.7008 6.7144 6.7731 6.7788 7.4278 7.4323 9.4354 9.4530 9.8442 9.8648 10.3944 10.4034 11.3435 11.3634 11.8858 11.8969 k = 0.4722 0.3344 0.6723 ( 5560 PWs) bands (ev): -7.3447 -7.3445 -6.4519 -6.4366 -6.3903 -6.3786 -6.3676 -6.3659 -2.2294 -2.2292 0.7162 0.7500 0.9647 0.9864 1.6661 1.6664 2.0408 2.0469 2.6428 2.6506 2.8905 2.9467 3.1088 3.1089 3.1593 3.1598 3.1773 3.2011 3.2999 3.3070 3.3284 3.3316 4.7401 4.7508 4.8442 4.8958 4.9021 4.9203 4.9914 5.0079 5.0214 5.0344 5.0951 5.1475 5.1760 5.1782 5.3718 5.4443 5.4865 5.5268 5.7101 5.7882 6.1940 6.1997 6.2540 6.2902 6.4182 6.4925 6.6865 6.6997 6.7583 6.7637 7.4508 7.4552 9.4350 9.4477 9.8668 9.8941 10.3847 10.3949 11.3173 11.3368 11.8705 11.8829 k = 0.4861 0.3442 0.6603 ( 5564 PWs) bands (ev): -7.3457 -7.3455 -6.4578 -6.4415 -6.3900 -6.3746 -6.3666 -6.3657 -2.2219 -2.2217 0.7266 0.7611 0.9804 1.0023 1.6858 1.6859 2.0229 2.0297 2.6424 2.6502 2.8775 2.9367 3.1023 3.1049 3.1580 3.1584 3.1729 3.1962 3.2963 3.3092 3.3258 3.3339 4.7419 4.7514 4.8437 4.8962 4.8985 4.9162 4.9905 5.0092 5.0200 5.0316 5.0923 5.1494 5.1755 5.1806 5.3700 5.4461 5.4811 5.5254 5.7019 5.7836 6.1856 6.1997 6.2479 6.2980 6.4037 6.4818 6.6711 6.6847 6.7436 6.7479 7.4760 7.4805 9.4357 9.4459 9.8900 9.9214 10.3719 10.3832 11.2916 11.3100 11.8540 11.8680 k = 0.5000 0.3541 0.6482 ( 5566 PWs) bands (ev): -7.3472 -7.3469 -6.4646 -6.4481 -6.3887 -6.3705 -6.3662 -6.3627 -2.2144 -2.2143 0.7390 0.7744 0.9968 1.0191 1.6924 1.6926 2.0177 2.0251 2.6440 2.6521 2.8625 2.9235 3.0956 3.1001 3.1561 3.1574 3.1688 3.1914 3.2922 3.3107 3.3227 3.3360 4.7437 4.7518 4.8430 4.8910 4.8992 4.9149 4.9894 5.0103 5.0190 5.0293 5.0890 5.1500 5.1750 5.1829 5.3703 5.4498 5.4772 5.5247 5.6927 5.7768 6.1760 6.1954 6.2419 6.3023 6.3897 6.4702 6.6557 6.6705 6.7304 6.7334 7.5020 7.5066 9.4371 9.4468 9.9130 9.9460 10.3560 10.3683 11.2672 11.2840 11.8380 11.8540 k = 0.5000 0.3541 0.6482 ( 5566 PWs) bands (ev): -7.3472 -7.3469 -6.4646 -6.4481 -6.3887 -6.3705 -6.3662 -6.3627 -2.2144 -2.2143 0.7390 0.7744 0.9968 1.0191 1.6924 1.6926 2.0177 2.0251 2.6440 2.6521 2.8625 2.9235 3.0956 3.1001 3.1561 3.1574 3.1688 3.1914 3.2922 3.3107 3.3227 3.3360 4.7437 4.7518 4.8430 4.8910 4.8992 4.9149 4.9894 5.0103 5.0190 5.0293 5.0890 5.1500 5.1750 5.1829 5.3703 5.4498 5.4772 5.5247 5.6927 5.7768 6.1760 6.1954 6.2419 6.3023 6.3897 6.4702 6.6557 6.6705 6.7304 6.7334 7.5020 7.5066 9.4371 9.4468 9.9130 9.9460 10.3560 10.3683 11.2672 11.2840 11.8380 11.8540 k = 0.5000 0.3541 0.6273 ( 5562 PWs) bands (ev): -7.3504 -7.3501 -6.4774 -6.4611 -6.3853 -6.3651 -6.3617 -6.3560 -2.2017 -2.2017 0.7635 0.8002 1.0272 1.0503 1.6917 1.6920 2.0206 2.0287 2.6482 2.6567 2.8340 2.8961 3.0849 3.0914 3.1530 3.1557 3.1622 3.1834 3.2845 3.3093 3.3199 3.3390 4.7472 4.7520 4.8418 4.8826 4.8966 4.9172 4.9865 5.0117 5.0182 5.0260 5.0831 5.1494 5.1747 5.1866 5.3728 5.4574 5.4721 5.5243 5.6763 5.7632 6.1570 6.1800 6.2322 6.3060 6.3675 6.4489 6.6290 6.6469 6.7104 6.7108 7.5476 7.5524 9.4382 9.4489 9.9496 9.9827 10.3241 10.3378 11.2289 11.2423 11.8108 11.8305 k = 0.5000 0.3541 0.6064 ( 5556 PWs) bands (ev): -7.3542 -7.3539 -6.4909 -6.4748 -6.3816 -6.3621 -6.3536 -6.3483 -2.1891 -2.1890 0.7903 0.8279 1.0600 1.0836 1.6902 1.6905 2.0237 2.0325 2.6521 2.6607 2.8040 2.8652 3.0766 3.0840 3.1502 3.1536 3.1567 3.1761 3.2765 3.3024 3.3216 3.3417 4.7510 4.7515 4.8408 4.8741 4.8926 4.9212 4.9821 5.0125 5.0181 5.0232 5.0778 5.1482 5.1753 5.1904 5.3763 5.4653 5.4671 5.5240 5.6606 5.7491 6.1352 6.1557 6.2255 6.3093 6.3490 6.4278 6.6011 6.6224 6.6898 6.6921 7.5940 7.5990 9.4356 9.4472 9.9794 10.0112 10.2894 10.3042 11.1959 11.2061 11.7829 11.8063 k = 0.5000 0.3541 0.5855 ( 5560 PWs) bands (ev): -7.3587 -7.3583 -6.5050 -6.4891 -6.3775 -6.3586 -6.3445 -6.3397 -2.1769 -2.1767 0.8194 0.8573 1.0950 1.1187 1.6879 1.6882 2.0271 2.0366 2.6550 2.6630 2.7736 2.8322 3.0703 3.0779 3.1476 3.1496 3.1541 3.1696 3.2682 3.2938 3.3242 3.3440 4.7500 4.7550 4.8400 