Program PWSCF v.5.1.1 starts on 8Jun2016 at 7:58:21 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: ./AlAgTe2.save/ 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 56 56 15 1366 1366 203 Max 57 57 16 1369 1369 206 Sum 2723 2723 767 65631 65631 9853 bravais-lattice index = 14 lattice parameter (alat) = 13.9900 a.u. unit-cell volume = 1582.2704 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.989976 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.638371 celldm(5)= -0.638371 celldm(6)= 0.276742 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.276742 0.960944 0.000000 ) a(3) = ( -0.638371 -0.480472 0.601356 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.287990 0.831454 ) b(2) = ( 0.000000 1.040643 0.831454 ) b(3) = ( 0.000000 0.000000 1.662909 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd 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 1237 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 Te 6.00 127.60000 Te( 1.00) Al 3.00 26.98150 Al( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.1383711 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4804721 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3006779 ) 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= 251 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 2) = ( 0.0000000 0.0000000 0.0230960), wk = 0.0039841 k( 3) = ( 0.0000000 0.0000000 0.0461919), wk = 0.0039841 k( 4) = ( 0.0000000 0.0000000 0.0692879), wk = 0.0039841 k( 5) = ( 0.0000000 0.0000000 0.0923838), wk = 0.0039841 k( 6) = ( 0.0000000 0.0000000 0.1154798), wk = 0.0039841 k( 7) = ( 0.0000000 0.0000000 0.1385757), wk = 0.0039841 k( 8) = ( 0.0000000 0.0000000 0.1616717), wk = 0.0039841 k( 9) = ( 0.0000000 0.0000000 0.1847676), wk = 0.0039841 k( 10) = ( 0.0000000 0.0000000 0.2078636), wk = 0.0039841 k( 11) = ( 0.0000000 0.0000000 0.2309596), wk = 0.0039841 k( 12) = ( 0.0000000 0.0000000 0.2540555), wk = 0.0039841 k( 13) = ( 0.0000000 0.0000000 0.2771515), wk = 0.0039841 k( 14) = ( 0.0000000 0.0000000 0.3002474), wk = 0.0039841 k( 15) = ( 0.0000000 0.0000000 0.3233434), wk = 0.0039841 k( 16) = ( 0.0000000 0.0000000 0.3464393), wk = 0.0039841 k( 17) = ( 0.0000000 0.0000000 0.3695353), wk = 0.0039841 k( 18) = ( 0.0000000 0.0000000 0.3926312), wk = 0.0039841 k( 19) = ( 0.0000000 0.0000000 0.4157272), wk = 0.0039841 k( 20) = ( 0.0000000 0.0000000 0.4388232), wk = 0.0039841 k( 21) = ( 0.0000000 0.0000000 0.4619191), wk = 0.0039841 k( 22) = ( 0.0000000 0.0000000 0.4850151), wk = 0.0039841 k( 23) = ( 0.0000000 0.0000000 0.5081110), wk = 0.0039841 k( 24) = ( 0.0000000 0.0000000 0.5312070), wk = 0.0039841 k( 25) = ( 0.0000000 0.0000000 0.5543029), wk = 0.0039841 k( 26) = ( 0.0000000 0.0000000 0.5773989), wk = 0.0039841 k( 27) = ( 0.0000000 0.0000000 0.6004948), wk = 0.0039841 k( 28) = ( 0.0000000 0.0000000 0.6235908), wk = 0.0039841 k( 29) = ( 0.0000000 0.0000000 0.6466867), wk = 0.0039841 k( 30) = ( 0.0000000 0.0000000 0.6697827), wk = 0.0039841 k( 31) = ( 0.0000000 0.0000000 0.6928787), wk = 0.0039841 k( 32) = ( 0.0000000 0.0000000 0.7159746), wk = 0.0039841 k( 33) = ( 0.0000000 0.0000000 0.7390706), wk = 0.0039841 k( 34) = ( 0.0000000 0.0000000 0.7621665), wk = 0.0039841 k( 35) = ( 0.0000000 0.0000000 0.7852625), wk = 0.0039841 k( 36) = ( 0.0000000 0.0000000 0.8083584), wk = 0.0039841 k( 37) = ( 0.0000000 0.0000000 0.8314544), wk = 0.0039841 k( 38) = ( 0.0000000 0.0000000 0.8314544), wk = 0.0039841 k( 39) = ( -0.0141622 0.0188163 0.8314544), wk = 0.0039841 k( 40) = ( -0.0283244 0.0376327 0.8314544), wk = 0.0039841 k( 41) = ( -0.0424865 0.0564490 0.8314544), wk = 0.0039841 k( 42) = ( -0.0566487 0.0752653 0.8314544), wk = 0.0039841 k( 43) = ( -0.0708109 0.0940817 0.8314544), wk = 0.0039841 k( 44) = ( -0.0849730 0.1128980 0.8314544), wk = 0.0039841 k( 45) = ( -0.0991352 0.1317143 0.8314544), wk = 0.0039841 k( 46) = ( -0.1132974 0.1505307 0.8314544), wk = 0.0039841 k( 47) = ( -0.1274596 0.1693470 0.8314544), wk = 0.0039841 k( 48) = ( -0.1416217 0.1881633 0.8314544), wk = 0.0039841 k( 49) = ( -0.1416217 0.1881633 0.8314544), wk = 0.0039841 k( 50) = ( -0.1515767 0.2013898 0.8149002), wk = 0.0039841 k( 51) = ( -0.1615316 0.2146163 0.7983460), wk = 0.0039841 k( 52) = ( -0.1714866 0.2278428 0.7817919), wk = 0.0039841 k( 53) = ( -0.1814416 0.2410692 0.7652377), wk = 0.0039841 k( 54) = ( -0.1913965 0.2542957 0.7486835), wk = 0.0039841 k( 55) = ( -0.2013515 0.2675222 0.7321293), wk = 0.0039841 k( 56) = ( -0.2113064 0.2807487 0.7155752), wk = 0.0039841 k( 57) = ( -0.2212614 0.2939751 0.6990210), wk = 0.0039841 k( 58) = ( -0.2312163 0.3072016 0.6824668), wk = 0.0039841 k( 59) = ( -0.2411713 0.3204281 0.6659126), wk = 0.0039841 k( 60) = ( -0.2511262 0.3336546 0.6493584), wk = 0.0039841 k( 61) = ( -0.2610812 0.3468811 0.6328043), wk = 0.0039841 k( 62) = ( -0.2710361 0.3601075 0.6162501), wk = 0.0039841 k( 63) = ( -0.2809911 0.3733340 0.5996959), wk = 0.0039841 k( 64) = ( -0.2909460 0.3865605 0.5831417), wk = 0.0039841 k( 65) = ( -0.3009010 0.3997870 0.5665876), wk = 0.0039841 k( 66) = ( -0.3108559 0.4130134 0.5500334), wk = 0.0039841 k( 67) = ( -0.3208109 0.4262399 0.5334792), wk = 0.0039841 k( 68) = ( -0.3208109 0.4262399 0.5334792), wk = 0.0039841 k( 69) = ( -0.3110893 0.4133235 0.5173132), wk = 0.0039841 k( 70) = ( -0.3013678 0.4004072 0.5011471), wk = 0.0039841 k( 71) = ( -0.2916462 0.3874908 0.4849811), wk = 0.0039841 k( 72) = ( -0.2819247 0.3745745 0.4688151), wk = 0.0039841 k( 73) = ( -0.2722032 0.3616581 0.4526490), wk = 0.0039841 k( 74) = ( -0.2624816 0.3487417 0.4364830), wk = 0.0039841 k( 75) = ( -0.2527601 0.3358254 0.4203170), wk = 0.0039841 k( 76) = ( -0.2430385 0.3229090 0.4041509), wk = 0.0039841 k( 77) = ( -0.2333170 0.3099927 0.3879849), wk = 0.0039841 k( 78) = ( -0.2235955 0.2970763 0.3718189), wk = 0.0039841 k( 79) = ( -0.2138739 0.2841599 0.3556528), wk = 0.0039841 k( 80) = ( -0.2041524 0.2712436 0.3394868), wk = 0.0039841 k( 81) = ( -0.1944308 0.2583272 0.3233207), wk = 0.0039841 k( 82) = ( -0.1847093 0.2454109 0.3071547), wk = 0.0039841 k( 83) = ( -0.1749877 0.2324945 0.2909887), wk = 0.0039841 k( 84) = ( -0.1652662 0.2195781 0.2748226), wk = 0.0039841 k( 85) = ( -0.1555447 0.2066618 0.2586566), wk = 0.0039841 k( 86) = ( -0.1458231 0.1937454 0.2424905), wk = 0.0039841 k( 87) = ( -0.1361016 0.1808290 0.2263245), wk = 0.0039841 k( 88) = ( -0.1263800 0.1679127 0.2101585), wk = 0.0039841 k( 89) = ( -0.1166585 0.1549963 0.1939924), wk = 0.0039841 k( 90) = ( -0.1069370 0.1420800 0.1778264), wk = 0.0039841 k( 91) = ( -0.0972154 0.1291636 0.1616604), wk = 0.0039841 k( 92) = ( -0.0874939 0.1162472 0.1454943), wk = 0.0039841 k( 93) = ( -0.0777723 0.1033309 0.1293283), wk = 0.0039841 k( 94) = ( -0.0680508 0.0904145 0.1131623), wk = 0.0039841 k( 95) = ( -0.0583292 0.0774982 0.0969962), wk = 0.0039841 k( 96) = ( -0.0486077 0.0645818 0.0808302), wk = 0.0039841 k( 97) = ( -0.0388862 0.0516654 0.0646642), wk = 0.0039841 k( 98) = ( -0.0291646 0.0387491 0.0484981), wk = 0.0039841 k( 99) = ( -0.0194431 0.0258327 0.0323321), wk = 0.0039841 k( 100) = ( -0.0097215 0.0129164 0.0161660), wk = 0.0039841 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 103) = ( 0.0185185 0.0139380 0.0000000), wk = 0.0039841 k( 104) = ( 0.0370370 0.0278761 0.0000000), wk = 0.0039841 k( 105) = ( 0.0555556 0.0418141 0.0000000), wk = 0.0039841 k( 106) = ( 0.0740741 0.0557521 0.0000000), wk = 0.0039841 k( 107) = ( 0.0925926 0.0696901 -0.0000000), wk = 0.0039841 k( 108) = ( 0.1111111 0.0836281 0.0000000), wk = 0.0039841 k( 109) = ( 0.1296296 0.0975662 0.0000000), wk = 0.0039841 k( 110) = ( 0.1481482 0.1115042 0.0000000), wk = 0.0039841 k( 111) = ( 0.1666667 0.1254422 0.0000000), wk = 0.0039841 k( 112) = ( 0.1851852 0.1393802 0.0000000), wk = 0.0039841 k( 113) = ( 0.2037037 0.1533183 0.0000000), wk = 0.0039841 k( 114) = ( 0.2222222 0.1672563 0.0000000), wk = 0.0039841 k( 115) = ( 0.2407407 0.1811943 0.0000000), wk = 0.0039841 k( 116) = ( 0.2592593 0.1951323 0.0000000), wk = 0.0039841 k( 117) = ( 0.2777778 0.2090704 0.0000000), wk = 0.0039841 k( 118) = ( 0.2962963 0.2230084 0.0000000), wk = 0.0039841 k( 119) = ( 0.3148148 0.2369464 0.0000000), wk = 0.0039841 k( 120) = ( 0.3333333 0.2508844 0.0000000), wk = 0.0039841 k( 121) = ( 0.3518519 0.2648225 0.0000000), wk = 0.0039841 k( 122) = ( 0.3703704 0.2787605 0.0000000), wk = 0.0039841 k( 123) = ( 0.3888889 0.2926985 0.0000000), wk = 0.0039841 k( 124) = ( 0.4074074 0.3066365 0.0000000), wk = 0.0039841 k( 125) = ( 0.4259259 0.3205746 0.0000000), wk = 0.0039841 k( 126) = ( 0.4444444 0.3345126 0.0000000), wk = 0.0039841 k( 127) = ( 0.4629630 0.3484506 0.0000000), wk = 0.0039841 k( 128) = ( 0.4814815 0.3623886 0.0000000), wk = 0.0039841 k( 129) = ( 0.5000000 0.3763267 0.0000000), wk = 0.0039841 k( 130) = ( 0.5000000 0.3763267 0.0000000), wk = 0.0039841 k( 131) = ( 0.4900450 0.3895531 0.0165542), wk = 0.0039841 k( 132) = ( 0.4800901 0.4027796 0.0331083), wk = 0.0039841 k( 133) = ( 0.4701352 0.4160061 0.0496625), wk = 0.0039841 k( 134) = ( 0.4601802 0.4292326 0.0662167), wk = 0.0039841 k( 135) = ( 0.4502252 0.4424590 0.0827709), wk = 0.0039841 k( 136) = ( 0.4402703 0.4556855 0.0993251), wk = 0.0039841 k( 137) = ( 0.4303153 0.4689120 0.1158792), wk = 0.0039841 k( 138) = ( 0.4203604 0.4821385 0.1324334), wk = 0.0039841 k( 139) = ( 0.4104054 0.4953649 0.1489876), wk = 0.0039841 k( 140) = ( 0.4004505 0.5085914 0.1655418), wk = 0.0039841 k( 141) = ( 0.3904955 0.5218179 0.1820959), wk = 0.0039841 k( 142) = ( 0.3805406 0.5350444 0.1986501), wk = 0.0039841 k( 143) = ( 0.3705856 0.5482709 0.2152043), wk = 0.0039841 k( 144) = ( 0.3606307 0.5614973 0.2317585), wk = 0.0039841 k( 145) = ( 0.3506757 0.5747238 0.2483126), wk = 0.0039841 k( 146) = ( 0.3407208 0.5879503 0.2648668), wk = 0.0039841 k( 147) = ( 0.3307658 0.6011768 0.2814210), wk = 0.0039841 k( 148) = ( 0.3208109 0.6144032 0.2979752), wk = 0.0039841 k( 149) = ( 0.3208109 0.6144032 0.2979752), wk = 0.0039841 k( 150) = ( 0.3007602 0.6085231 0.3053347), wk = 0.0039841 k( 151) = ( 0.2807095 0.6026430 0.3126942), wk = 0.0039841 k( 152) = ( 0.2606588 0.5967629 0.3200537), wk = 0.0039841 k( 153) = ( 0.2406082 0.5908828 0.3274132), wk = 0.0039841 k( 154) = ( 0.2205575 0.5850027 0.3347727), wk = 0.0039841 k( 155) = ( 0.2005068 0.5791226 0.3421322), wk = 0.0039841 k( 156) = ( 0.1804561 0.5732425 0.3494917), wk = 0.0039841 k( 157) = ( 0.1604054 