4.8655 4.8883 4.9251 4.9761 5.0122 5.0185 5.0217 5.0732 5.1469 5.1766 5.1941 5.3807 5.4619 5.4739 5.5238 5.6458 5.7347 6.1107 6.1241 6.2208 6.3120 6.3340 6.4071 6.5729 6.5978 6.6702 6.6749 7.6407 7.6458 9.4290 9.4415 10.0000 10.0289 10.2534 10.2682 11.1691 11.1762 11.7548 11.7820 k = 0.5000 0.3541 0.5646 ( 5546 PWs) bands (ev): -7.3637 -7.3633 -6.5195 -6.5039 -6.3727 -6.3543 -6.3349 -6.3304 -2.1654 -2.1651 0.8509 0.8885 1.1321 1.1555 1.6846 1.6849 2.0308 2.0409 2.6561 2.6613 2.7458 2.7986 3.0655 3.0731 3.1451 3.1452 3.1530 3.1641 3.2602 3.2847 3.3268 3.3460 4.7476 4.7590 4.8397 4.8569 4.8845 4.9285 4.9686 5.0107 5.0193 5.0219 5.0697 5.1459 5.1786 5.1979 5.3863 5.4570 5.4830 5.5239 5.6321 5.7203 6.0839 6.0877 6.2168 6.3137 6.3218 6.3873 6.5449 6.5737 6.6519 6.6587 7.6870 7.6924 9.4183 9.4314 10.0088 10.0326 10.2182 10.2315 11.1491 11.1534 11.7273 11.7584 k = 0.5000 0.3541 0.5437 ( 5546 PWs) bands (ev): -7.3694 -7.3689 -6.5345 -6.5191 -6.3671 -6.3491 -6.3248 -6.3205 -2.1547 -2.1543 0.8847 0.9214 1.1711 1.1938 1.6801 1.6804 2.0348 2.0454 2.6510 2.6532 2.7255 2.7674 3.0618 3.0695 3.1415 3.1426 3.1523 3.1597 3.2525 3.2755 3.3292 3.3476 4.7438 4.7623 4.8397 4.8485 4.8811 4.9308 4.9598 5.0083 5.0200 5.0235 5.0673 5.1453 5.1812 5.2016 5.3931 5.4525 5.4927 5.5243 5.6196 5.7062 6.0484 6.0552 6.2127 6.3116 6.3142 6.3684 6.5178 6.5508 6.6343 6.6430 7.7325 7.7382 9.4035 9.4168 10.0033 10.0193 10.1863 10.1961 11.1359 11.1378 11.7009 11.7358 k = 0.5000 0.3541 0.5228 ( 5536 PWs) bands (ev): -7.3757 -7.3752 -6.5497 -6.5346 -6.3606 -6.3429 -6.3142 -6.3101 -2.1451 -2.1445 0.9208 0.9558 1.2116 1.2333 1.6744 1.6746 2.0391 2.0502 2.6287 2.6426 2.7164 2.7426 3.0591 3.0670 3.1385 3.1401 3.1521 3.1566 3.2456 3.2666 3.3313 3.3489 4.7384 4.7645 4.8399 4.8412 4.8784 4.9318 4.9498 5.0055 5.0207 5.0263 5.0660 5.1452 5.1842 5.2052 5.4011 5.4486 5.5032 5.5252 5.6084 5.6924 6.0074 6.0249 6.2081 6.3027 6.3130 6.3505 6.4919 6.5295 6.6175 6.6278 7.7767 7.7828 9.3847 9.3978 9.9818 9.9891 10.1578 10.1633 11.1293 11.1294 11.6761 11.7148 k = 0.5000 0.3541 0.5019 ( 5544 PWs) bands (ev): -7.3826 -7.3820 -6.5651 -6.5503 -6.3531 -6.3358 -6.3034 -6.2994 -2.1368 -2.1361 0.9591 0.9919 1.2536 1.2737 1.6674 1.6675 2.0437 2.0551 2.5984 2.6210 2.7146 2.7279 3.0570 3.0654 3.1363 3.1376 3.1524 3.1548 3.2397 3.2583 3.3333 3.3498 4.7313 4.7646 4.8335 4.8421 4.8762 4.9315 4.9388 5.0024 5.0210 5.0302 5.0657 5.1457 5.1877 5.2087 5.4105 5.4456 5.5146 5.5270 5.5986 5.6793 5.9658 5.9935 6.2028 6.2944 6.3095 6.3335 6.4675 6.5106 6.6011 6.6130 7.8190 7.8256 9.3622 9.3747 9.9453 9.9457 10.1298 10.1323 11.1272 11.1290 11.6533 11.6956 k = 0.5000 0.3541 0.4809 ( 5546 PWs) bands (ev): -7.3900 -7.3895 -6.5805 -6.5661 -6.3448 -6.3278 -6.2922 -6.2883 -2.1299 -2.1291 0.9996 1.0294 1.2966 1.3148 1.6590 1.6590 2.0485 2.0603 2.5650 2.5903 2.7158 2.7217 3.0553 3.0647 3.1348 3.1354 3.1533 3.1541 3.2352 3.2510 3.3349 3.3504 4.7224 4.7619 4.8278 4.8447 4.8748 4.9272 4.9301 4.9991 5.0209 5.0351 5.0660 5.1467 5.1916 5.2121 5.4212 5.4436 5.5270 5.5297 5.5905 5.6671 5.9240 5.9614 6.1967 6.2862 6.3031 6.3181 6.4451 6.4943 6.5851 6.5984 7.8591 7.8664 9.3366 9.3480 9.8925 9.8983 10.0988 10.1005 11.1306 11.1337 11.6328 11.6783 k = 0.5000 0.3541 0.4600 ( 5546 PWs) bands (ev): -7.3980 -7.3975 -6.5959 -6.5819 -6.3354 -6.3187 -6.2807 -6.2769 -2.1245 -2.1236 1.0422 1.0682 1.3405 1.3563 1.6491 1.6492 2.0535 2.0655 2.5306 2.5549 2.7177 2.7199 3.0541 3.0647 3.1335 3.1339 3.1546 3.1549 3.2324 3.2450 3.3364 3.3507 4.7116 4.7558 4.8232 4.8485 4.8739 4.9156 4.9281 4.9959 5.0202 5.0406 5.0668 5.1480 5.1959 5.2154 5.4329 5.4430 5.5338 5.5404 5.5842 5.6562 5.8827 5.9291 6.1899 6.2778 6.2923 6.3052 6.4249 6.4809 6.5694 6.5841 7.8967 7.9047 9.3084 9.3183 9.8342 9.8435 10.0627 10.0652 11.1381 11.1424 11.6147 11.6630 k = 0.5000 0.3541 0.4391 ( 5552 PWs) bands (ev): -7.4065 -7.4059 -6.6112 -6.5977 -6.3252 -6.3088 -6.2692 -6.2654 -2.1208 -2.1198 1.0868 1.1083 1.3850 1.3979 1.6379 1.6381 2.0587 2.0710 2.4965 2.5176 2.7194 2.7197 3.0532 3.0652 3.1321 3.1334 3.1560 3.1573 3.2315 3.2405 3.3376 3.3507 4.6988 4.7464 4.8194 4.8534 4.8736 4.9044 4.9257 4.9928 5.0189 5.0461 5.0680 5.1493 5.2005 5.2186 5.4438 5.4451 5.5399 5.5540 5.5806 5.6469 5.8421 5.8969 6.1824 6.2688 6.2778 6.2941 6.4071 6.4703 6.5539 6.5701 7.9313 7.9401 9.2782 9.2864 9.7724 9.7840 10.0205 10.0250 11.1480 11.1533 11.5995 11.6498 k = 0.5000 0.3541 0.4182 ( 5550 PWs) bands (ev): -7.4154 -7.4147 -6.6263 -6.6133 -6.3141 -6.2981 -6.2575 -6.2537 -2.1188 -2.1176 1.1332 1.1495 1.4298 1.4393 1.6255 1.6257 2.0640 2.0764 2.4632 2.4800 2.7197 2.7203 3.0528 3.0663 3.1312 3.1332 3.1584 3.1608 3.2325 3.2380 3.3387 3.3504 4.6842 4.7339 4.8160 4.8592 4.8736 4.8944 4.9232 4.9902 5.0169 5.0509 5.0697 5.1506 5.2054 5.2216 5.4463 5.4571 5.5483 5.5642 5.5837 5.6398 5.8026 5.8650 6.1742 6.2590 6.2618 6.2829 6.3917 6.4623 6.5388 6.5563 7.9629 7.9726 9.2468 9.2528 9.7088 9.7217 9.9725 9.9793 11.1585 11.1645 11.5873 11.6389 k = 0.5000 0.3541 0.3973 ( 5544 PWs) bands (ev): -7.4246 -7.4239 -6.6411 -6.6286 -6.3023 -6.2866 -6.2457 -6.2420 -2.1184 -2.1172 1.1814 1.1917 1.4745 1.4800 1.6121 1.6121 2.0692 2.0819 2.4312 2.4430 2.7190 2.7200 3.0531 3.0679 3.1308 3.1334 3.1616 3.1652 3.2353 3.2374 3.3396 3.3499 4.6678 4.7184 4.8125 4.8654 4.8741 4.8863 4.9210 4.9880 5.0142 5.0542 5.0722 5.1516 5.2105 5.2245 5.4503 5.4680 5.5595 5.5670 5.5975 5.6356 5.7647 5.8338 6.1654 6.2452 6.2483 6.2712 6.3788 6.4564 6.5239 6.5429 7.9911 8.0017 9.2146 9.2184 9.6443 9.6580 9.9189 9.9282 11.1675 11.1740 11.5786 11.6303 k = 0.5000 0.3541 0.3764 ( 5544 PWs) bands (ev): -7.4340 -7.4333 -6.6556 -6.6437 -6.2897 -6.2745 -6.2340 -6.2303 -2.1196 -2.1184 1.2312 1.2345 1.5188 1.5192 1.5976 1.5985 2.0742 2.0874 2.4008 2.4071 2.7172 2.7181 3.0542 3.0701 3.1310 3.1339 3.1656 3.1706 3.2388 3.2399 3.3404 3.3492 4.6497 4.7004 4.8088 4.8709 4.8748 4.8812 4.9192 4.9863 5.0108 5.0556 5.0756 5.1523 5.2157 5.2271 5.4554 5.4770 5.5683 5.5726 5.6165 5.6356 5.7287 5.8036 6.1561 6.2283 6.2368 6.2589 6.3680 6.4521 6.5092 6.5298 8.0161 8.0275 9.1821 9.1836 9.5799 9.5940 9.8605 9.8722 11.1730 11.1795 11.5738 11.6242 k = 0.5000 0.3541 0.3555 ( 5536 PWs) bands (ev): -7.4435 -7.4429 -6.6697 -6.6583 -6.2767 -6.2618 -6.2224 -6.2187 -2.1225 -2.1211 1.2779 1.2823 1.5526 1.5612 1.5835 1.5889 2.0788 2.0928 2.3724 2.3730 2.7140 2.7145 3.0562 3.0730 3.1316 3.1346 3.1703 3.1768 3.2421 3.2459 3.3412 3.3484 4.6302 4.6800 4.8054 4.8721 4.8760 4.8828 4.9177 4.9854 5.0069 5.0554 5.0792 5.1524 5.2209 5.2296 5.4610 5.4837 5.5711 5.5845 5.6378 5.6424 5.6960 5.7751 6.1465 6.2113 6.2247 6.2465 6.3590 6.4489 6.4948 6.5171 8.0376 8.0499 9.1490 9.1498 9.5162 9.5304 9.7980 9.8119 11.1732 11.1794 11.5728 11.6206 k = 0.5000 0.3541 0.3346 ( 5532 PWs) bands (ev): -7.4531 -7.4525 -6.6833 -6.6725 -6.2632 -6.2488 -6.2109 -6.2073 -2.1268 -2.1254 1.3217 1.3346 1.5568 1.5641 1.6066 1.6072 2.0828 2.0982 2.3410 2.3461 2.7088 2.7091 3.0594 3.0767 3.1327 3.1357 3.1754 3.1838 3.2472 3.2532 3.3419 3.3475 4.6092 4.6574 4.8024 4.8708 4.8775 4.8887 4.9166 4.9851 5.0024 5.0540 5.0824 5.1521 5.2260 5.2317 5.4662 5.4880 5.5764 5.5904 5.6582 5.6602 5.6693 5.7493 6.1367 6.1942 6.2122 6.2341 6.3514 6.4463 6.4809 6.5047 8.0560 8.0688 9.1149 9.1179 9.4540 9.4679 9.7321 9.7480 11.1670 11.1726 11.5753 11.6190 k = 0.5000 0.3541 0.3137 ( 5532 PWs) bands (ev): -7.4627 -7.4620 -6.6964 -6.6862 -6.2494 -6.2355 -6.1997 -6.1961 -2.1324 -2.1310 1.3655 1.3878 1.5428 1.5479 1.6404 1.6482 2.0857 2.1033 2.3115 2.3222 2.7011 2.7025 3.0638 3.0814 3.1343 3.1372 3.1810 3.1913 3.2538 3.2615 3.3426 3.3466 4.5871 4.6328 4.8003 4.8703 4.8795 4.8954 4.9160 4.9855 4.9976 5.0520 5.0847 5.1512 5.2309 5.2335 5.4696 5.4893 5.5847 5.5867 5.6525 5.6803 5.6833 5.7298 6.1268 6.1774 6.1996 6.2218 6.3449 6.4438 6.4676 6.4928 8.0712 8.0845 9.0817 9.0866 9.3937 9.4073 9.6636 9.6812 11.1539 11.1587 11.5802 