0.5673624 0.3568512), wk = 0.0039841 k( 158) = ( 0.1403548 0.5614823 0.3642107), wk = 0.0039841 k( 159) = ( 0.1203041 0.5556022 0.3715702), wk = 0.0039841 k( 160) = ( 0.1002534 0.5497221 0.3789297), wk = 0.0039841 k( 161) = ( 0.0802027 0.5438420 0.3862892), wk = 0.0039841 k( 162) = ( 0.0601520 0.5379619 0.3936487), wk = 0.0039841 k( 163) = ( 0.0401014 0.5320818 0.4010082), wk = 0.0039841 k( 164) = ( 0.0200507 0.5262017 0.4083677), wk = 0.0039841 k( 165) = ( 0.0000000 0.5203216 0.4157272), wk = 0.0039841 k( 166) = ( 0.0000000 0.5203216 0.4157272), wk = 0.0039841 k( 167) = ( 0.0100000 0.5070352 0.4323563), wk = 0.0039841 k( 168) = ( 0.0200000 0.4937489 0.4489854), wk = 0.0039841 k( 169) = ( 0.0300000 0.4804626 0.4656145), wk = 0.0039841 k( 170) = ( 0.0400000 0.4671763 0.4822435), wk = 0.0039841 k( 171) = ( 0.0500000 0.4538899 0.4988726), wk = 0.0039841 k( 172) = ( 0.0600000 0.4406036 0.5155017), wk = 0.0039841 k( 173) = ( 0.0700000 0.4273173 0.5321308), wk = 0.0039841 k( 174) = ( 0.0800000 0.4140309 0.5487599), wk = 0.0039841 k( 175) = ( 0.0900000 0.4007446 0.5653890), wk = 0.0039841 k( 176) = ( 0.1000000 0.3874583 0.5820181), wk = 0.0039841 k( 177) = ( 0.1100000 0.3741719 0.5986472), wk = 0.0039841 k( 178) = ( 0.1200000 0.3608856 0.6152762), wk = 0.0039841 k( 179) = ( 0.1300000 0.3475993 0.6319053), wk = 0.0039841 k( 180) = ( 0.1400000 0.3343130 0.6485344), wk = 0.0039841 k( 181) = ( 0.1500000 0.3210266 0.6651635), wk = 0.0039841 k( 182) = ( 0.1600000 0.3077403 0.6817926), wk = 0.0039841 k( 183) = ( 0.1700000 0.2944540 0.6984217), wk = 0.0039841 k( 184) = ( 0.1800000 0.2811676 0.7150508), wk = 0.0039841 k( 185) = ( 0.1900000 0.2678813 0.7316799), wk = 0.0039841 k( 186) = ( 0.2000000 0.2545950 0.7483089), wk = 0.0039841 k( 187) = ( 0.2100000 0.2413086 0.7649380), wk = 0.0039841 k( 188) = ( 0.2200000 0.2280223 0.7815671), wk = 0.0039841 k( 189) = ( 0.2300000 0.2147360 0.7981962), wk = 0.0039841 k( 190) = ( 0.2400000 0.2014497 0.8148253), wk = 0.0039841 k( 191) = ( 0.2500000 0.1881633 0.8314544), wk = 0.0039841 k( 192) = ( 0.2500000 0.1881633 0.8314544), wk = 0.0039841 k( 193) = ( 0.2647059 0.1992318 0.8176012), wk = 0.0039841 k( 194) = ( 0.2794118 0.2103002 0.8037480), wk = 0.0039841 k( 195) = ( 0.2941177 0.2213686 0.7898949), wk = 0.0039841 k( 196) = ( 0.3088235 0.2324371 0.7760417), wk = 0.0039841 k( 197) = ( 0.3235294 0.2435055 0.7621885), wk = 0.0039841 k( 198) = ( 0.3382353 0.2545739 0.7483353), wk = 0.0039841 k( 199) = ( 0.3529412 0.2656423 0.7344821), wk = 0.0039841 k( 200) = ( 0.3676471 0.2767108 0.7206289), wk = 0.0039841 k( 201) = ( 0.3823529 0.2877792 0.7067758), wk = 0.0039841 k( 202) = ( 0.3970588 0.2988476 0.6929226), wk = 0.0039841 k( 203) = ( 0.4117647 0.3099161 0.6790694), wk = 0.0039841 k( 204) = ( 0.4264706 0.3209845 0.6652162), wk = 0.0039841 k( 205) = ( 0.4411765 0.3320529 0.6513630), wk = 0.0039841 k( 206) = ( 0.4558823 0.3431214 0.6375099), wk = 0.0039841 k( 207) = ( 0.4705882 0.3541898 0.6236567), wk = 0.0039841 k( 208) = ( 0.4852941 0.3652582 0.6098035), wk = 0.0039841 k( 209) = ( 0.5000000 0.3763267 0.5959503), wk = 0.0039841 k( 210) = ( 0.5000000 0.3763267 0.5959503), wk = 0.0039841 k( 211) = ( 0.5000000 0.3763267 0.5730292), wk = 0.0039841 k( 212) = ( 0.5000000 0.3763267 0.5501080), wk = 0.0039841 k( 213) = ( 0.5000000 0.3763267 0.5271868), wk = 0.0039841 k( 214) = ( 0.5000000 0.3763267 0.5042657), wk = 0.0039841 k( 215) = ( 0.5000000 0.3763267 0.4813445), wk = 0.0039841 k( 216) = ( 0.5000000 0.3763267 0.4584233), wk = 0.0039841 k( 217) = ( 0.5000000 0.3763267 0.4355022), wk = 0.0039841 k( 218) = ( 0.5000000 0.3763267 0.4125810), wk = 0.0039841 k( 219) = ( 0.5000000 0.3763267 0.3896598), wk = 0.0039841 k( 220) = ( 0.5000000 0.3763267 0.3667387), wk = 0.0039841 k( 221) = ( 0.5000000 0.3763267 0.3438175), wk = 0.0039841 k( 222) = ( 0.5000000 0.3763267 0.3208963), wk = 0.0039841 k( 223) = ( 0.5000000 0.3763267 0.2979752), wk = 0.0039841 k( 224) = ( 0.5000000 0.3763267 0.2750540), wk = 0.0039841 k( 225) = ( 0.5000000 0.3763267 0.2521328), wk = 0.0039841 k( 226) = ( 0.5000000 0.3763267 0.2292117), wk = 0.0039841 k( 227) = ( 0.5000000 0.3763267 0.2062905), wk = 0.0039841 k( 228) = ( 0.5000000 0.3763267 0.1833693), wk = 0.0039841 k( 229) = ( 0.5000000 0.3763267 0.1604482), wk = 0.0039841 k( 230) = ( 0.5000000 0.3763267 0.1375270), wk = 0.0039841 k( 231) = ( 0.5000000 0.3763267 0.1146058), wk = 0.0039841 k( 232) = ( 0.5000000 0.3763267 0.0916847), wk = 0.0039841 k( 233) = ( 0.5000000 0.3763267 0.0687635), wk = 0.0039841 k( 234) = ( 0.5000000 0.3763267 0.0458423), wk = 0.0039841 k( 235) = ( 0.5000000 0.3763267 0.0229212), wk = 0.0039841 k( 236) = ( 0.5000000 0.3763267 0.0000000), wk = 0.0039841 k( 237) = ( 0.0000000 0.0000000 0.8314544), wk = 0.0039841 k( 238) = ( 0.0178571 0.0134402 0.8314544), wk = 0.0039841 k( 239) = ( 0.0357143 0.0268805 0.8314544), wk = 0.0039841 k( 240) = ( 0.0535714 0.0403207 0.8314544), wk = 0.0039841 k( 241) = ( 0.0714286 0.0537609 0.8314544), wk = 0.0039841 k( 242) = ( 0.0892857 0.0672012 0.8314544), wk = 0.0039841 k( 243) = ( 0.1071429 0.0806414 0.8314544), wk = 0.0039841 k( 244) = ( 0.1250000 0.0940817 0.8314544), wk = 0.0039841 k( 245) = ( 0.1428571 0.1075219 0.8314544), wk = 0.0039841 k( 246) = ( 0.1607143 0.1209621 0.8314544), wk = 0.0039841 k( 247) = ( 0.1785714 0.1344024 0.8314544), wk = 0.0039841 k( 248) = ( 0.1964286 0.1478426 0.8314544), wk = 0.0039841 k( 249) = ( 0.2142857 0.1612828 0.8314544), wk = 0.0039841 k( 250) = ( 0.2321429 0.1747231 0.8314544), wk = 0.0039841 k( 251) = ( 0.2500000 0.1881633 0.8314544), wk = 0.0039841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0039841 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0039841 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0039841 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0039841 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0039841 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039841 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0039841 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0039841 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0039841 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0039841 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0039841 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039841 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0039841 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0039841 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0039841 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0039841 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0039841 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039841 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0039841 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0039841 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0039841 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0039841 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0039841 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039841 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0039841 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0039841 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0039841 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0039841 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0039841 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039841 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0039841 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0039841 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0039841 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0039841 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0039841 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 39) = ( -0.0141622 0.0141622 0.5000000), wk = 0.0039841 k( 40) = ( -0.0283244 0.0283244 0.5000000), wk = 0.0039841 k( 41) = ( -0.0424865 0.0424865 0.5000000), wk = 0.0039841 k( 42) = ( -0.0566487 0.0566487 0.5000000), wk = 0.0039841 k( 43) = ( -0.0708109 0.0708109 0.5000000), wk = 0.0039841 k( 44) = ( -0.0849730 0.0849731 0.5000000), wk = 0.0039841 k( 45) = ( -0.0991352 0.0991352 0.5000000), wk = 0.0039841 k( 46) = ( -0.1132974 0.1132974 0.5000000), wk = 0.0039841 k( 47) = ( -0.1274596 0.1274596 0.5000000), wk = 0.0039841 k( 48) = ( -0.1416217 0.1416218 0.5000000), wk = 0.0039841 k( 49) = ( -0.1416217 0.1416218 0.5000000), wk = 0.0039841 k( 50) = ( -0.1515767 0.1515767 0.4900451), wk = 0.0039841 k( 51) = ( -0.1615316 0.1615317 0.4800901), wk = 0.0039841 k( 52) = ( -0.1714866 0.1714866 0.4701352), wk = 0.0039841 k( 53) = ( -0.1814416 0.1814416 0.4601802), wk = 0.0039841 k( 54) = ( -0.1913965 0.1913965 0.4502252), wk = 0.0039841 k( 55) = ( -0.2013515 0.2013515 0.4402703), wk = 0.0039841 k( 56) = ( -0.2113064 0.2113064 0.4303153), wk = 0.0039841 k( 57) = ( -0.2212614 0.2212614 0.4203604), wk = 0.0039841 k( 58) = ( -0.2312163 0.2312163 0.4104054), wk = 0.0039841 k( 59) = ( -0.2411713 0.2411713 0.4004505), wk = 0.0039841 k( 60) = ( -0.2511262 0.2511262 0.3904955), wk = 0.0039841 k( 61) = ( -0.2610812 0.2610812 0.3805406), wk = 0.0039841 k( 62) = ( -0.2710361 0.2710361 0.3705856), wk = 0.0039841 k( 63) = ( -0.2809911 0.2809911 0.3606307), wk = 0.0039841 k( 64) = ( -0.2909460 0.2909460 0.3506757), wk = 0.0039841 k( 65) = ( -0.3009010 0.3009010 0.3407208), wk = 0.0039841 k( 66) = ( -0.3108559 0.3108559 0.3307658), wk = 0.0039841 k( 67) = ( -0.3208109 0.3208109 0.3208109), wk = 0.0039841 k( 68) = ( -0.3208109 0.3208109 0.3208109), wk = 0.0039841 k( 69) = ( -0.3110893 0.3110893 0.3110893), wk = 0.0039841 k( 70) = ( -0.3013678 0.3013678 0.3013678), wk = 0.0039841 k( 71) = ( -0.2916462 0.2916463 0.2916462), wk = 0.0039841 k( 72) = ( -0.2819247 0.2819247 0.2819247), wk = 0.0039841 k( 73) = ( -0.2722032 0.2722032 0.2722032), wk = 0.0039841 k( 74) = ( -0.2624816 0.2624816 0.2624816), wk = 0.0039841 k( 75) = ( -0.2527601 0.2527601 0.2527601), wk = 0.0039841 k( 76) = ( -0.2430385 0.2430385 0.2430385), wk = 0.0039841 k( 77) = ( -0.2333170 0.2333170 0.2333170), wk = 0.0039841 k( 78) = ( -0.2235955 0.2235955 0.2235955), wk = 0.0039841 k( 79) = ( -0.2138739 0.2138739 0.2138739), wk = 0.0039841 k( 80) = ( -0.2041524 0.2041524 0.2041524), wk = 0.0039841 k( 81) = ( -0.1944308 0.1944308 0.1944308), wk = 0.0039841 k( 82) = ( -0.1847093 0.1847093 0.1847093), wk = 0.0039841 