11.6029 k = 0.5000 0.3541 0.2927 ( 5524 PWs) bands (ev): -7.4721 -7.4715 -6.7088 -6.6993 -6.2355 -6.2221 -6.1888 -6.1852 -2.1391 -2.1377 1.4089 1.4416 1.5265 1.5312 1.6746 1.6879 2.0871 2.1084 2.2852 2.3009 2.6913 2.6942 3.0692 3.0868 3.1364 3.1391 3.1867 3.1992 3.2616 3.2703 3.3435 3.3458 4.5642 4.6070 4.7995 4.8710 4.8821 4.9020 4.9157 4.9868 4.9925 5.0494 5.0857 5.1499 5.2348 5.2356 5.4701 5.4861 5.5749 5.5962 5.6500 5.6843 5.7131 5.7312 6.1171 6.1609 6.1870 6.2096 6.3390 6.4403 6.4557 6.4813 8.0835 8.0971 9.0495 9.0561 9.3359 9.3489 9.5935 9.6124 11.1342 11.1382 11.5380 11.5405 k = 0.5000 0.3541 0.2718 ( 5530 PWs) bands (ev): -7.4813 -7.4807 -6.7206 -6.7117 -6.2216 -6.2088 -6.1782 -6.1747 -2.1468 -2.1454 1.4512 1.4947 1.5109 1.5152 1.7073 1.7255 2.0864 2.1135 2.2627 2.2822 2.6796 2.6842 3.0756 3.0931 3.1390 3.1414 3.1924 3.2070 3.2704 3.2796 3.3446 3.3451 4.5407 4.5801 4.8001 4.8727 4.8852 4.9084 4.9157 4.9872 4.9890 5.0464 5.0853 5.1481 5.2355 5.2400 5.4663 5.4761 5.5632 5.6103 5.6564 5.6728 5.7464 5.7537 6.1075 6.1450 6.1746 6.1978 6.3335 6.4336 6.4476 6.4704 8.0932 8.1068 9.0183 9.0264 9.2811 9.2934 9.5226 9.5424 11.1087 11.1122 11.4759 11.4784 k = 0.5000 0.3541 0.2509 ( 5512 PWs) bands (ev): -7.4902 -7.4896 -6.7317 -6.7235 -6.2079 -6.1957 -6.1681 -6.1646 -2.1552 -2.1538 1.4835 1.4920 1.5086 1.5511 1.7381 1.7603 2.0831 2.1188 2.2446 2.2663 2.6659 2.6727 3.0829 3.1001 3.1421 3.1441 3.1979 3.2147 3.2798 3.2890 3.3449 3.3459 4.5169 4.5527 4.8024 4.8753 4.8889 4.9147 4.9160 4.9820 4.9921 5.0433 5.0834 5.1460 5.2357 5.2443 5.4580 5.4587 5.5574 5.6245 5.6637 5.6678 5.7819 5.7820 6.0984 6.1299 6.1626 6.1864 6.3283 6.4232 6.4435 6.4601 8.1007 8.1139 8.9882 8.9973 9.2297 9.2412 9.4518 9.4722 11.0786 11.0820 11.4174 11.4199 k = 0.5000 0.3541 0.2300 ( 5508 PWs) bands (ev): -7.4987 -7.4981 -6.7421 -6.7345 -6.1945 -6.1830 -6.1584 -6.1550 -2.1642 -2.1627 1.4755 1.4761 1.5411 1.6050 1.7666 1.7920 2.0767 2.1244 2.2313 2.2531 2.6506 2.6599 3.0908 3.1076 3.1456 3.1473 3.2029 3.2218 3.2896 3.2983 3.3452 3.3474 4.4930 4.5252 4.8065 4.8785 4.8930 4.9164 4.9208 4.9767 4.9963 5.0401 5.0800 5.1436 5.2350 5.2482 5.4361 5.4447 5.5571 5.6319 5.6669 5.6823 5.8118 5.8188 6.0899 6.1155 6.1508 6.1753 6.3232 6.4117 6.4406 6.4504 8.1061 8.1188 8.9590 8.9689 9.1822 9.1927 9.3823 9.4027 11.0453 11.0489 11.3629 11.3654 k = 0.5000 0.3541 0.2091 ( 5510 PWs) bands (ev): -7.5067 -7.5061 -6.7517 -6.7448 -6.1817 -6.1709 -6.1492 -6.1459 -2.1733 -2.1719 1.4596 1.4611 1.5808 1.6585 1.7925 1.8200 2.0675 2.1308 2.2226 2.2425 2.6339 2.6460 3.0989 3.1151 3.1496 3.1508 3.2075 3.2281 3.2995 3.3072 3.3461 3.3492 4.4695 4.4981 4.8123 4.8823 4.8974 4.9168 4.9268 4.9716 5.0019 5.0369 5.0752 5.1410 5.2334 5.2518 5.4115 5.4271 5.5603 5.6312 5.6832 5.6988 5.8424 5.8563 6.0820 6.1022 6.1395 6.1648 6.3183 6.4002 6.4377 6.4413 8.1098 8.1216 8.9306 8.9409 9.1388 9.1483 9.3149 9.3350 11.0103 11.0140 11.3125 11.3149 k = 0.5000 0.3541 0.1882 ( 5508 PWs) bands (ev): -7.5142 -7.5136 -6.7604 -6.7542 -6.1696 -6.1596 -6.1406 -6.1375 -2.1825 -2.1812 1.4444 1.4462 1.6198 1.7108 1.8159 1.8440 2.0561 2.1381 2.2178 2.2341 2.6160 2.6311 3.1070 3.1226 3.1541 3.1548 3.2113 3.2333 3.3093 3.3154 3.3479 3.3512 4.4468 4.4717 4.8199 4.8865 4.9020 4.9175 4.9328 4.9667 5.0088 5.0337 5.0689 5.1382 5.2304 5.2551 5.3869 5.4061 5.5656 5.6296 5.7043 5.7167 5.8730 5.8935 6.0748 6.0899 6.1289 6.1549 6.3133 6.3892 6.4328 6.4345 8.1122 8.1229 8.9028 8.9132 9.0999 9.1084 9.2509 9.2703 10.9746 10.9787 11.2664 11.2687 k = 0.5000 0.3541 0.1673 ( 5512 PWs) bands (ev): -7.5210 -7.5205 -6.7683 -6.7628 -6.1583 -6.1492 -6.1326 -6.1296 -2.1915 -2.1902 1.4303 1.4320 1.6573 1.7613 1.8366 1.8637 2.0437 2.1463 2.2160 2.2278 2.5973 2.6155 3.1149 3.1295 3.1590 3.1591 3.2145 3.2372 3.3187 3.3229 3.3506 3.3535 4.4251 4.4466 4.8293 4.8908 4.9063 4.9182 4.9388 4.9621 5.0173 5.0305 5.0615 5.1355 5.2259 5.2581 5.3638 5.3824 5.5723 5.6292 5.7263 5.7352 5.9030 5.9297 6.0685 6.0789 6.1191 6.1459 6.3085 6.3787 6.4249 6.4308 8.1135 8.1228 8.8758 8.8859 9.0656 9.0730 9.1913 9.2095 10.9395 10.9439 11.2248 11.2269 k = 0.5000 0.3541 0.1464 ( 5514 PWs) bands (ev): -7.5272 -7.5268 -6.7753 -6.7704 -6.1480 -6.1399 -6.1251 -6.1225 -2.2000 -2.1989 1.4174 1.4190 1.6930 1.8088 1.8549 1.8792 2.0316 2.1552 2.2162 2.2232 2.5784 2.5995 3.1223 3.1357 3.1636 3.1643 3.2171 3.2398 3.3275 3.3296 3.3540 3.3559 4.4050 4.4231 4.8404 4.8950 4.9101 4.9193 4.9451 4.9578 5.0268 5.0273 5.0537 5.1329 5.2194 5.2609 5.3432 5.3572 5.5797 5.6297 5.7480 5.7537 5.9315 5.9638 6.0630 6.0693 6.1107 6.1380 6.3039 6.3686 6.4178 6.4265 8.1139 8.1218 8.8495 8.8591 9.0360 9.0424 9.1373 9.1539 10.9060 10.9105 11.1878 11.1897 k = 0.5000 0.3541 0.1255 ( 5520 PWs) bands (ev): -7.5327 -7.5323 -6.7814 -6.7772 -6.1388 -6.1319 -6.1183 -6.1161 -2.2078 -2.2068 1.4058 1.4073 1.7267 1.8504 1.8719 1.8909 2.0216 2.1636 2.2177 2.2202 2.5597 2.5833 3.1290 3.1411 3.1682 3.1696 3.2192 3.2410 3.3354 3.3355 3.3579 3.3583 4.3867 4.4017 4.8531 4.8991 4.9128 4.9211 4.9515 4.9542 5.0238 5.0328 5.0502 5.1305 5.2108 5.2634 5.3259 5.3309 5.5875 5.6309 5.7684 5.7715 5.9580 5.9943 6.0583 6.0611 6.1045 6.1317 6.2996 6.3590 6.4114 6.4217 8.1137 8.1201 8.8244 8.8330 9.0110 9.0164 9.0896 9.1043 10.8750 10.8795 11.1555 11.1572 k = 0.5000 0.3541 0.1046 ( 5504 PWs) bands (ev): -7.5374 -7.5370 -6.7865 -6.7830 -6.1309 -6.1253 -6.1121 -6.1104 -2.2148 -2.2139 1.3959 1.3972 1.7581 1.8763 1.8939 1.8993 2.0172 2.1699 2.2192 2.2199 2.5423 2.5672 3.1351 3.1455 3.1727 3.1748 3.2209 3.2411 3.3406 3.3425 3.3608 3.3617 4.3707 4.3828 4.8672 4.9028 4.9142 4.9238 4.9504 4.9590 5.0192 5.0272 5.0601 5.1287 5.2003 5.2654 5.3046 5.3124 5.5954 5.6321 5.7867 5.7881 5.9815 6.0189 6.0544 6.0546 6.1024 6.1274 6.2960 6.3498 6.4059 6.4165 8.1131 8.1181 8.8010 8.8085 8.9905 8.9949 9.0491 9.0617 10.8473 10.8515 11.1280 11.1295 k = 0.5000 0.3541 0.0836 ( 5492 PWs) bands (ev): -7.5412 -7.5410 -6.7906 -6.7879 -6.1244 -6.1200 -6.1068 -6.1056 -2.2208 -2.2200 1.3876 1.3886 1.7871 1.8882 1.9052 1.9134 2.0240 2.1718 2.2203 2.2223 2.5271 2.5516 3.1404 3.1490 3.1769 3.1793 3.2226 3.2402 3.3451 3.3481 3.3633 3.3652 4.3572 4.3667 4.8825 4.9060 4.9147 4.9267 4.9474 4.9664 5.0106 5.0202 5.0756 5.1275 5.1888 5.2643 5.2812 5.3021 5.6032 5.6330 5.8024 5.8026 6.0012 6.0347 6.0495 6.0510 6.1062 6.1255 6.2935 6.3407 6.4013 6.4111 8.1123 8.1160 8.7802 8.7863 8.9741 8.9776 9.0162 9.0265 10.8236 10.8274 11.1055 11.1067 k = 0.5000 0.3541 0.0627 ( 5488 PWs) bands (ev): -7.5443 -7.5441 -6.7938 -6.7917 -6.1192 -6.1160 -6.1025 -6.1017 -2.2255 -2.2250 1.3810 1.3818 1.8136 1.8956 1.9089 1.9182 2.0441 2.1682 2.2231 2.2247 2.5152 2.5371 3.1449 3.1515 3.1806 3.1830 3.2243 3.2386 3.3489 3.3522 3.3656 3.3680 4.3466 4.3535 4.8988 4.9086 4.9148 4.9296 4.9446 4.9741 4.9977 5.0150 5.0929 5.1271 5.1778 5.2469 5.2745 5.2945 5.6105 5.6332 5.8146 5.8150 6.0164 6.0414 6.0459 6.0482 6.1153 6.1263 6.2926 6.3315 6.3977 6.4058 8.1114 8.1139 8.7627 8.7675 8.9617 8.9642 8.9910 8.9989 10.8046 10.8077 11.0879 11.0888 k = 0.5000 0.3541 0.0418 ( 5488 PWs) bands (ev): -7.5465 -7.5463 -6.7960 -6.7946 -6.1154 -6.1134 -6.0993 -6.0989 -2.2290 -2.2286 1.3763 1.3769 1.8376 1.8986 1.9111 1.9139 2.0712 2.1588 2.2261 2.2268 2.5076 2.5243 3.1484 3.1530 3.1836 3.1855 3.2263 3.2364 3.3520 3.3548 3.3679 3.3699 4.3392 4.3437 4.9106 4.9145 4.9156 4.9323 4.9420 4.9820 4.9829 5.0097 5.1104 5.1277 5.1694 5.2223 5.2758 5.2889 5.6170 5.6323 5.8236 5.8241 6.0270 6.0427 6.0437 6.0457 6.1251 6.1291 6.2941 6.3223 6.3955 6.4012 8.1107 8.1123 8.7497 8.7529 8.9531 8.9546 8.9736 8.9790 10.7908 10.7929 11.0753 11.0760 k = 0.5000 0.3541 0.0209 ( 5498 PWs) bands (ev): -7.5478 -7.5477 -6.7972 -6.7965 -6.1129 -6.1120 -6.0973 -6.0971 -2.2311 -2.2309 1.3735 1.3738 1.8589 1.8922 1.9112 1.9119 2.0988 2.1438 2.2281 2.2282 2.5049 2.5140 3.1510 3.1533 3.1856 3.1867 3.2286 3.2338 3.3542 3.3558 3.3696 