k( 83) = ( -0.1749877 0.1749878 0.1749877), wk = 0.0039841 k( 84) = ( -0.1652662 0.1652662 0.1652662), wk = 0.0039841 k( 85) = ( -0.1555447 0.1555447 0.1555447), wk = 0.0039841 k( 86) = ( -0.1458231 0.1458231 0.1458231), wk = 0.0039841 k( 87) = ( -0.1361016 0.1361016 0.1361016), wk = 0.0039841 k( 88) = ( -0.1263800 0.1263800 0.1263800), wk = 0.0039841 k( 89) = ( -0.1166585 0.1166585 0.1166585), wk = 0.0039841 k( 90) = ( -0.1069370 0.1069370 0.1069370), wk = 0.0039841 k( 91) = ( -0.0972154 0.0972154 0.0972154), wk = 0.0039841 k( 92) = ( -0.0874939 0.0874939 0.0874939), wk = 0.0039841 k( 93) = ( -0.0777723 0.0777723 0.0777723), wk = 0.0039841 k( 94) = ( -0.0680508 0.0680508 0.0680508), wk = 0.0039841 k( 95) = ( -0.0583292 0.0583292 0.0583292), wk = 0.0039841 k( 96) = ( -0.0486077 0.0486077 0.0486077), wk = 0.0039841 k( 97) = ( -0.0388862 0.0388862 0.0388862), wk = 0.0039841 k( 98) = ( -0.0291646 0.0291646 0.0291646), wk = 0.0039841 k( 99) = ( -0.0194431 0.0194431 0.0194431), wk = 0.0039841 k( 100) = ( -0.0097215 0.0097215 0.0097215), wk = 0.0039841 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 103) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0039841 k( 104) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0039841 k( 105) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0039841 k( 106) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0039841 k( 107) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0039841 k( 108) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0039841 k( 109) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0039841 k( 110) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0039841 k( 111) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0039841 k( 112) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0039841 k( 113) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0039841 k( 114) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0039841 k( 115) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0039841 k( 116) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0039841 k( 117) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0039841 k( 118) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0039841 k( 119) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0039841 k( 120) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0039841 k( 121) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0039841 k( 122) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0039841 k( 123) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0039841 k( 124) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0039841 k( 125) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0039841 k( 126) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0039841 k( 127) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0039841 k( 128) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0039841 k( 129) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039841 k( 130) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039841 k( 131) = ( 0.4900450 0.5099550 -0.4900450), wk = 0.0039841 k( 132) = ( 0.4800901 0.5199099 -0.4800901), wk = 0.0039841 k( 133) = ( 0.4701352 0.5298649 -0.4701351), wk = 0.0039841 k( 134) = ( 0.4601802 0.5398198 -0.4601802), wk = 0.0039841 k( 135) = ( 0.4502252 0.5497748 -0.4502252), wk = 0.0039841 k( 136) = ( 0.4402703 0.5597297 -0.4402703), wk = 0.0039841 k( 137) = ( 0.4303153 0.5696847 -0.4303153), wk = 0.0039841 k( 138) = ( 0.4203604 0.5796396 -0.4203604), wk = 0.0039841 k( 139) = ( 0.4104054 0.5895946 -0.4104054), wk = 0.0039841 k( 140) = ( 0.4004505 0.5995495 -0.4004505), wk = 0.0039841 k( 141) = ( 0.3904955 0.6095045 -0.3904955), wk = 0.0039841 k( 142) = ( 0.3805406 0.6194594 -0.3805406), wk = 0.0039841 k( 143) = ( 0.3705856 0.6294144 -0.3705856), wk = 0.0039841 k( 144) = ( 0.3606307 0.6393693 -0.3606307), wk = 0.0039841 k( 145) = ( 0.3506757 0.6493243 -0.3506757), wk = 0.0039841 k( 146) = ( 0.3407208 0.6592792 -0.3407208), wk = 0.0039841 k( 147) = ( 0.3307658 0.6692342 -0.3307658), wk = 0.0039841 k( 148) = ( 0.3208109 0.6791891 -0.3208109), wk = 0.0039841 k( 149) = ( 0.3208109 0.6791891 -0.3208109), wk = 0.0039841 k( 150) = ( 0.3007602 0.6679898 -0.3007602), wk = 0.0039841 k( 151) = ( 0.2807095 0.6567905 -0.2807095), wk = 0.0039841 k( 152) = ( 0.2606588 0.6455912 -0.2606588), wk = 0.0039841 k( 153) = ( 0.2406082 0.6343918 -0.2406082), wk = 0.0039841 k( 154) = ( 0.2205575 0.6231925 -0.2205575), wk = 0.0039841 k( 155) = ( 0.2005068 0.6119932 -0.2005068), wk = 0.0039841 k( 156) = ( 0.1804561 0.6007939 -0.1804561), wk = 0.0039841 k( 157) = ( 0.1604054 0.5895946 -0.1604054), wk = 0.0039841 k( 158) = ( 0.1403548 0.5783952 -0.1403548), wk = 0.0039841 k( 159) = ( 0.1203041 0.5671959 -0.1203041), wk = 0.0039841 k( 160) = ( 0.1002534 0.5559966 -0.1002534), wk = 0.0039841 k( 161) = ( 0.0802027 0.5447973 -0.0802027), wk = 0.0039841 k( 162) = ( 0.0601520 0.5335980 -0.0601520), wk = 0.0039841 k( 163) = ( 0.0401014 0.5223986 -0.0401014), wk = 0.0039841 k( 164) = ( 0.0200507 0.5111993 -0.0200507), wk = 0.0039841 k( 165) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039841 k( 166) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039841 k( 167) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0039841 k( 168) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0039841 k( 169) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0039841 k( 170) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0039841 k( 171) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0039841 k( 172) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0039841 k( 173) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0039841 k( 174) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0039841 k( 175) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0039841 k( 176) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0039841 k( 177) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0039841 k( 178) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0039841 k( 179) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0039841 k( 180) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0039841 k( 181) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0039841 k( 182) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0039841 k( 183) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0039841 k( 184) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0039841 k( 185) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0039841 k( 186) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0039841 k( 187) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0039841 k( 188) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0039841 k( 189) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0039841 k( 190) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0039841 k( 191) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039841 k( 192) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039841 k( 193) = ( 0.2647059 0.2647059 0.2269634), wk = 0.0039841 k( 194) = ( 0.2794118 0.2794118 0.2039269), wk = 0.0039841 k( 195) = ( 0.2941177 0.2941177 0.1808903), wk = 0.0039841 k( 196) = ( 0.3088235 0.3088235 0.1578537), wk = 0.0039841 k( 197) = ( 0.3235294 0.3235294 0.1348171), wk = 0.0039841 k( 198) = ( 0.3382353 0.3382353 0.1117806), wk = 0.0039841 k( 199) = ( 0.3529412 0.3529412 0.0887440), wk = 0.0039841 k( 200) = ( 0.3676471 0.3676471 0.0657074), wk = 0.0039841 k( 201) = ( 0.3823529 0.3823529 0.0426708), wk = 0.0039841 k( 202) = ( 0.3970588 0.3970588 0.0196343), wk = 0.0039841 k( 203) = ( 0.4117647 0.4117647 -0.0034023), wk = 0.0039841 k( 204) = ( 0.4264706 0.4264706 -0.0264389), wk = 0.0039841 k( 205) = ( 0.4411765 0.4411765 -0.0494755), wk = 0.0039841 k( 206) = ( 0.4558823 0.4558824 -0.0725120), wk = 0.0039841 k( 207) = ( 0.4705882 0.4705882 -0.0955486), wk = 0.0039841 k( 208) = ( 0.4852941 0.4852941 -0.1185852), wk = 0.0039841 k( 209) = ( 0.5000000 0.5000000 -0.1416217), wk = 0.0039841 k( 210) = ( 0.5000000 0.5000000 -0.1416217), wk = 0.0039841 k( 211) = ( 0.5000000 0.5000000 -0.1554055), wk = 0.0039841 k( 212) = ( 0.5000000 0.5000000 -0.1691893), wk = 0.0039841 k( 213) = ( 0.5000000 0.5000000 -0.1829731), wk = 0.0039841 k( 214) = ( 0.5000000 0.5000000 -0.1967569), wk = 0.0039841 k( 215) = ( 0.5000000 0.5000000 -0.2105406), wk = 0.0039841 k( 216) = ( 0.5000000 0.5000000 -0.2243244), wk = 0.0039841 k( 217) = ( 0.5000000 0.5000000 -0.2381082), wk = 0.0039841 k( 218) = ( 0.5000000 0.5000000 -0.2518920), wk = 0.0039841 k( 219) = ( 0.5000000 0.5000000 -0.2656758), wk = 0.0039841 k( 220) = ( 0.5000000 0.5000000 -0.2794595), wk = 0.0039841 k( 221) = ( 0.5000000 0.5000000 -0.2932433), wk = 0.0039841 k( 222) = ( 0.5000000 0.5000000 -0.3070271), wk = 0.0039841 k( 223) = ( 0.5000000 0.5000000 -0.3208109), wk = 0.0039841 k( 224) = ( 0.5000000 0.5000000 -0.3345946), wk = 0.0039841 k( 225) = ( 0.5000000 0.5000000 -0.3483784), wk = 0.0039841 k( 226) = ( 0.5000000 0.5000000 -0.3621622), wk = 0.0039841 k( 227) = ( 0.5000000 0.5000000 -0.3759460), wk = 0.0039841 k( 228) = ( 0.5000000 0.5000000 -0.3897298), wk = 0.0039841 k( 229) = ( 0.5000000 0.5000000 -0.4035135), wk = 0.0039841 k( 230) = ( 0.5000000 0.5000000 -0.4172973), wk = 0.0039841 k( 231) = ( 0.5000000 0.5000000 -0.4310811), wk = 0.0039841 k( 232) = ( 0.5000000 0.5000000 -0.4448649), wk = 0.0039841 k( 233) = ( 0.5000000 0.5000000 -0.4586487), wk = 0.0039841 k( 234) = ( 0.5000000 0.5000000 -0.4724324), wk = 0.0039841 k( 235) = ( 0.5000000 0.5000000 -0.4862162), wk = 0.0039841 k( 236) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039841 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 238) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0039841 k( 239) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0039841 k( 240) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0039841 k( 241) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0039841 k( 242) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0039841 k( 243) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0039841 k( 244) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0039841 k( 245) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0039841 k( 246) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0039841 k( 247) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0039841 k( 248) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0039841 k( 249) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0039841 k( 250) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0039841 k( 251) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039841 Dense grid: 65631 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 364, 62) NL pseudopotentials 0.56 Mb ( 182, 200) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1367) G-vector shells 0.00 Mb ( 654) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.38 Mb ( 364, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.38 Mb ( 200, 2, 62) The potential is recalculated from file : ./AlAgTe2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.7 secs Computing kpt #: 2 total cpu time spent up to now is 47.6 secs Computing kpt #: 3 total cpu time spent up to now is 51.4 secs Computing kpt #: 4 total cpu time spent up to now is 55.3 secs Computing kpt #: 5 total cpu time spent up to now is 59.2 secs Computing kpt #: 6 total cpu time spent up to now is 62.7 secs Computing kpt #: 7 total cpu time spent up to now is 66.2 secs Computing kpt #: 8 total cpu time spent up to now is 70.0 secs Computing kpt #: 9 total cpu time spent up to now is 74.0 secs Computing kpt #: 10 total cpu time spent up to now is 78.0 secs Computing kpt #: 11 total cpu time spent up to now is 81.8 secs Computing kpt #: 12 total cpu time spent up to now is 86.1 secs Computing kpt #: 13 total cpu time spent up to now is 90.4 secs Computing kpt #: 14 total cpu time spent up to now is 94.3 secs Computing kpt #: 15 total cpu time spent up to now is 98.2 secs Computing kpt #: 16 total cpu time spent up to now is 102.1 secs Computing kpt #: 17 total cpu time spent up to now is 106.0 secs Computing kpt #: 18 total cpu time spent up to now is 110.0 secs Computing kpt #: 19 total cpu time spent up to now is 114.2 secs Computing kpt #: 20 total cpu time spent up to now is 118.4 secs Computing kpt #: 21 total cpu time spent up to now is 122.6 secs Computing kpt #: 22 total cpu time spent up to now is 127.1 secs Computing kpt #: 23 total cpu time spent up to now is 132.0 secs Computing kpt #: 24 total cpu time spent up to now is 136.4 secs Computing kpt #: 25 total cpu time spent up to now is 140.5 secs Computing kpt #: 26 total cpu time spent up to now is 145.3 secs Computing kpt #: 27 total cpu time spent up to now is 149.6 secs Computing kpt #: 28 total cpu time spent up to now is 153.8 secs Computing kpt #: 29 total cpu time spent up to now is 157.9 secs Computing kpt #: 30 total cpu time spent up to now is 162.1 secs Computing kpt #: 31 total cpu time spent up to now is 166.7 secs Computing kpt #: 32 total cpu time spent up to now is 171.1 secs Computing kpt #: 33 total cpu time spent up to now is 175.4 secs Computing kpt #: 34 total cpu time spent up to now is 180.1 secs Computing kpt #: 35 total cpu time spent up to now is 184.3 secs Computing kpt #: 36 total cpu time spent up to now is 188.7 secs Computing kpt #: 37 total cpu time spent up to now is 193.1 secs Computing kpt #: 38 total cpu time spent up to now is 197.1 secs Computing kpt #: 39 total cpu time spent up to now is 201.2 secs Computing kpt #: 40 total cpu time spent up to now is 205.3 secs Computing kpt #: 41 total cpu time spent up to now is 209.4 secs Computing kpt #: 42 total cpu time spent up to now is 213.3 secs Computing kpt #: 43 total cpu time spent up to now is 217.3 secs Computing kpt #: 44 total cpu time spent up to now is 221.2 secs Computing kpt #: 45 total cpu time spent up to now is 225.2 secs Computing kpt #: 46 total cpu time spent up to now is 229.2 secs Computing kpt #: 47 total cpu time spent up to now is 233.4 secs Computing kpt #: 48 total cpu time spent up to now is 237.4 secs Computing kpt #: 49 total cpu time spent up to now is 242.5 secs Computing kpt #: 50 total cpu time spent up to now is 246.5 secs Computing kpt #: 51 total cpu time spent up to now is 250.8 secs Computing kpt #: 52 total cpu time spent up to now is 254.9 secs Computing kpt #: 53 total cpu time spent up to now is 259.1 secs Computing kpt #: 54 total cpu time spent up to now is 263.2 secs Computing kpt #: 55 total cpu time spent up to now is 267.3 secs Computing kpt #: 56 total cpu time spent up to now is 271.7 secs Computing kpt #: 57 total cpu time spent up to now is 275.7 secs Computing kpt #: 58 total cpu time spent up to now is 279.6 secs Computing kpt #: 59 total cpu time spent up to now is 283.6 secs Computing kpt #: 60 total cpu time spent up to now is 287.7 secs Computing kpt #: 61 total cpu time spent up to now is 291.8 secs Computing kpt #: 62 total cpu time spent up to now is 295.8 secs Computing kpt #: 63 total cpu time spent up to now is 299.9 secs Computing kpt #: 64 total cpu time spent up to now is 304.0 secs Computing kpt #: 65 total cpu time spent up to now is 308.0 secs Computing kpt #: 66 total cpu time spent up to now is 312.2 secs Computing kpt #: 67 total cpu time spent up to now is 317.5 secs Computing kpt #: 68 total cpu time spent up to now is 323.8 secs Computing kpt #: 69 total cpu time spent up to now is 328.4 secs Computing kpt #: 70 total cpu time spent up to now is 332.7 secs Computing kpt #: 71 total cpu time spent up to now is 337.2 secs Computing kpt #: 72 total cpu time spent up to now is 341.7 secs Computing kpt #: 73 total cpu time spent up to now is 347.0 secs Computing kpt #: 74 total cpu time spent up to now is 351.2 secs Computing kpt #: 75 total cpu time spent up to now is 355.5 secs Computing kpt #: 76 total cpu time spent up to now is 359.5 secs Computing kpt #: 77 total cpu time spent up to now is 363.5 secs Computing kpt #: 78 total cpu time spent up to now is 367.6 secs Computing kpt #: 79 total cpu time spent up to now is 373.4 secs Computing kpt #: 80 total cpu time spent up to now is 377.2 secs Computing kpt #: 81 total cpu time spent up to now is 381.6 secs Computing kpt #: 82 total cpu time spent up to now is 385.7 secs Computing kpt #: 83 total cpu time spent up to now is 389.8 secs Computing kpt #: 84 total cpu time spent up to now is 393.9 secs Computing kpt #: 85 total cpu time spent up to now is 397.9 secs Computing kpt #: 86 total cpu time spent up to now is 401.9 secs Computing kpt #: 87 total cpu time spent up to now is 405.8 secs Computing kpt #: 88 total cpu time spent up to now is 409.8 secs Computing kpt #: 89 total cpu time spent up to now is 413.7 secs Computing kpt #: 90 total cpu time spent up to now is 417.6 secs Computing kpt #: 91 total cpu time spent up to now is 421.5 secs Computing kpt #: 92 total cpu time spent up to now is 425.3 secs Computing kpt #: 93 total cpu time spent up to now is 429.2 secs Computing kpt #: 94 total cpu time spent up to now is 433.3 secs Computing kpt #: 95 total cpu time spent up to now is 437.2 secs Computing kpt #: 96 total cpu time spent up to now is 441.0 secs Computing kpt #: 97 total cpu time spent up to now is 445.1 secs Computing kpt #: 98 total cpu time spent up to now is 448.9 secs Computing kpt #: 99 total cpu time spent up to now is 452.7 secs Computing kpt #: 100 total cpu time spent up to now is 456.1 secs Computing kpt #: 101 total cpu time spent up to now is 459.5 secs Computing kpt #: 102 total cpu time spent up to now is 463.3 secs Computing kpt #: 103 total cpu time spent up to now is 467.1 secs Computing kpt #: 104 total cpu time spent up to now is 470.8 secs Computing kpt #: 105 total cpu time spent up to now is 474.8 secs Computing kpt #: 106 total cpu time spent up to now is 478.7 secs Computing kpt #: 107 total cpu time spent up to now is 482.7 secs Computing kpt #: 108 total cpu time spent up to now is 486.8 secs Computing kpt #: 109 total cpu time spent up to now is 490.8 secs Computing kpt #: 110 total cpu time spent up to now is 494.9 secs Computing kpt #: 111 total cpu time spent up to now is 499.0 secs Computing kpt #: 112 total cpu time spent up to now is 503.0 secs Computing kpt #: 113 total cpu time spent up to now is 507.1 secs Computing kpt #: 114 total cpu time spent up to now is 511.0 secs Computing kpt #: 115 total cpu time spent up to now is 514.9 secs Computing kpt #: 116 total cpu time spent up to now is 518.7 secs Computing kpt #: 117 total cpu time spent up to now is 523.2 secs Computing kpt #: 118 total cpu time spent up to now is 527.2 secs Computing kpt #: 119 total cpu time spent up to now is 531.0 secs Computing kpt #: 120 total cpu time spent up to now is 535.1 secs Computing kpt #: 121 total cpu time spent up to now is 539.0 secs Computing kpt #: 122 total cpu time spent up to now is 542.9 secs Computing kpt #: 123 total cpu time spent up to now is 546.8 secs Computing kpt #: 124 total cpu time spent up to now is 550.6 secs Computing kpt #: 125 total cpu time spent up to now is 554.5 secs Computing kpt #: 126 total cpu time spent up to now is 558.4 secs Computing kpt #: 127 total cpu time spent up to now is 562.2 secs Computing kpt #: 128 total cpu time spent up to now is 566.2 secs Computing kpt #: 129 total cpu time spent up to now is 571.0 secs Computing kpt #: 130 total cpu time spent up to now is 574.9 secs Computing kpt #: 131 total cpu time spent up to now is 578.9 secs Computing kpt #: 132 total cpu time spent up to now is 583.5 secs Computing kpt #: 133 total cpu time spent up to now is 587.5 secs Computing kpt #: 134 total cpu time spent up to now is 591.5 secs Computing kpt #: 135 total cpu time spent up to now is 595.6 secs Computing kpt #: 136 total cpu time spent up to now is 599.7 secs Computing kpt #: 137 total cpu time spent up to now is 604.1 secs Computing kpt #: 138 total cpu time spent up to now is 608.0 secs Computing kpt #: 139 total cpu time spent up to now is 612.2 secs Computing kpt #: 140 total cpu time spent up to now is 617.3 secs Computing kpt #: 141 total cpu time spent up to now is 623.0 secs Computing kpt #: 142 total cpu time spent up to now is 627.5 secs Computing kpt #: 143 total cpu time spent up to now is 631.7 secs Computing kpt #: 144 total cpu time spent up to now is 635.9 secs Computing kpt #: 145 total cpu time spent up to now is 640.2 secs Computing kpt #: 146 total cpu time spent up to now is 644.5 secs Computing kpt #: 147 total cpu time spent up to now is 649.3 secs Computing kpt #: 148 total cpu time spent up to now is 654.2 secs Computing kpt #: 149 total cpu time spent up to now is 658.8 secs