3.3708 4.3351 4.3373 4.9120 4.9140 4.9326 4.9347 4.9398 4.9669 4.9897 5.0037 5.1243 5.1291 5.1680 5.1988 5.2782 5.2845 5.6226 5.6303 5.8292 5.8296 6.0340 6.0413 6.0427 6.0438 6.1317 6.1324 6.2982 6.3132 6.3946 6.3975 8.1104 8.1111 8.7419 8.7435 8.9480 8.9487 8.9639 8.9666 10.7825 10.7837 11.0679 11.0682 k = 0.5000 0.3541 0.0000 ( 5498 PWs) bands (ev): -7.5482 -7.5482 -6.7973 -6.7973 -6.1118 -6.1118 -6.0966 -6.0966 -2.2317 -2.2317 1.3727 1.3727 1.8775 1.8775 1.9117 1.9117 2.1236 2.1236 2.2288 2.2288 2.5073 2.5073 3.1527 3.1527 3.1867 3.1867 3.2312 3.2312 3.3555 3.3555 3.3707 3.3707 4.3345 4.3345 4.9131 4.9131 4.9370 4.9370 4.9503 4.9503 4.9970 4.9970 5.1296 5.1296 5.1788 5.1788 5.2810 5.2810 5.6271 5.6271 5.8313 5.8313 6.0384 6.0384 6.0428 6.0428 6.1339 6.1339 6.3049 6.3049 6.3953 6.3953 8.1105 8.1105 8.7398 8.7398 8.9465 8.9465 8.9616 8.9616 10.7802 10.7802 11.0655 11.0655 k = 0.0000 0.0000 0.8652 ( 5520 PWs) bands (ev): -7.3354 -7.3354 -6.4180 -6.4180 -6.3835 -6.3835 -6.3708 -6.3708 -2.2960 -2.2960 0.6290 0.6290 0.8495 0.8495 1.6865 1.6865 2.0040 2.0040 2.6190 2.6190 3.0041 3.0041 3.1576 3.1576 3.2305 3.2305 3.2543 3.2543 3.2852 3.2852 3.3344 3.3344 4.7376 4.7376 4.8644 4.8644 4.9518 4.9518 4.9892 4.9892 5.0453 5.0453 5.1415 5.1415 5.1670 5.1670 5.3871 5.3871 5.5177 5.5177 5.8372 5.8372 6.2218 6.2218 6.2945 6.2945 6.5836 6.5836 6.8125 6.8125 6.9198 6.9198 7.2222 7.2222 9.3579 9.3579 9.6100 9.6100 10.4940 10.4940 11.6557 11.6557 11.9557 11.9557 k = 0.0167 0.0118 0.8652 ( 5530 PWs) bands (ev): -7.3354 -7.3354 -6.4179 -6.4179 -6.3835 -6.3835 -6.3709 -6.3709 -2.2959 -2.2959 0.6305 0.6305 0.8489 0.8489 1.6745 1.6745 2.0159 2.0159 2.6213 2.6213 3.0026 3.0026 3.1576 3.1576 3.2307 3.2307 3.2543 3.2543 3.2851 3.2851 3.3328 3.3328 4.7379 4.7379 4.8639 4.8639 4.9522 4.9522 4.9893 4.9893 5.0454 5.0454 5.1413 5.1413 5.1660 5.1660 5.3888 5.3888 5.5182 5.5182 5.8361 5.8361 6.2195 6.2195 6.2946 6.2946 6.5835 6.5835 6.8124 6.8124 6.9173 6.9173 7.2256 7.2256 9.3607 9.3607 9.6108 9.6108 10.4929 10.4929 11.6550 11.6550 11.9531 11.9531 k = 0.0333 0.0236 0.8652 ( 5542 PWs) bands (ev): -7.3354 -7.3354 -6.4176 -6.4176 -6.3836 -6.3836 -6.3712 -6.3712 -2.2957 -2.2957 0.6350 0.6350 0.8472 0.8472 1.6430 1.6430 2.0471 2.0471 2.6281 2.6281 2.9979 2.9979 3.1577 3.1577 3.2314 3.2314 3.2544 3.2544 3.2849 3.2849 3.3282 3.3282 4.7388 4.7388 4.8626 4.8626 4.9534 4.9534 4.9896 4.9896 5.0457 5.0457 5.1410 5.1410 5.1631 5.1631 5.3939 5.3939 5.5197 5.5197 5.8331 5.8331 6.2121 6.2121 6.2955 6.2955 6.5830 6.5830 6.8118 6.8118 6.9098 6.9098 7.2357 7.2357 9.3687 9.3687 9.6136 9.6136 10.4896 10.4896 11.6531 11.6531 11.9457 11.9457 k = 0.0500 0.0354 0.8652 ( 5538 PWs) bands (ev): -7.3354 -7.3354 -6.4172 -6.4172 -6.3837 -6.3837 -6.3716 -6.3716 -2.2953 -2.2953 0.6425 0.6425 0.8444 0.8444 1.5996 1.5996 2.0901 2.0901 2.6393 2.6393 2.9903 2.9903 3.1578 3.1578 3.2325 3.2325 3.2545 3.2545 3.2845 3.2845 3.3204 3.3204 4.7403 4.7403 4.8606 4.8606 4.9554 4.9554 4.9903 4.9903 5.0462 5.0462 5.1405 5.1405 5.1588 5.1588 5.4021 5.4021 5.5224 5.5224 5.8282 5.8282 6.1992 6.1992 6.2983 6.2983 6.5824 6.5824 6.8104 6.8104 6.8979 6.8979 7.2518 7.2518 9.3807 9.3807 9.6192 9.6192 10.4841 10.4841 11.6501 11.6501 11.9339 11.9339 k = 0.0667 0.0472 0.8652 ( 5542 PWs) bands (ev): -7.3353 -7.3353 -6.4166 -6.4166 -6.3838 -6.3838 -6.3721 -6.3721 -2.2949 -2.2949 0.6528 0.6528 0.8408 0.8408 1.5498 1.5498 2.1393 2.1393 2.6546 2.6546 2.9797 2.9797 3.1580 3.1580 3.2339 3.2339 3.2547 3.2547 3.2839 3.2839 3.3098 3.3098 4.7425 4.7425 4.8578 4.8578 4.9579 4.9579 4.9913 4.9913 5.0469 5.0469 5.1394 5.1394 5.1535 5.1535 5.4128 5.4128 5.5262 5.5262 5.8214 5.8214 6.1808 6.1808 6.3038 6.3038 6.5814 6.5814 6.8076 6.8076 6.8829 6.8829 7.2727 7.2727 9.3952 9.3952 9.6288 9.6288 10.4760 10.4760 11.6461 11.6461 11.9186 11.9186 k = 0.0833 0.0590 0.8652 ( 5546 PWs) bands (ev): -7.3353 -7.3353 -6.4159 -6.4159 -6.3840 -6.3840 -6.3727 -6.3727 -2.2944 -2.2944 0.6658 0.6658 0.8367 0.8367 1.4968 1.4968 2.1914 2.1914 2.6737 2.6737 2.9664 2.9664 3.1582 3.1582 3.2353 3.2353 3.2550 3.2550 3.2828 3.2828 3.2967 3.2967 4.7452 4.7452 4.8544 4.8544 4.9609 4.9609 4.9926 4.9926 5.0476 5.0476 5.1373 5.1373 5.1485 5.1485 5.4257 5.4257 5.5313 5.5313 5.8128 5.8128 6.1580 6.1580 6.3121 6.3121 6.5803 6.5803 6.8018 6.8018 6.8668 6.8668 7.2974 7.2974 9.4097 9.4097 9.6443 9.6443 10.4652 10.4652 11.6413 11.6413 11.9008 11.9008 k = 0.1000 0.0708 0.8652 ( 5550 PWs) bands (ev): -7.3353 -7.3353 -6.4151 -6.4151 -6.3842 -6.3842 -6.3735 -6.3735 -2.2937 -2.2937 0.6813 0.6813 0.8326 0.8326 1.4424 1.4424 2.2447 2.2447 2.6963 2.6963 2.9504 2.9504 3.1583 3.1583 3.2366 3.2366 3.2554 3.2554 3.2771 3.2771 3.2856 3.2856 4.7484 4.7484 4.8504 4.8504 4.9640 4.9640 4.9944 4.9944 5.0483 5.0483 5.1332 5.1332 5.1449 5.1449 5.4402 5.4402 5.5377 5.5377 5.8024 5.8024 6.1318 6.1318 6.3230 6.3230 6.5791 6.5791 6.7902 6.7902 6.8531 6.8531 7.3244 7.3244 9.4221 9.4221 9.6671 9.6671 10.4514 10.4514 11.6362 11.6362 11.8815 11.8815 k = 0.1167 0.0826 0.8652 ( 5552 PWs) bands (ev): -7.3353 -7.3353 -6.4141 -6.4141 -6.3844 -6.3844 -6.3743 -6.3743 -2.2931 -2.2931 0.6989 0.6989 0.8291 0.8291 1.3877 1.3877 2.2982 2.2982 2.7218 2.7218 2.9319 2.9319 3.1585 3.1585 3.2369 3.2369 3.2549 3.2549 3.2618 3.2618 3.2832 3.2832 4.7521 4.7521 4.8459 4.8459 4.9672 4.9672 4.9967 4.9967 5.0488 5.0488 5.1271 5.1271 5.1431 5.1431 5.4559 5.4559 5.5455 5.5455 5.7905 5.7905 6.1036 6.1036 6.3364 6.3364 6.5778 6.5778 6.7709 6.7709 6.8443 6.8443 7.3525 7.3525 9.4308 9.4308 9.6982 9.6982 10.4342 10.4342 11.6309 11.6309 11.8615 11.8615 k = 0.1333 0.0944 0.8652 ( 5560 PWs) bands (ev): -7.3352 -7.3352 -6.4131 -6.4131 -6.3847 -6.3847 -6.3752 -6.3752 -2.2924 -2.2924 0.7177 0.7177 0.8272 0.8272 1.3332 1.3332 2.3511 2.3511 2.7496 2.7496 2.9111 2.9111 3.1585 3.1585 3.2306 3.2306 3.2458 3.2458 3.2580 3.2580 3.2820 3.2820 4.7563 4.7563 4.8410 4.8410 4.9702 4.9702 4.9997 4.9997 5.0490 5.0490 5.1203 5.1203 5.1422 5.1422 5.4723 5.4723 5.5548 5.5548 5.7770 5.7770 6.0745 6.0745 6.3520 6.3520 6.5764 6.5764 6.7454 6.7454 6.8397 6.8397 7.3805 7.3805 9.4356 9.4356 9.7370 9.7370 10.4134 10.4134 11.6260 11.6260 11.8418 11.8418 k = 0.1500 0.1062 0.8652 ( 5570 PWs) bands (ev): -7.3352 -7.3352 -6.4120 -6.4120 -6.3850 -6.3850 -6.3760 -6.3760 -2.2918 -2.2918 0.7360 0.7360 0.8287 0.8287 1.2796 1.2796 2.4030 2.4030 2.7786 2.7786 2.8886 2.8886 3.1583 3.1583 3.2104 3.2104 3.2436 3.2436 3.2588 3.2588 3.2810 3.2810 4.7609 4.7609 4.8358 4.8358 4.9728 4.9728 5.0032 5.0032 5.0489 5.0489 5.1134 5.1134 5.1416 5.1416 5.4890 5.4890 5.5656 5.5656 5.7623 5.7623 6.0458 6.0458 6.3696 6.3696 6.5750 6.5750 6.7162 6.7162 6.8376 6.8376 7.4072 7.4072 9.4371 9.4371 9.7821 9.7821 10.3887 10.3887 11.6218 11.6218 11.8218 11.8218 k = 0.1667 0.1180 0.8652 ( 5570 PWs) bands (ev): -7.3352 -7.3352 -6.4109 -6.4109 -6.3854 -6.3854 -6.3768 -6.3768 -2.2911 -2.2911 0.7513 0.7513 0.8364 0.8364 1.2272 1.2272 2.4534 2.4534 2.8058 2.8058 2.8670 2.8670 3.1571 3.1571 3.1864 3.1864 3.2438 3.2438 3.2601 3.2601 3.2799 3.2799 4.7659 4.7659 4.8302 4.8302 4.9749 4.9749 5.0074 5.0074 5.0485 5.0485 5.1070 5.1070 5.1412 5.1412 5.5053 5.5053 5.5779 5.5779 5.7465 5.7465 6.0183 6.0184 6.3892 6.3892 6.5736 6.5736 6.6852 6.6852 6.8367 6.8367 7.4317 7.4317 9.4364 9.4364 9.8316 9.8316 10.3601 10.3601 11.6188 11.6188 11.7956 11.7956 k = 0.1833 0.1298 0.8652 ( 5566 PWs) bands (ev): -7.3352 -7.3352 -6.4099 -6.4099 -6.3859 -6.3859 -6.3775 -6.3775 -2.2906 -2.2906 0.7609 0.7609 0.8530 0.8530 1.1763 1.1763 2.5022 2.5022 2.8143 2.8143 2.8626 2.8626 3.1492 3.1492 3.1672 3.1672 3.2441 3.2441 3.2614 3.2614 3.2788 3.2788 4.7711 4.7711 4.8246 4.8246 4.9766 4.9766 5.0121 5.0121 5.0475 5.0475 5.1012 5.1012 5.1411 5.1411 5.5205 5.5205 5.5916 5.5916 5.7298 5.7298 5.9934 5.9934 6.4105 6.4105 6.5721 6.5721 6.6537 6.6537 6.8364 6.8364 7.4530 7.4530 9.4344 9.4344 9.8836 9.8836 10.3278 10.3278 11.6173 11.6173 11.7630 11.7630 k = 0.2000 0.1416 0.8652 ( 5562 PWs) bands (ev): -7.3351 -7.3351 -6.4090 -6.4090 -6.3863 -6.3863 -6.3780 -6.3780 -2.2902 -2.2902 0.7654 0.7654 0.8780 0.8780 1.1274 1.1274 2.5487 2.5487 2.7923 2.7923 2.8861 2.8861 3.1259 3.1259 3.1627 3.1627 3.2444 3.2444 3.2628 3.2628 3.2778 3.2778 4.7763 4.7763 4.8189 4.8189 4.9778 4.9778 5.0169 5.0169 5.0461 5.0461 5.0963 5.0963 5.1409 5.1409 5.5340 5.5340 5.6065 5.6065 5.7124 5.7124 5.9721 5.9721 6.4333 6.4333 6.5702 6.5702 6.6232 6.6232 6.8363 6.8363 7.4704 7.4704 9.4320 9.4320 9.9355 9.9355 10.2926 10.2926 11.6176 11.6176 11.7333 11.7333 k = 0.2167 0.1534 0.8652 ( 5568 PWs) bands (ev): -7.3351 -7.3351 -6.4083 -6.4083 -6.3867 -6.3867 -6.3784 -6.3784 -2.2898 -2.2898 0.7669 0.7669 0.9086 0.9086 1.0812 1.0812 2.5924 2.5924 2.7621 2.7621 2.9141 2.9141 3.0997 3.0997 3.1619 3.1619 3.2446 3.2446 3.2640 3.2640 3.2768 3.2768 4.7814 4.7814 4.8135 4.8135 4.9786 4.9786 5.0214 5.0214 5.0442 5.0442 5.0925 5.0925 5.1409 5.1409 5.5447 5.5447 5.6224 5.6224 5.6948 5.6948 5.9556 5.9556 6.4568 6.4568 6.5662 6.5662 6.5964 6.5964 6.8364 6.8364 7.4833 7.4833 9.4298 9.4298 9.9843 9.9843 10.2566 10.2566 11.6197 11.6197 11.7093 11.7093 k = 0.2333 0.1652 0.8652 ( 5568 PWs) bands (ev): -7.3351 -7.3351 -6.4078 -6.4078 -6.3870 -6.3870 -6.3787 -6.3787 -2.2896 -2.2896 0.7673 0.7673 0.9415 0.9415 1.0394 1.0394 2.6312 2.6312 2.7309 2.7309 2.9375 2.9375 3.0778 3.0778 3.1617 3.1617 3.2447 3.2447 3.2649 3.2649 3.2762 3.2762 4.7857 4.7857 4.8091 4.8091 4.9791 4.9791 5.0250 5.0250 5.0423 5.0423 5.0901 5.0901 5.1408 5.1408 5.5516 5.5516 5.6385 5.6385 5.6776 5.6776 5.9452 5.9452 6.4790 6.4790 6.5544 6.5544 6.5815 6.5815 6.8364 6.8364 7.4912 7.4912 9.4283 9.4283 10.0235 10.0235 10.2254 10.2254 11.6224 11.6224 11.6929 11.6929 k = 0.2500 0.1770 0.8652 ( 5576 PWs) bands (ev): -7.3351 -7.3351 -6.4076 -6.4076 -6.3871 -6.3871 -6.3788 -6.3788 -2.2895 -2.2895 0.7673 0.7673 0.9626 0.9626 1.0154 1.0154 2.6525 2.6525 2.7121 2.7121 2.9474 2.9474 3.0685 3.0685 3.1616 3.1616 3.2447 3.2447 3.2652 3.2652 3.2759 3.2759 4.7875 4.7875 4.8072 4.8072 4.9793 4.9793 5.0264 5.0264 5.0414 5.0414 5.0893 5.0893 5.1408 5.1408 5.5541 5.5541 5.6499 5.6499 5.6658 5.6658 5.9415 5.9415 6.4908 6.4908 6.5440 6.5440 6.5785 6.5785 6.8364 6.8364 7.4939 7.4939 9.4278 9.4278 10.0401 10.0401 10.2116 10.2116 11.6238 11.6238 11.6870 11.6870 Writing output data file Cu3SbS4.save init_run : 4.41s CPU 14.38s WALL ( 1 calls) electrons : 1450.42s CPU 1466.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.22s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 1450.39s CPU 1465.78s WALL ( 1 calls) v_of_rho : 0.04s CPU 1.04s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.02s CPU 0.63s WALL ( 1 calls) newd : 0.53s CPU 0.84s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.22s WALL ( 286 calls) cegterg : 1360.11s CPU 1370.62s WALL ( 611 calls) Called by sum_band: Called by *egterg: h_psi : 668.36s CPU 677.41s WALL ( 10080 calls) s_psi : 83.16s CPU 83.61s WALL ( 10080 calls) g_psi : 1.01s CPU 1.04s WALL ( 9183 calls) cdiaghg : 482.92s CPU 481.40s WALL ( 9469 calls) cegterg:over : 93.50s CPU 91.22s WALL ( 9183 calls) cegterg:upda : 28.06s CPU 30.42s WALL ( 9183 calls) cegterg:last : 21.77s CPU 22.27s WALL ( 1603 calls) Called by h_psi: h_psi:vloc : 520.36s CPU 526.46s WALL ( 10080 calls) h_psi:vnl : 147.56s CPU 149.91s WALL ( 10080 calls) add_vuspsi : 61.90s CPU 65.36s WALL ( 10080 calls) General routines calbec : 85.58s CPU 84.41s WALL ( 10080 calls) fft : 0.16s CPU 1.12s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 493.98s CPU 498.02s WALL ( 1428884 calls) interpolate : 0.01s CPU 0.07s WALL ( 4 calls) davcio : 0.08s CPU 3.41s WALL ( 572 calls) Parallel routines fft_scatter : 282.41s CPU 282.40s WALL ( 1428907 calls) PWSCF : 25m25.63s CPU 28m12.36s WALL This run was terminated on: 8:39:42 18Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=