Computing kpt #: 150 total cpu time spent up to now is 663.1 secs Computing kpt #: 151 total cpu time spent up to now is 667.3 secs Computing kpt #: 152 total cpu time spent up to now is 671.6 secs Computing kpt #: 153 total cpu time spent up to now is 675.7 secs Computing kpt #: 154 total cpu time spent up to now is 679.8 secs Computing kpt #: 155 total cpu time spent up to now is 684.1 secs Computing kpt #: 156 total cpu time spent up to now is 688.1 secs Computing kpt #: 157 total cpu time spent up to now is 692.7 secs Computing kpt #: 158 total cpu time spent up to now is 696.9 secs Computing kpt #: 159 total cpu time spent up to now is 701.1 secs Computing kpt #: 160 total cpu time spent up to now is 705.4 secs Computing kpt #: 161 total cpu time spent up to now is 709.8 secs Computing kpt #: 162 total cpu time spent up to now is 714.1 secs Computing kpt #: 163 total cpu time spent up to now is 718.2 secs Computing kpt #: 164 total cpu time spent up to now is 722.3 secs Computing kpt #: 165 total cpu time spent up to now is 726.7 secs Computing kpt #: 166 total cpu time spent up to now is 730.9 secs Computing kpt #: 167 total cpu time spent up to now is 735.1 secs Computing kpt #: 168 total cpu time spent up to now is 739.5 secs Computing kpt #: 169 total cpu time spent up to now is 743.9 secs Computing kpt #: 170 total cpu time spent up to now is 748.1 secs Computing kpt #: 171 total cpu time spent up to now is 752.5 secs Computing kpt #: 172 total cpu time spent up to now is 756.6 secs Computing kpt #: 173 total cpu time spent up to now is 760.7 secs Computing kpt #: 174 total cpu time spent up to now is 764.8 secs Computing kpt #: 175 total cpu time spent up to now is 768.9 secs Computing kpt #: 176 total cpu time spent up to now is 773.1 secs Computing kpt #: 177 total cpu time spent up to now is 777.1 secs Computing kpt #: 178 total cpu time spent up to now is 781.2 secs Computing kpt #: 179 total cpu time spent up to now is 785.2 secs Computing kpt #: 180 total cpu time spent up to now is 789.2 secs Computing kpt #: 181 total cpu time spent up to now is 793.4 secs Computing kpt #: 182 total cpu time spent up to now is 797.4 secs Computing kpt #: 183 total cpu time spent up to now is 801.3 secs Computing kpt #: 184 total cpu time spent up to now is 805.2 secs Computing kpt #: 185 total cpu time spent up to now is 809.1 secs Computing kpt #: 186 total cpu time spent up to now is 812.9 secs Computing kpt #: 187 total cpu time spent up to now is 816.9 secs Computing kpt #: 188 total cpu time spent up to now is 820.8 secs Computing kpt #: 189 total cpu time spent up to now is 824.6 secs Computing kpt #: 190 total cpu time spent up to now is 828.8 secs Computing kpt #: 191 total cpu time spent up to now is 832.9 secs Computing kpt #: 192 total cpu time spent up to now is 837.2 secs Computing kpt #: 193 total cpu time spent up to now is 841.3 secs Computing kpt #: 194 total cpu time spent up to now is 845.2 secs Computing kpt #: 195 total cpu time spent up to now is 849.1 secs Computing kpt #: 196 total cpu time spent up to now is 853.0 secs Computing kpt #: 197 total cpu time spent up to now is 856.9 secs Computing kpt #: 198 total cpu time spent up to now is 860.8 secs Computing kpt #: 199 total cpu time spent up to now is 864.9 secs Computing kpt #: 200 total cpu time spent up to now is 868.8 secs Computing kpt #: 201 total cpu time spent up to now is 872.6 secs Computing kpt #: 202 total cpu time spent up to now is 877.7 secs Computing kpt #: 203 total cpu time spent up to now is 881.6 secs Computing kpt #: 204 total cpu time spent up to now is 885.5 secs Computing kpt #: 205 total cpu time spent up to now is 889.3 secs Computing kpt #: 206 total cpu time spent up to now is 893.2 secs Computing kpt #: 207 total cpu time spent up to now is 897.1 secs Computing kpt #: 208 total cpu time spent up to now is 900.9 secs Computing kpt #: 209 total cpu time spent up to now is 904.8 secs Computing kpt #: 210 total cpu time spent up to now is 908.7 secs Computing kpt #: 211 total cpu time spent up to now is 912.7 secs Computing kpt #: 212 total cpu time spent up to now is 917.8 secs Computing kpt #: 213 total cpu time spent up to now is 923.3 secs Computing kpt #: 214 total cpu time spent up to now is 927.3 secs Computing kpt #: 215 total cpu time spent up to now is 931.2 secs Computing kpt #: 216 total cpu time spent up to now is 935.3 secs Computing kpt #: 217 total cpu time spent up to now is 939.3 secs Computing kpt #: 218 total cpu time spent up to now is 943.3 secs Computing kpt #: 219 total cpu time spent up to now is 947.5 secs Computing kpt #: 220 total cpu time spent up to now is 951.3 secs Computing kpt #: 221 total cpu time spent up to now is 955.4 secs Computing kpt #: 222 total cpu time spent up to now is 959.3 secs Computing kpt #: 223 total cpu time spent up to now is 963.3 secs Computing kpt #: 224 total cpu time spent up to now is 967.2 secs Computing kpt #: 225 total cpu time spent up to now is 971.1 secs Computing kpt #: 226 total cpu time spent up to now is 975.0 secs Computing kpt #: 227 total cpu time spent up to now is 979.0 secs Computing kpt #: 228 total cpu time spent up to now is 983.0 secs Computing kpt #: 229 total cpu time spent up to now is 986.9 secs Computing kpt #: 230 total cpu time spent up to now is 991.5 secs Computing kpt #: 231 total cpu time spent up to now is 995.5 secs Computing kpt #: 232 total cpu time spent up to now is 999.5 secs Computing kpt #: 233 total cpu time spent up to now is 1003.5 secs Computing kpt #: 234 total cpu time spent up to now is 1007.6 secs Computing kpt #: 235 total cpu time spent up to now is 1011.6 secs Computing kpt #: 236 total cpu time spent up to now is 1015.4 secs Computing kpt #: 237 total cpu time spent up to now is 1019.4 secs Computing kpt #: 238 total cpu time spent up to now is 1023.7 secs Computing kpt #: 239 total cpu time spent up to now is 1028.0 secs Computing kpt #: 240 total cpu time spent up to now is 1032.3 secs Computing kpt #: 241 total cpu time spent up to now is 1038.1 secs Computing kpt #: 242 total cpu time spent up to now is 1042.8 secs Computing kpt #: 243 total cpu time spent up to now is 1047.6 secs Computing kpt #: 244 total cpu time spent up to now is 1052.0 secs Computing kpt #: 245 total cpu time spent up to now is 1056.4 secs Computing kpt #: 246 total cpu time spent up to now is 1060.8 secs Computing kpt #: 247 total cpu time spent up to now is 1065.1 secs Computing kpt #: 248 total cpu time spent up to now is 1071.0 secs Computing kpt #: 249 total cpu time spent up to now is 1075.2 secs Computing kpt #: 250 total cpu time spent up to now is 1079.5 secs Computing kpt #: 251 total cpu time spent up to now is 1084.5 secs ethr = 1.92E-11, avg # of iterations = 27.7 total cpu time spent up to now is 1084.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8341 PWs) bands (ev): -6.4975 -6.4975 -5.3345 -5.3345 -5.3285 -5.3285 -5.2523 -5.2523 -0.6358 -0.6358 0.5489 0.5489 0.8034 0.8034 0.9395 0.9395 1.0186 1.0186 1.1381 1.1381 1.2142 1.2142 1.3064 1.3064 1.3198 1.3198 1.6322 1.6322 1.8474 1.8474 1.8801 1.8801 2.1841 2.1841 2.2113 2.2113 2.2540 2.2540 2.8424 2.8424 3.2050 3.2050 3.3953 3.3953 3.6311 3.6311 5.0054 5.0054 5.6088 5.6088 5.7757 5.7757 6.6255 6.6255 7.3147 7.3147 7.7033 7.7033 9.0778 9.0778 9.1089 9.1089 k = 0.0000 0.0000 0.0231 ( 8325 PWs) bands (ev): -6.4967 -6.4967 -5.3351 -5.3351 -5.3291 -5.3290 -5.2525 -5.2522 -0.6358 -0.6341 0.5405 0.5538 0.7999 0.8071 0.9367 0.9428 1.0179 1.0202 1.1362 1.1406 1.2026 1.2239 1.2823 1.3110 1.3291 1.3303 1.6284 1.6392 1.8470 1.8470 1.8770 1.8808 2.1687 2.1887 2.2189 2.2196 2.2481 2.2612 2.8357 2.8459 3.2039 3.2062 3.3933 3.4031 3.6282 3.6354 4.9923 5.0085 5.5960 5.6006 5.7625 5.7788 6.6392 6.6425 7.3177 7.3212 7.7026 7.7143 9.0743 9.0798 9.1013 9.1139 k = 0.0000 0.0000 0.0462 ( 8311 PWs) bands (ev): -6.4943 -6.4943 -5.3368 -5.3368 -5.3308 -5.3308 -5.2529 -5.2523 -0.6343 -0.6309 0.5288 0.5549 0.7967 0.8112 0.9345 0.9465 1.0175 1.0227 1.1342 1.1442 1.1908 1.2266 1.2625 1.3036 1.3392 1.3514 1.6292 1.6482 1.8458 1.8461 1.8715 1.8797 2.1484 2.1903 2.2327 2.2364 2.2467 2.2697 2.8263 2.8463 3.2019 3.2078 3.3961 3.4169 3.6274 3.6409 4.9683 5.0017 5.5608 5.5751 5.7433 5.7714 6.6808 6.6872 7.3297 7.3368 7.7125 7.7362 9.0698 9.0801 9.0917 9.1159 k = 0.0000 0.0000 0.0693 ( 8315 PWs) bands (ev): -6.4903 -6.4903 -5.3397 -5.3397 -5.3336 -5.3336 -5.2534 -5.2525 -0.6312 -0.6261 0.5142 0.5523 0.7937 0.8154 0.9329 0.9504 1.0171 1.0258 1.1313 1.1491 1.1799 1.2136 1.2548 1.2989 1.3498 1.3691 1.6352 1.6580 1.8435 1.8442 1.8645 1.8780 2.1267 2.1919 2.2396 2.2569 2.2572 2.2825 2.8149 2.8438 3.1977 3.2093 3.4030 3.4370 3.6303 3.6485 4.9323 4.9848 5.5066 5.5376 5.7217 5.7560 6.7436 6.7533 7.3488 7.3599 7.7342 7.7700 9.0648 9.0788 9.0806 9.1150 k = 0.0000 0.0000 0.0924 ( 8327 PWs) bands (ev): -6.4847 -6.4847 -5.3438 -5.3437 -5.3375 -5.3374 -5.2542 -5.2529 -0.6266 -0.6198 0.4973 0.5460 0.7910 0.8199 0.9318 0.9543 1.0159 1.0291 1.1267 1.1555 1.1712 1.1918 1.2515 1.2987 1.3613 1.3825 1.6468 1.6674 1.8403 1.8405 1.8574 1.8771 2.1046 2.1898 2.2496 2.2709 2.2727 2.3072 2.8023 2.8392 3.1903 3.2092 3.4140 3.4627 3.6388 3.6594 4.8832 4.9565 5.4411 5.4941 5.6984 5.7349 6.8201 6.8337 7.3730 7.3880 7.7695 7.8172 9.0598 9.0683 9.0761 9.1116 k = 0.0000 0.0000 0.1155 ( 8327 PWs) bands (ev): -6.4776 -6.4776 -5.3491 -5.3488 -5.3425 -5.3422 -5.2551 -5.2535 -0.6205 -0.6120 0.4783 0.5365 0.7885 0.8246 0.9311 0.9579 1.0136 1.0320 1.1198 1.1596 1.1651 1.1731 1.2455 1.3026 1.3738 1.3917 1.6632 1.6754 1.8341 1.8371 1.8520 1.8775 2.0830 2.1826 2.2675 2.2793 2.2890 2.3423 2.7893 2.8333 3.1789 3.2059 3.4297 3.4937 3.6540 3.6750 4.8207 4.9154 5.3721 5.4495 5.6730 5.7092 6.9043 6.9227 7.3997 7.4180 7.8200 7.8789 9.0536 9.0568 9.0721 9.1061 k = 0.0000 0.0000 0.1386 ( 8320 PWs) bands (ev): -6.4689 -6.4689 -5.3555 -5.3550 -5.3483 -5.3478 -5.2562 -5.2544 -0.6131 -0.6028 0.4578 0.5240 0.7861 0.8295 0.9307 0.9609 1.0099 1.0340 1.1111 1.1439 1.1615 1.1773 1.2376 1.3083 1.3875 1.3974 1.6811 1.6826 1.8252 1.8353 1.8484 1.8792 2.0622 2.1714 2.2863 2.2904 2.3068 2.3831 2.7768 2.8270 3.1636 3.1983 3.4513 3.5292 3.6758 3.6960 4.7456 4.8604 5.3056 5.4070 5.6452 5.6795 6.9919 7.0161 7.4274 7.4476 7.8869 7.9557 9.0388 9.0539 9.0669 9.0990 k = 0.0000 0.0000 0.1617 ( 8324 PWs) bands (ev): -6.4587 -6.4587 -5.3631 -5.3623 -5.3549 -5.3543 -5.2576 -5.2555 -0.6044 -0.5922 0.4360 0.5089 0.7839 0.8345 0.9302 0.9628 1.0047 1.0345 1.1016 1.1255 1.1595 1.1870 1.2299 1.3141 1.4005 1.4023 1.6842 1.7028 1.8157 1.8357 1.8455 1.8821 2.0427 2.1566 2.2934 2.3130 2.3300 2.4276 2.7657 2.8215 3.1454 3.1872 3.4795 3.5686 3.7034 3.7226 4.6597 4.7917 5.2446 5.3675 5.6152 5.6462 7.0795 7.1106 7.4549 7.4755 7.9700 8.0472 9.0217 9.0537 9.0605 9.0910 k = 0.0000 0.0000 0.1848 ( 8324 PWs) bands (ev): -6.4470 -6.4469 -5.3717 -5.3707 -5.3622 -5.3614 -5.2594 -5.2569 -0.5945 -0.5803 0.4133 0.4917 0.7818 0.8396 0.9293 0.9632 0.9984 1.0329 1.0920 1.1109 1.1585 1.1940 1.2258 1.3193 1.4016 1.4178 1.6849 1.7212 1.8067 1.8386 1.8427 1.8858 2.0244 2.1379 2.3018 2.3320 2.3610 2.4752 2.7566 2.8175 3.1256 3.1746 3.5138 3.6113 3.7352 3.7545 4.5653 4.7114 5.1897 5.3308 5.5835 5.6098 7.1649 7.2040 7.4819 7.5017 8.0677 8.1523 9.0028 9.0515 9.0559 9.0836 k = 0.0000 0.0000 0.2079 ( 8314 PWs) bands (ev): -6.4338 -6.4337 -5.3813 -5.3801 -5.3702 -5.3692 -5.2614 -5.2587 -0.5835 -0.5673 0.3898 0.4726 0.7799 0.8447 0.9279 0.9615 0.9912 1.0289 1.0832 1.1016 1.1583 1.1933 1.2297 1.3233 1.4014 1.4336 1.6838 1.7349 1.8000 1.8397 1.8436 1.8901 2.0069 2.1151 2.3126 2.3498 2.3970 2.5249 2.7505 2.8160 3.1063 3.1632 3.5535 3.6567 3.7696 3.7910 4.4650 4.6228 5.1394 5.2956 5.5504 5.5711 7.2464 7.2943 7.5084 7.5265 8.1779 8.2695 8.9821 9.0384 9.0606 9.0785 k = 0.0000 0.0000 0.2310 ( 8318 PWs) bands (ev): -6.4192 -6.4191 -5.3918 -5.3903 -5.3788 -5.3777 -5.2639 -5.2608 -0.5715 -0.5533 0.3658 0.4518 0.7780 0.8497 0.9256 0.9576 0.9835 1.0225 1.0756 1.0978 1.1584 1.1869 1.2389 1.3261 1.4002 1.4490 1.6818 1.7411 1.7971 1.8368 1.8500 1.8945 1.9894 2.0880 2.3268 2.3674 2.4363 2.5759 2.7483 2.8178 3.0895 3.1556 3.5975 3.7044 3.8047 3.8313 4.3611 4.5299 5.0920 5.2606 5.5167 5.5309 7.3228 7.3803 7.5347 7.5506 8.2978 8.3967 8.9597 9.0207 9.0678 9.0764 k = 0.0000 0.0000 0.2541 ( 8320 PWs) bands (ev): -6.4032 -6.4031 -5.4030 -5.4014 -5.3878 -5.3866 -5.2667 -5.2634 -0.5587 -0.5384 0.3413 0.4298 0.7761 0.8544 0.9224 0.9516 0.9757 1.0151 1.0697 1.0985 1.1588 1.1791 1.2489 1.3278 1.3982 1.4632 1.6796 1.7399 1.7973 1.8346 1.8572 1.8984 1.9704 2.0569 2.3451 2.3845 2.4783 2.6268 2.7516 2.8233 3.0774 3.1541 3.6449 3.7536 3.8380 3.8742 4.2556 4.4366 5.0462 5.2245 5.4828 5.4904 7.3934 7.4609 7.5612 7.5745 8.4243 8.5319 8.9366 8.9986 9.0770 9.0770 k = 0.0000 0.0000 0.2772 ( 8306 PWs) bands (ev): -6.3858 -6.3857 -5.4149 -5.4132 -5.3973 -5.3960 -5.2701 -5.2665 -0.5452 -0.5226 0.3166 0.4067 0.7742 0.8583 0.9185 0.9440 0.9681 1.0076 1.0659 1.1022 1.1596 1.1713 1.2578 1.3285 1.3953 1.4753 1.6777 1.7340 1.7976 1.8338 1.8647 1.9002 1.9488 2.0232 2.3673 2.4009 2.5227 2.6742 2.7637 2.8331 3.0719 3.1604 3.6948 3.8037 3.8661 3.9186 4.1510 4.3475 5.0014 5.1863 5.4492 5.4505 7.4575 7.5350 7.5882 7.5987 8.5522 8.6722 8.9155 8.9729 9.0797 9.0877 k = 0.0000 0.0000 0.3002 ( 8318 PWs) bands (ev): -6.3672 -6.3670 -5.4275 -5.4257 -5.4071 -5.4058 -5.2739 -5.2702 -0.5310 -0.5063 0.2917 0.3827 0.7722 0.8608 0.9148 0.9358 0.9610 1.0007 1.0642 1.1074 1.1604 1.1641 1.2647 1.3288 1.3916 1.4847 1.6762 1.7262 1.7958 1.8347 1.8720 1.8960 1.9240 1.9913 2.3929 2.4159 2.5694 2.7118 2.7906 2.8472 3.0746 3.1757 3.7463 3.8536 3.8836 3.9602 4.0527 4.2686 4.9575 5.1455 5.4122 5.4161 7.5147 7.6004 7.6176 7.6235 8.6689 8.8110 8.9061 8.9478 9.0838 9.0991 k = 0.0000 0.0000 0.3233 ( 8324 PWs) bands (ev): -6.3473 -6.3471 -5.4405 -5.4386 -5.4171 -5.4158 -5.2784 -5.2744 -0.5165 -0.4894 0.2666 0.3580 0.7701 0.8610 0.9123 0.9276 0.9546 0.9944 1.0648 1.1129 1.1582 1.1615 1.2692 1.3293 1.3870 1.4908 1.6752 1.7180 1.7917 1.8369 1.8748 1.8816 1.8963 1.9696 2.4204 2.4295 2.6178 2.7378 2.8331 2.8651 3.0868 3.2007 3.7986 3.8822 3.8956 3.9425 4.0254 4.2084 4.9155 5.1019 5.3762 5.3838 7.5649 7.6401 7.6493 7.6663 8.7372 8.8806 8.9425 8.9874 9.0886 9.1103 k = 0.0000 0.0000 0.3464 ( 8324 PWs) bands (ev): -6.3263 -6.3260 -5.4540 -5.4521 -5.4273 -5.4260 -5.2834 -5.2792 -0.5015 -0.4722 0.2416 0.3328 0.7678 0.8581 0.9119 0.9204 0.9494 0.9889 1.0672 1.1173 1.1544 1.1627 1.2712 1.3304 1.3812 1.4934 1.6744 1.7100 1.7853 1.8393 1.8407 1.8673 1.8858 1.9624 2.4417 2.4484 2.6675 2.7591 2.8830 2.8862 3.1094 3.2354 3.8378 3.8481 3.8585 3.9600 4.0670 4.1736 4.8767 5.0562 5.3428 5.3525 7.6077 7.6690 7.6764 7.7190 8.7371 8.8492 9.0373 9.0927 9.1188 9.1235 k = 0.0000 0.0000 0.3695 ( 8320 PWs) bands (ev): -6.3041 -6.3037 -5.4678 -5.4659 -5.4376 -5.4363 -5.2891 -5.2848 -0.4864 -0.4548 0.2167 0.3072 0.7652 0.8522 0.9140 0.9144 0.9456 0.9842 1.0712 1.1191 1.1535 1.1640 1.2710 1.3327 1.3738 1.4925 1.6736 1.7024 1.7759 1.7943 1.8341 1.8468 1.8908 1.9634 2.4527 2.4758 2.7172 2.7800 2.9095 2.9331 3.1425 3.2796 3.7539 3.8070 3.9034 4.0060 4.1121 4.1602 4.8431 5.0096 5.3120 5.3221 7.6435 7.6977 7.7044 7.7650 8.7070 8.8031 9.0946 9.1025 9.1820 9.2452 k = 0.0000 0.0000 0.3926 ( 8316 PWs) bands (ev): -6.2809 -6.2804 -5.4819 -5.4799 -5.4478 -5.4465 -5.2955 -5.2911 -0.4711 -0.4373 0.1918 0.2813 0.7623 0.8440 0.9101 0.9179 0.9435 0.9803 1.0764 1.1176 1.1554 1.1655 1.2692 1.3361 1.3644 1.4886 1.6724 1.6948 1.7432 1.7609 1.8126 1.8479 1.8946 1.9678 2.4630 2.5017 2.7653 2.8012 2.9341 2.9784 3.1860 3.3324 3.6812 3.7509 3.9531 4.0503 4.1561 4.1566 4.8170 4.9638 5.2836 5.2928 7.6727 7.7264 7.7326 7.8038 8.6653 8.7496 9.0921 9.1052 9.2929 9.3042 k = 0.0000 0.0000 0.4157 ( 8316 PWs) bands (ev): -6.2567 -6.2561 -5.4961 -5.4942 -5.4579 -5.4567 -5.3026 -5.2981 -0.4559 -0.4198 0.1672 0.2554 0.7592 0.8345 0.9074 0.9231 0.9431 0.9775 1.0827 1.1139 1.1587 1.1671 1.2667 1.3407 1.3523 1.4823 1.6693 1.6866 1.6919 1.7395 1.7971 1.8510 1.8970 1.9738 2.4728 2.5260 2.8083 2.8210 2.9595 3.0139 3.2390 3.3928 3.6277 3.6981 3.9992 4.0904 4.1541 4.1979 4.8003 4.9211 5.2574 5.2646 7.6964 7.7548 7.7597 7.8355 8.6169 8.6895 9.0829 9.0925 9.3021 9.3950 k = 0.0000 0.0000 0.4388 ( 8316 PWs) bands (ev): -6.2316 -6.2310 -5.5105 -5.5087 -5.4678 -5.4666 -5.3104 -5.3060 -0.4407 -0.4024 0.1428 0.2295 0.7558 0.8244 0.9063 0.9292 0.9445 0.9758 1.0897 1.1092 1.1614 1.1689 1.2643 1.3372 1.3464 1.4745 1.6343 1.6717 1.6763 1.7165 1.7870 1.8541 1.8979 1.9806 2.4825 2.5488 2.8357 2.8405 2.9866 3.0355 3.3007 3.4591 3.6006 3.6579 4.0372 4.1244 4.1514 4.2369 4.7943 4.8839 5.2333 5.2377 7.7147 7.7822 7.7845 7.8599 8.5635 8.6236 9.0655 9.0682 9.2962 9.4281 k = 0.0000 0.0000 0.4619 ( 8320 PWs) bands (ev): -6.2057 -6.2050 -5.5249 -5.5232 -5.4773 -5.4762 -5.3191 -5.3146 -0.4257 -0.3853 0.1188 0.2038 0.7523 0.8142 0.9065 0.9360 0.9473 0.9754 1.0972 1.1041 1.1627 1.1709 1.2627 1.3187 1.3531 1.4660 1.5829 1.6619 1.6685 1.6979 1.7794 1.8572 1.8971 1.9880 2.4927 2.5703 2.8383 2.8549 3.0176 3.0457 3.3701 3.5276 3.6034 3.6390 4.0566 4.1500 4.1568 4.2728 4.7989 4.8548 5.2112 5.2122 7.7274 7.8060 7.8075 7.8772 8.5065 8.5526 9.0328 9.0389 9.2924 9.4197 k = 0.0000 0.0000 0.4850 ( 8320 PWs) bands (ev): -6.1792 -6.1783 -5.5394 -5.5378 -5.4865 -5.4855 -5.3285 -5.3241 -0.4109 -0.3685 0.0950 0.1783 0.7487 0.8043 0.9078 0.9434 0.9513 0.9763 1.0987 1.1049 1.1621 1.1731 1.2621 1.2971 1.3610 1.4575 1.5332 1.6441 1.6653 1.6852 1.7729 1.8601 1.8946 1.9957 2.5034 2.5908 2.8214 2.8481 3.0525 3.0545 3.4458 3.5858 3.6328 3.6569 4.0495 4.1655 4.1787 4.3058 4.8128 4.8358 5.1883 5.1912 7.7336 7.8227 7.8283 7.8877 8.4479 8.4783 8.9877 9.0036 9.2906 9.4132 k = 0.0000 0.0000 0.5081 ( 8318 PWs) bands (ev): -6.1520 -6.1510 -5.5538 -5.5524 -5.4951 -5.4942 -5.3388 -5.3344 -0.3963 -0.3520 0.0717 0.1531 0.7452 0.7949 0.9097 0.9513 0.9561 0.9783 1.0930 1.1124 1.1597 1.1751 1.2628 1.2737 1.3700 1.4491 1.4868 1.6263 1.6615 1.6754 1.7668 1.8628 1.8905 2.0037 2.5150 2.6098 2.7837 2.8221 3.0701 3.0883 3.5263 3.6241 3.6811 3.7198 4.0259 4.1706 4.2089 4.3359 4.8280 4.8341 5.1665 5.1736 7.7320 7.8325 7.8402 7.8927 8.3903 8.4038 8.9350 8.9610 9.2904 9.4088 k = 0.0000 0.0000 0.5312 ( 8322 PWs) bands (ev): -6.1243 -6.1232 -5.5682 -5.5669 -5.5031 -5.5023 -5.3497 -5.3456 -0.3820 -0.3359 0.0489 0.1283 0.7420 0.7863 0.9118 0.9592 0.9614 0.9810 1.0865 1.1186 1.1565 1.1769 1.2510 1.2647 1.3797 1.4411 1.4449 1.6107 1.6570 1.6666 1.7609 1.8655 1.8847 2.0119 2.5275 2.6242 2.7348 2.7817 3.0925 3.1218 3.6098 3.6655 3.7402 3.8008 3.9966 4.1674 4.2392 4.3632 4.8309 4.8605 5.1470 5.1583 7.7214 7.8321 7.8373 7.8931 8.3340 8.3381 8.8778 8.9132 9.2916 9.4062 k = 0.0000 0.0000 0.5543 ( 8314 PWs) bands (ev): -6.0962 -6.0950 -5.5825 -5.5814 -5.5104 -5.5098 -5.3615 -5.3575 -0.3679 -0.3201 0.0265 0.1041 0.7392 0.7788 0.9138 0.9663 0.9675 0.9838 1.0782 1.1209 1.1541 1.1783 1.2335 1.2676 1.3870 1.4116 1.4332 1.5982 1.6517 1.6579 1.7550 1.8683 1.8772 2.0204 2.5404 2.6167 2.6995 2.7326 3.1182 3.1505 3.6946 3.7163 3.8029 3.8865 3.9689 4.1609 4.2665 4.3874 4.8429 4.8904 5.1304 5.1458 7.7005 7.8169 7.8173 7.8842 8.2766 8.2963 8.8192 8.8628 9.2941 9.4052 k = 0.0000 0.0000 0.5774 ( 8318 PWs) bands (ev): -6.0679 -6.0665 -5.5968 -5.5959 -5.5169 -5.5164 -5.3739 -5.3701 -0.3540 -0.3047 0.0046 0.0804 0.7371 0.7723 0.9154 0.9716 0.9742 0.9859 1.0670 1.1146 1.1544 1.1821 1.2247 1.2715 1.3703 1.4087 1.4254 1.5887 1.6456 1.6487 1.7488 1.8680 1.8713 2.0291 2.5522 2.5669 2.6809 2.7031 3.1441 3.1721 3.7719 3.7785 3.8612 3.9430 3.9798 4.1594 4.2893 4.4088 4.8615 4.9220 5.1171 5.1360 7.6683 7.7797 7.7850 7.8577 8.2397 8.2692 8.7623 8.8128 9.2981 9.4058 k = 0.0000 0.0000 0.6005 ( 8326 PWs) bands (ev): -6.0394 -6.0379 -5.6110 -5.6104 -5.5226 -5.5222 -5.3869 -5.3833 -0.3403 -0.2896 -0.0168 0.0572 0.7357 0.7671 0.9166 0.9748 0.9801 0.9864 1.0525 1.0993 1.1587 1.1915 1.2240 1.2766 1.3457 1.4176 1.4204 1.5821 1.6389 1.6391 1.7423 1.8568 1.8746 2.0380 2.5012 2.5547 2.6381 2.7229 3.1675 3.1851 3.8207 3.8592 3.9055 3.9435 4.0651 4.1738 4.3075 4.4280 4.8845 4.9544 5.1074 5.1289 7.6243 7.7265 7.7356 7.8111 8.2261 8.2577 8.7096 8.7654 9.3037 9.4080 k = 0.0000 0.0000 0.6236 ( 8326 PWs) bands (ev): -6.0109 -6.0092 -5.6253 -5.6250 -5.5273 -5.5270 -5.4003 -5.3971 -0.3267 -0.2747 -0.0376 0.0347 0.7353 0.7633 0.9168 0.9736 0.9846 0.9857 1.0357 1.0812 1.1668 1.2064 1.2279 1.2828 1.3260 1.4097 1.4339 1.5781 1.6288 1.6314 1.7353 1.8436 1.8784 2.0472 2.4328 2.5275 2.6271 2.7475 3.1865 3.1881 3.8469 3.9258 3.9369 3.9751 4.1504 4.2120 4.3218 4.4466 4.9101 4.9865 5.1017 5.1245 7.5694 7.6597 7.6728 7.7494 8.2312 8.2593 8.6630 8.7222 9.3111 9.4117 k = 0.0000 0.0000 0.6467 ( 8330 PWs) bands (ev): -5.9826 -5.9807 -5.6397 -5.6397 -5.5309 -5.5308 -5.4142 -5.4113 -0.3132 -0.2600 -0.0578 0.0128 0.7360 0.7611 0.9155 0.9656 0.9800 0.9914 1.0192 1.0658 1.1773 1.2254 1.2344 1.2878 1.3143 1.4018 1.4481 1.5764 1.6179 1.6233 1.7276 1.8281 1.8830 2.0567 2.3654 2.4793 2.6409 2.7747 3.1806 3.1992 3.8580 3.9356 3.9997 4.0296 4.2306 4.2700 4.3347 4.4668 4.9367 5.0178 5.1000 5.1223 7.5057 7.5837 7.6015 7.6786 8.2479 8.2701 8.6230 8.6840 9.3203 9.4170 k = 0.0000 0.0000 0.6698 ( 8324 PWs) bands (ev): -5.9545 -5.9525 -5.6546 -5.6543 -5.5334 -5.5334 -5.4282 -5.4256 -0.2997 -0.2453 -0.0775 -0.0084 0.7380 0.7606 0.9111 0.9506 0.9726 0.9970 1.0061 1.0555 1.1887 1.2418 1.2477 1.2846 1.3181 1.3943 1.4627 1.5765 1.6065 1.6148 1.7189 1.8102 1.8885 2.0668 2.3007 2.4279 2.6630 2.8040 3.1631 3.2043 3.8699 3.9375 4.0512 4.0860 4.2986 4.3382 4.3548 4.4911 4.9632 5.0475 5.1023 5.1218 7.4367 7.5040 7.5257 7.6025 8.2712 8.2868 8.5894 8.6505 9.3315 9.4238 k = 0.0000 0.0000 0.6929 ( 8332 PWs) bands (ev): -5.9269 -5.9247 -5.6699 -5.6693 -5.5347 -5.5347 -5.4421 -5.4400 -0.2861 -0.2307 -0.0966 -0.0289 0.7414 0.7618 0.9019 0.9307 0.9649 0.9969 1.0024 1.0495 1.1994 1.2506 1.2713 1.2763 1.3334 1.3877 1.4772 1.5770 1.5954 1.6060 1.7090 1.7898 1.8953 2.0775 2.2398 2.3784 2.6894 2.8352 3.1371 3.2011 3.8873 3.9405 4.0867 4.1307 4.3414 4.3989 4.4088 4.5210 4.9888 5.0751 5.1082 5.1224 7.3668 7.4259 7.4489 7.5244 8.2981 8.3069 8.5612 8.6208 9.3445 9.4320 k = 0.0000 0.0000 0.7160 ( 8336 PWs) bands (ev): -5.8998 -5.8976 -5.6858 -5.6848 -5.5347 -5.5346 -5.4559 -5.4541 -0.2724 -0.2160 -0.1151 -0.0488 0.7464 0.7649 0.8875 0.9087 0.9600 0.9902 1.0077 1.0457 1.2087 1.2598 1.2682 1.2946 1.3545 1.3837 1.4909 1.5722 1.5902 1.5978 1.6980 1.7670 1.9036 2.0890 2.1833 2.3325 2.7189 2.8679 3.1044 3.1896 3.9104 3.9480 4.1057 4.1548 4.3766 4.4529 4.4769 4.5557 5.0131 5.1000 5.1172 5.1233 7.3002 7.3539 7.3742 7.4475 8.3268 8.3289 8.5371 8.5939 9.3592 9.4416 k = 0.0000 0.0000 0.7391 ( 8338 PWs) bands (ev): -5.8735 -5.8712 -5.7023 -5.7010 -5.5333 -5.5332 -5.4691 -5.4677 -0.2584 -0.2012 -0.1330 -0.0680 0.7531 0.7700 0.8696 0.8864 0.9584 0.9847 1.0127 1.0428 1.2165 1.2611 1.2693 1.3132 1.3789 1.3858 1.5023 1.5587 1.5916 1.5937 1.6858 1.7419 1.9139 2.1016 2.1321 2.2911 2.7511 2.9022 3.0672 3.1706 3.9381 3.9607 4.1102 4.1579 4.4182 4.4994 4.5386 4.5920 5.0356 5.1216 5.1236 5.1285 7.2411 7.2918 7.3049 7.3751 8.3517 8.3561 8.5158 8.5687 9.3756 9.4524 k = 0.0000 0.0000 0.7622 ( 8334 PWs) bands (ev): -5.8481 -5.8458 -5.7197 -5.7182 -5.5304 -5.5303 -5.4816 -5.4805 -0.2442 -0.1861 -0.1504 -0.0865 0.7616 0.7771 0.8505 0.8651 0.9591 0.9798 1.0175 1.0400 1.2231 1.2548 1.2789 1.3216 1.3988 1.4052 1.5084 1.5414 1.5905 1.6007 1.6726 1.7152 1.9265 2.0866 2.1157 2.2544 2.7858 2.9376 3.0271 3.1454 3.9690 3.9783 4.1036 4.1461 4.4618 4.5336 4.5909 4.6253 5.0561 5.1225 5.1383 5.1413 7.1931 7.2428 7.2440 7.3108 8.3744 8.3853 8.4962 8.5443 9.3932 9.4642 k = 0.0000 0.0000 0.7853 ( 8346 PWs) bands (ev): -5.8237 -5.8214 -5.7381 -5.7363 -5.5259 -5.5258 -5.4931 -5.4924 -0.2296 -0.1707 -0.1672 -0.1045 0.7720 0.7864 0.8319 0.8453 0.9610 0.9752 1.0221 1.0370 1.2287 1.2491 1.2885 1.3205 1.4211 1.4314 1.5060 1.5213 1.5978 1.6097 1.6589 1.6876 1.9421 2.0469 2.1315 2.2223 2.8227 2.9738 2.9855 3.1154 3.9994 4.0017 4.0891 4.1248 4.5014 4.5541 4.6311 4.6515 5.0744 5.1192 5.1502 5.1533 7.1592 7.1949 7.2098 7.2578 8.3966 8.4141 8.4772 8.5198 9.4119 9.4768 k = 0.0000 0.0000 0.8084 ( 8346 PWs) bands (ev): -5.8005 -5.7982 -5.7577 -5.7557 -5.5199 -5.5198 -5.5034 -5.5030 -0.2147 -0.1835 -0.1548 -0.1218 0.7842 0.7979 0.8143 0.8274 0.9638 0.9710 1.0263 1.0338 1.2339 1.2439 1.2979 1.3147 1.4472 1.4561 1.4951 1.4986 1.6135 1.6202 1.6453 1.6604 1.9613 2.0131 2.1496 2.1944 2.8616 2.9435 3.0104 3.0821 4.0227 4.0348 4.0694 4.0979 4.5326 4.5603 4.6576 4.6670 5.0903 5.1129 5.1585 5.1606 7.1419 7.1602 7.1945 7.2194 8.4180 8.4420 8.4581 8.4948 9.4312 9.4708 k = 0.0000 0.0000 0.8315 ( 8334 PWs) bands (ev): -5.7785 -5.7785 -5.7763 -5.7763 -5.5124 -5.5124 -5.5122 -5.5122 -0.1993 -0.1993 -0.1386 -0.1386 0.7984 0.7984 0.8116 0.8116 0.9672 0.9672 1.0302 1.0302 1.2389 1.2389 1.3068 1.3068 1.4737 1.4737 1.4778 1.4778 1.6322 1.6322 1.6352 1.6352 1.9847 1.9847 2.1704 2.1704 2.9020 2.9020 3.0468 3.0468 4.0466 4.0466 4.0674 4.0674 4.5528 4.5528 4.6695 4.6695 5.1032 5.1032 5.1623 5.1623 7.1422 7.1422 7.1978 7.1978 8.4385 8.4385 8.4689 8.4689 9.4510 9.4510 k = 0.0000 0.0000 0.8315 ( 8334 PWs) bands (ev): -5.7785 -5.7785 -5.7763 -5.7763 -5.5124 -5.5124 -5.5122 -5.5122 -0.1993 -0.1993 -0.1386 -0.1386 0.7984 0.7984 0.8116 0.8116 0.9672 0.9672 1.0302 1.0302 1.2389 1.2389 1.3068 1.3068 1.4737 1.4737 1.4778 1.4778 1.6322 1.6322 1.6352 1.6352 1.9847 1.9847 2.1704 2.1704 2.9020 2.9020 3.0468 3.0468 4.0466 4.0466 4.0674 4.0674 4.5528 4.5528 4.6695 4.6695 5.1032 5.1032 5.1623 5.1623 7.1422 7.1422 7.1978 7.1978 8.4385 8.4385 8.4689 8.4689 9.4510 9.4510 k =-0.0142 0.0188 0.8315 ( 8342 PWs) bands (ev): -5.7785 -5.7785 -5.7763 -5.7763 -5.5126 -5.5126 -5.5122 -5.5122 -0.1990 -0.1990 -0.1381 -0.1381 0.7973 0.7973 0.8132 0.8132 0.9676 0.9676 1.0307 1.0307 1.2394 1.2394 1.3076 1.3076 1.4726 1.4726 1.4789 1.4789 1.6314 1.6314 1.6371 1.6371 1.9849 1.9849 2.1705 2.1705 2.9016 2.9016 3.0468 3.0468 4.0432 4.0432 4.0649 4.0649 4.5520 4.5520 4.6682 4.6682 5.1003 5.1003 5.1593 5.1593 7.1449 7.1449 7.2008 7.2008 8.4454 8.4454 8.4776 8.4776 9.4467 9.4467 k =-0.0283 0.0376 0.8315 ( 8332 PWs) bands (ev): -5.7785 -5.7785 -5.7763 -5.7763 -5.5131 -5.5131 -5.5125 -5.5125 -0.1978 -0.1978 -0.1369 -0.1369 0.7950 0.7950 0.8172 0.8172 0.9687 0.9687 1.0320 1.0320 1.2410 1.2410 1.3102 1.3102 1.4707 1.4707 1.4810 1.4810 1.6307 1.6307 1.6409 1.6409 1.9856 1.9856 2.1709 2.1709 2.9003 2.9003 3.0469 3.0469 4.0329 4.0329 4.0575 4.0575 4.5495 4.5495 4.6646 4.6646 5.0918 5.0918 5.1505 5.1505 7.1533 7.1533 7.2097 7.2097 8.4661 8.4661 8.5032 8.5032 9.4335 9.4335 k =-0.0425 0.0564 0.8315 ( 8336 PWs) bands (ev): -5.7785 -5.7785 -5.7763 -5.7763 -5.5138 -5.5138 -5.5130 -5.5130 -0.1960 -0.1960 -0.1349 -0.1349 0.7928 0.7928 0.8223 0.8223 0.9706 0.9706 1.0341 1.0341 1.2436 1.2436 1.3145 1.3145 1.4685 1.4685 1.4835 1.4835 1.6310 1.6310 1.6460 1.6460 1.9867 1.9867 2.1715 2.1715 2.8983 2.8983 3.0469 3.0469 4.0161 4.0161 4.0454 4.0454 4.5454 4.5454 4.6586 4.6586 5.0781 5.0781 5.1364 5.1364 7.1671 7.1671 7.2246 7.2246 8.4999 8.4999 8.5440 8.5440 9.4111 9.4111 k =-0.0566 0.0753 0.8315 ( 8344 PWs) bands (ev): -5.7786 -5.7786 -5.7764 -5.7764 -5.5146 -5.5146 -5.5136 -5.5136 -0.1936 -0.1936 -0.1322 -0.1322 0.7911 0.7911 0.8279 0.8279 0.9731 0.9731 1.0371 1.0371 1.2474 1.2474 1.3202 1.3202 1.4664 1.4664 1.4862 1.4862 1.6322 1.6322 1.6522 1.6522 1.9882 1.9882 2.1723 2.1723 2.8956 2.8956 3.0469 3.0469 3.9929 3.9929 4.0286 4.0286 4.5399 4.5399 4.6504 4.6504 5.0597 5.0597 5.1177 5.1177 7.1863 7.1863 7.2451 7.2451 8.5455 8.5455 8.5979 8.5979 9.3790 9.3790 k =-0.0708 0.0941 0.8315 ( 8330 PWs) bands (ev): -5.7789 -5.7789 -5.7768 -5.7768 -5.5154 -5.5154 -5.5142 -5.5142 -0.1907 -0.1907 -0.1289 -0.1289 0.7900 0.7900 0.8338 0.8338 0.9763 0.9763 1.0408 1.0408 1.2524 1.2524 1.3272 1.3272 1.4645 1.4645 1.4892 1.4892 1.6343 1.6343 1.6596 1.6596 1.9905 1.9905 2.1734 2.1734 2.8923 2.8923 3.0468 3.0468 3.9641 3.9641 4.0074 4.0074 4.5331 4.5331 4.6403 4.6403 5.0375 5.0375 5.0952 5.0952 7.2107 7.2107 7.2712 7.2712 8.6006 8.6006 8.6621 8.6621 9.3372 9.3372 k =-0.0850 0.1129 0.8315 ( 8340 PWs) bands (ev): -5.7795 -5.7795 -5.7774 -5.7774 -5.5160 -5.5160 -5.5147 -5.5147 -0.1874 -0.1874 -0.1253 -0.1253 0.7897 0.7897 0.8398 0.8398 0.9799 0.9799 1.0451 1.0451 1.2588 1.2588 1.3353 1.3353 1.4629 1.4629 1.4926 1.4926 1.6372 1.6372 1.6682 1.6682 1.9933 1.9933 2.1747 2.1747 2.8886 2.8886 3.0464 3.0464 3.9301 3.9301 3.9821 3.9821 4.5252 4.5252 4.6284 4.6284 5.0121 5.0121 5.0698 5.0698 7.2400 7.2400 7.3024 7.3024 8.6621 8.6621 8.7331 8.7331 9.2863 9.2863 k =-0.0991 0.1317 0.8315 ( 8330 PWs) bands (ev): -5.7805 -5.7805 -5.7785 -5.7785 -5.5164 -5.5164 -5.5148 -5.5148 -0.1838 -0.1838 -0.1215 -0.1215 0.7901 0.7901 0.8458 0.8458 0.9839 0.9839 1.0501 1.0501 1.2665 1.2665 1.3439 1.3439 1.4620 1.4620 1.4963 1.4963 1.6408 1.6408 1.6782 1.6782 1.9970 1.9970 2.1763 2.1763 2.8846 2.8846 3.0457 3.0457 3.8918 3.8918 3.9532 3.9532 4.5163 4.5163 4.6150 4.6150 4.9846 4.9846 5.0423 5.0423 7.2739 7.2739 7.3383 7.3383 8.7259 8.7259 8.8064 8.8064 9.2274 9.2274 k =-0.1133 0.1505 0.8315 ( 8332 PWs) bands (ev): -5.7821 -5.7821 -5.7802 -5.7802 -5.5163 -5.5163 -5.5145 -5.5145 -0.1803 -0.1803 -0.1177 -0.1177 0.7913 0.7913 0.8517 0.8517 0.9881 0.9881 1.0557 1.0557 1.2754 1.2754 1.3524 1.3524 1.4623 1.4623 1.5007 1.5007 1.6449 1.6449 1.6897 1.6897 2.0016 2.0016 2.1780 2.1780 2.8805 2.8805 3.0445 3.0445 3.8501 3.8501 3.9212 3.9212 4.5065 4.5065 4.6006 4.6006 4.9555 4.9555 5.0137 5.0137 7.3118 7.3118 7.3783 7.3783 8.7870 8.7870 8.8762 8.8762 9.1628 9.1628 k =-0.1275 0.1693 0.8315 ( 8338 PWs) bands (ev): -5.7844 -5.7844 -5.7825 -5.7825 -5.5155 -5.5155 -5.5136 -5.5136 -0.1768 -0.1768 -0.1140 -0.1140 0.7931 0.7931 0.8573 0.8573 0.9923 0.9923 1.0616 1.0616 1.2854 1.2854 1.3600 1.3600 1.4646 1.4646 1.5058 1.5058 1.6494 1.6494 1.7028 1.7028 2.0073 2.0073 2.1801 2.1801 2.8763 2.8763 3.0426 3.0426 3.8060 3.8060 3.8868 3.8868 4.4960 4.4960 4.5853 4.5853 4.9255 4.9255 4.9844 4.9844 7.3531 7.3531 7.4218 7.4218 8.8386 8.8386 8.9337 8.9337 9.0962 9.0962 k =-0.1416 0.1882 0.8315 ( 8362 PWs) bands (ev): -5.7874 -5.7874 -5.7857 -5.7857 -5.5139 -5.5139 -5.5119 -5.5119 -0.1735 -0.1735 -0.1107 -0.1107 0.7956 0.7956 0.8626 0.8626 0.9963 0.9963 1.0679 1.0679 1.2960 1.2960 1.3657 1.3657 1.4697 1.4697 1.5118 1.5118 1.6542 1.6542 1.7176 1.7176 2.0141 2.0141 2.1824 2.1824 2.8723 2.8723 3.0400 3.0400 3.7608 3.7608 3.8507 3.8507 4.4848 4.4848 4.5694 4.5694 4.8952 4.8952 4.9552 4.9552 7.3972 7.3972 7.4679 7.4679 8.8705 8.8705 8.9599 8.9599 9.0381 9.0381 k =-0.1416 0.1882 0.8315 ( 8362 PWs) bands (ev): -5.7874 -5.7874 -5.7857 -5.7857 -5.5139 -5.5139 -5.5119 -5.5119 -0.1735 -0.1735 -0.1107 -0.1107 0.7956 0.7956 0.8626 0.8626 0.9963 0.9963 1.0679 1.0679 1.2960 1.2960 1.3657 1.3657 1.4697 1.4697 1.5118 1.5118 1.6542 1.6542 1.7176 1.7176 2.0141 2.0141 2.1824 2.1824 2.8723 2.8723 3.0400 3.0400 3.7608 3.7608 3.8507 3.8507 4.4848 4.4848 4.5694 4.5694 4.8952 4.8952 4.9552 4.9552 7.3972 7.3972 7.4679 7.4679 8.8705 8.8705 8.9599 8.9599 9.0381 9.0381 k =-0.1516 0.2014 0.8149 ( 8366 PWs) bands (ev): -5.7997 -5.7984 -5.7804 -5.7795 -5.5216 -5.5201 -5.5019 -5.5002 -0.1812 -0.1616 -0.1187 -0.0986 0.7955 0.7986 0.8657 0.8694 0.9961 1.0026 1.0718 1.0729 1.2993 1.3071 1.3651 1.3705 1.4608 1.4891 1.5031 1.5299 1.6422 1.6743 1.7257 1.7336 2.0088 2.0330 2.1716 2.1985 2.8429 2.8961 3.0170 3.0572 3.7114 3.7461 3.8088 3.8400 4.4618 4.4796 4.5533 4.5549 4.8732 4.8747 4.9307 4.9464 7.4287 7.4360 7.4978 7.5114 8.8517 8.8825 8.9280 8.9569 9.0067 9.0260 k =-0.1615 0.2146 0.7983 ( 8365 PWs) bands (ev): -5.8118 -5.8105 -5.7756 -5.7750 -5.5292 -5.5278 -5.4887 -5.4867 -0.1884 -0.1501 -0.1262 -0.0870 0.7950 0.8008 0.8701 0.8781 0.9960 1.0096 1.0758 1.0779 1.3021 1.3151 1.3596 1.3758 1.4564 1.4903 1.5113 1.5482 1.6325 1.6945 1.7380 1.7498 2.0078 2.0533 2.1631 2.2158 2.8151 2.9177 2.9953 3.0707 3.6644 3.7299 3.7675 3.8268 4.4280 4.4604 4.5282 4.5324 4.8525 4.8560 4.9164 4.9448 7.4670 7.4797 7.5347 7.5600 8.7889 8.8443 8.9055 8.9449 8.9961 9.0239 k =-0.1715 0.2278 0.7818 ( 8371 PWs) bands (ev): -5.8234 -5.8221 -5.7726 -5.7722 -5.5366 -5.5351 -5.4743 -5.4720 -0.1954 -0.1399 -0.1324 -0.0760 0.7949 0.8027 0.8753 0.8879 0.9959 1.0172 1.0793 1.0836 1.3047 1.3175 1.3520 1.3817 1.4568 1.4785 1.5317 1.5663 1.6255 1.7141 1.7538 1.7669 2.0108 2.0750 2.1567 2.2342 2.7894 2.9324 2.9788 3.0797 3.6206 3.7102 3.7300 3.8107 4.3845 4.4273 4.4942 4.5018 4.8351 4.8418 4.9127 4.9489 7.5107 7.5268 7.5774 7.6120 8.7081 8.7638 8.9058 8.9299 8.9825 9.0352 k =-0.1814 0.2411 0.7652 ( 8377 PWs) bands (ev): -5.8346 -5.8333 -5.7709 -5.7709 -5.5436 -5.5421 -5.4590 -5.4565 -0.2020 -0.1414 -0.1272 -0.0658 0.7955 0.8047 0.8807 0.8980 0.9958 1.0250 1.0821 1.0903 1.3067 1.3121 1.3465 1.3876 1.4575 1.4696 1.5524 1.5834 1.6217 1.7331 1.7715 1.7860 2.0173 2.0979 2.1526 2.2536 2.7660 2.9281 2.9792 3.0838 3.5808 3.6800 3.7042 3.7913 4.3328 4.3831 4.4531 4.4630 4.8227 4.8328 4.9172 4.9575 7.5578 7.5761 7.6243 7.6654 8.6235 8.6763 8.9034 8.9116 8.9711 9.0136 k =-0.1914 0.2543 0.7487 ( 8367 PWs) bands (ev): -5.8452 -5.8440 -5.7706 -5.7704 -5.5502 -5.5488 -5.4434 -5.4406 -0.2083 -0.1476 -0.1173 -0.0563 0.7970 0.8071 0.8857 0.9078 0.9953 1.0323 1.0842 1.0985 1.2980 1.3103 1.3437 1.3928 1.4468 1.4754 1.5729 1.5976 1.6229 1.7517 1.7895 1.8081 2.0267 2.1213 2.1513 2.2738 2.7454 2.9091 2.9910 3.0831 3.5451 3.6444 3.6858 3.7687 4.2748 4.3310 4.4073 4.4179 4.8156 4.8281 4.9272 4.9697 7.6056 7.6271 7.6737 7.7182 8.5398 8.5885 8.8762 8.9141 8.9634 8.9784 k =-0.2014 0.2675 0.7321 ( 8359 PWs) bands (ev): -5.8552 -5.8540 -5.7711 -5.7707 -5.5565 -5.5550 -5.4277 -5.4247 -0.2143 -0.1537 -0.1078 -0.0477 0.7995 0.8102 0.8903 0.9170 0.9945 1.0385 1.0857 1.1082 1.2824 1.3127 1.3416 1.3969 1.4330 1.4868 1.5929 1.6047 1.6331 1.7692 1.8086 1.8324 2.0385 2.1405 2.1572 2.2948 2.7279 2.8862 3.0027 3.0786 3.5133 3.6092 3.6688 3.7430 4.2123 4.2741 4.3580 4.3708 4.8126 4.8262 4.9408 4.9848 7.6510 7.6795 7.7238 7.7683 8.4601 8.5037 8.8430 8.9229 8.9341 8.9677 k =-0.2113 0.2807 0.7156 ( 8349 PWs) bands (ev): -5.8646 -5.8634 -5.7723 -5.7716 -5.5624 -5.5609 -5.4123 -5.4090 -0.2198 -0.1595 -0.0988 -0.0399 0.8030 0.8139 0.8943 0.9253 0.9931 1.0430 1.0867 1.1192 1.2662 1.3155 1.3391 1.3999 1.4194 1.4997 1.6069 1.6121 1.6499 1.7848 1.8305 1.8574 2.0520 2.1472 2.1782 2.3160 2.7139 2.8624 3.0106 3.0722 3.4851 3.5742 3.6516 3.7155 4.1473 4.2147 4.3059 4.3261 4.8123 4.8260 4.9567 5.0019 7.6907 7.7318 7.7720 7.8144 8.3868 8.4247 8.8083 8.8916 8.9386 8.9749 k =-0.2213 0.2940 0.6990 ( 8349 PWs) bands (ev): -5.8732 -5.8722 -5.7738 -5.7729 -5.5679 -5.5664 -5.3973 -5.3938 -0.2251 -0.1650 -0.0905 -0.0330 0.8074 0.8183 0.8978 0.9327 0.9908 1.0456 1.0874 1.1314 1.2505 1.3183 1.3365 1.4020 1.4070 1.5127 1.6085 1.6298 1.6693 1.7982 1.8555 1.8820 2.0667 2.1515 2.2038 2.3370 2.7036 2.8387 3.0136 3.0654 3.4600 3.5385 3.6312 3.6888 4.0817 4.1550 4.2533 4.2856 4.8135 4.8268 4.9738 5.0204 7.7222 7.7796 7.8164 7.8569 8.3224 8.3545 8.7739 8.8491 8.9608 8.9907 k =-0.2312 0.3072 0.6825 ( 8351 PWs) bands (ev): -5.8812 -5.8803 -5.7756 -5.7745 -5.5729 -5.5714 -5.3832 -5.3794 -0.2299 -0.1700 -0.0829 -0.0269 0.8127 0.8234 0.9007 0.9390 0.9875 1.0462 1.0878 1.1439 1.2362 1.3205 1.3345 1.3959 1.4037 1.5249 1.6102 1.6462 1.6897 1.8100 1.8834 1.9051 2.0824 2.1566 2.2297 2.3572 2.6975 2.8162 3.0121 3.0595 3.4372 3.5009 3.6044 3.6659 4.0176 4.0973 4.2030 4.2496 4.8155 4.8279 4.9915 5.0398 7.7429 7.8115 7.8594 7.8990 8.2687 8.2967 8.7412 8.8079 8.9910 9.0156 k =-0.2412 0.3204 0.6659 ( 8354 PWs) bands (ev): -5.8884 -5.8876 -5.7775 -5.7763 -5.5774 -5.5759 -5.3700 -5.3661 -0.2343 -0.1747 -0.0760 -0.0217 0.8187 0.8291 0.9031 0.9443 0.9831 1.0451 1.0881 1.1562 1.2236 1.3213 1.3339 1.3871 1.4046 1.5356 1.6122 1.6612 1.7106 1.8206 1.9133 1.9257 2.0992 2.1623 2.2549 2.3757 2.6957 2.7968 3.0075 3.0543 3.4154 3.4608 3.5712 3.6463 3.9573 4.0433 4.1568 4.2183 4.8177 4.8291 5.0090 5.0594 7.7511 7.8188 7.9047 7.9415 8.2262 8.2548 8.7111 8.7692 9.0294 9.0499 k =-0.2511 0.3337 0.6494 ( 8357 PWs) bands (ev): -5.8948 -5.8941 -5.7793 -5.7780 -5.5815 -5.5800 -5.3579 -5.3539 -0.2382 -0.1788 -0.0698 -0.0172 0.8251 0.8355 0.9052 0.9485 0.9775 1.0425 1.0883 1.1676 1.2130 1.3206 1.3344 1.3807 1.4051 1.5446 1.6146 1.6748 1.7314 1.8306 1.9400 1.9474 2.1169 2.1677 2.2784 2.3916 2.6986 2.7823 3.0017 3.0497 3.3927 3.4182 3.5352 3.6265 3.9031 3.9949 4.1161 4.1918 4.8200 4.8302 5.0259 5.0787 7.7466 7.8066 7.9480 7.9830 8.1949 8.2288 8.6844 8.7338 9.0758 9.0936 k =-0.2611 0.3469 0.6328 ( 8361 PWs) bands (ev): -5.9005 -5.8998 -5.7811 -5.7797 -5.5850 -5.5835 -5.3472 -5.3430 -0.2417 -0.1825 -0.0643 -0.0135 0.8318 0.8424 0.9068 0.9517 0.9709 1.0389 1.0885 1.1772 1.2049 1.3196 1.3346 1.3772 1.4053 1.5519 1.6171 1.6868 1.7515 1.8400 1.9539 1.9789 2.1349 2.1720 2.2993 2.4037 2.7062 2.7748 2.9957 3.0462 3.3647 3.3758 3.5000 3.6039 3.8567 3.9532 4.0819 4.1697 4.8220 4.8310 5.0418 5.0971 7.7315 7.7823 7.9862 8.0220 8.1744 8.2141 8.6613 8.7024 9.1291 9.1457 k =-0.2710 0.3601 0.6163 ( 8355 PWs) bands (ev): -5.9052 -5.9047 -5.7827 -5.7812 -5.5881 -5.5865 -5.3379 -5.3336 -0.2447 -0.1856 -0.0597 -0.0105 0.8384 0.8499 0.9081 0.9538 0.9637 1.0347 1.0888 1.1834 1.2002 1.3190 1.3337 1.3764 1.4051 1.5577 1.6195 1.6970 1.7702 1.8490 1.9636 2.0115 2.1509 2.1757 2.3170 2.4113 2.7183 2.7753 2.9900 3.0445 3.3218 3.3431 3.4672 3.5790 3.8193 3.9190 4.0545 4.1517 4.8239 4.8315 5.0561 5.1139 7.7101 7.7527 8.0174 8.0574 8.1630 8.2061 8.6422 8.6752 9.1879 9.2049 k =-0.2810 0.3733 0.5997 ( 8353 PWs) bands (ev): -5.9092 -5.9087 -5.7841 -5.7825 -5.5906 -5.5890 -5.3302 -5.3257 -0.2472 -0.1883 -0.0558 -0.0081 0.8445 0.8578 0.9089 0.9530 0.9581 1.0303 1.0891 1.1841 1.2009 1.3190 1.3318 1.3775 1.4047 1.5621 1.6218 1.7053 1.7869 1.8573 1.9707 2.0432 2.1590 2.1824 2.3312 2.4146 2.7343 2.7835 2.9852 3.0448 3.2749 3.3119 3.4375 3.5538 3.7908 3.8920 4.0338 4.1375 4.8255 4.8317 5.0685 5.1287 7.6867 7.7232 8.0413 8.0879 8.1582 8.2014 8.6270 8.6526 9.2500 9.2685 k =-0.2909 0.3866 0.5831 ( 8355 PWs) bands (ev): -5.9122 -5.9119 -5.7852 -5.7836 -5.5925 -5.5910 -5.3240 -5.3195 -0.2492 -0.1903 -0.0528 -0.0063 0.8497 0.8660 0.9092 0.9465 0.9575 1.0264 1.0895 1.1818 1.2042 1.3196 1.3296 1.3796 1.4042 1.5654 1.6237 1.7118 1.8007 1.8644 1.9763 2.0726 2.1578 2.1923 2.3422 2.4143 2.7531 2.7962 2.9826 3.0461 3.2310 3.2804 3.4115 3.5314 3.7704 3.8716 4.0191 4.1268 4.8268 4.8317 5.0786 5.1408 7.6650 7.6973 8.0585 8.1115 8.1588 8.1980 8.6158 8.6345 9.3123 9.3334 k =-0.3009 0.3998 0.5666 ( 8359 PWs) bands (ev): -5.9144 -5.9142 -5.7860 -5.7844 -5.5939 -5.5924 -5.3196 -5.3150 -0.2506 -0.1918 -0.0506 -0.0051 0.8538 0.8738 0.9086 0.9399 0.9576 1.0232 1.0897 1.1796 1.2071 1.3206 1.3276 1.3816 1.4036 1.5676 1.6252 1.7164 1.8111 1.8698 1.9809 2.0982 2.1521 2.1999 2.3503 2.4120 2.7730 2.8082 2.9851 3.0447 3.1961 3.2508 3.3908 3.5141 3.7569 3.8573 4.0095 4.1193 4.8279 4.8314 5.0861 5.1499 7.6477 7.6775 8.0697 8.1259 8.1646 8.1945 8.6086 8.6209 9.3696 9.3943 k =-0.3109 0.4130 0.5500 ( 8352 PWs) bands (ev): -5.9157 -5.9156 -5.7865 -5.7848 -5.5948 -5.5932 -5.3170 -5.3123 -0.2514 -0.1927 -0.0493 -0.0044 0.8564 0.8802 0.9072 0.9352 0.9575 1.0212 1.0900 1.1781 1.2089 1.3214 1.3262 1.3831 1.4031 1.5689 1.6261 1.7192 1.8176 1.8732 1.9843 2.1182 2.1447 2.2036 2.3557 2.4094 2.7910 2.8137 2.9951 3.0354 3.1768 3.2273 3.3773 3.5031 3.7493 3.8488 4.0042 4.1149 4.8288 4.8311 5.0907 5.1554 7.6366 7.6651 8.0759 8.1321 8.1740 8.1899 8.6052 8.6119 9.4137 9.4341 k =-0.3208 0.4262 0.5335 ( 8351 PWs) bands (ev): -5.9161 -5.9161 -5.7867 -5.7850 -5.5951 -5.5935 -5.3161 -5.3114 -0.2517 -0.1930 -0.0488 -0.0041 0.8573 0.8829 0.9063 0.9335 0.9574 1.0205 1.0900 1.1776 1.2095 1.3218 1.3257 1.3836 1.4029 1.5693 1.6264 1.7201 1.8198 1.8743 1.9856 2.1288 2.1385 2.2045 2.3577 2.4082 2.8004 2.8127 3.0065 3.0239 3.1723 3.2174 3.3727 3.4994 3.7469 3.8460 4.0025 4.1135 4.8292 4.8309 5.0922 5.1573 7.6328 7.6610 8.0779 8.1336 8.1823 8.1838 8.6049 8.6081 9.4338 9.4395 k =-0.3208 0.4262 0.5335 ( 8351 PWs) bands (ev): -5.9161 -5.9161 -5.7867 -5.7850 -5.5951 -5.5935 -5.3161 -5.3114 -0.2517 -0.1930 -0.0488 -0.0041 0.8573 0.8829 0.9063 0.9335 0.9574 1.0205 1.0900 1.1776 1.2095 1.3218 1.3257 1.3836 1.4029 1.5693 1.6264 1.7201 1.8198 1.8743 1.9856 2.1288 2.1385 2.2045 2.3577 2.4082 2.8004 2.8127 3.0065 3.0239 3.1723 3.2174 3.3727 3.4994 3.7469 3.8460 4.0025 4.1135 4.8292 4.8309 5.0922 5.1573 7.6328 7.6610 8.0779 8.1336 8.1823 8.1838 8.6049 8.6081 9.4338 9.4395 k =-0.3111 0.4133 0.5173 ( 8359 PWs) bands (ev): -5.9267 -5.9267 -5.7699 -5.7681 -5.6021 -5.6004 -5.3134 -5.3087 -0.2571 -0.1984 -0.0336 0.0135 0.8524 0.8760 0.9013 0.9367 0.9620 1.0258 1.0852 1.1743 1.2105 1.3064 1.3240 1.3875 1.4145 1.5690 1.6190 1.7125 1.8196 1.8729 1.9627 2.1083 2.1180 2.1952 2.4010 2.4489 2.8004 2.8207 2.9928 3.0344 3.1389 3.1959 3.3193 3.4475 3.7238 3.8630 3.9880 4.1370 4.8372 4.8441 5.1095 5.1736 7.6566 7.6916 8.0965 8.1520 8.1945 8.2002 8.6670 8.6697 9.5330 9.5377 k =-0.3014 0.4004 0.5011 ( 8367 PWs) bands (ev): -5.9409 -5.9408 -5.7526 -5.7507 -5.6055 -5.6037 -5.3108 -5.3059 -0.2636 -0.2053 -0.0183 0.0312 0.8429 0.8675 0.8992 0.9409 0.9652 1.0331 1.0806 1.1675 1.2066 1.3038 1.3210 1.3925 1.4247 1.5672 1.6151 1.7034 1.8193 1.8698 1.9428 2.0898 2.0974 2.1803 2.4460 2.4967 2.7989 2.8263 2.9790 3.0369 3.1101 3.1750 3.2669 3.3962 3.7088 3.8835 3.9804 4.1652 4.8390 4.8514 5.1216 5.1852 7.6803 7.7225 8.1140 8.1706 8.2037 8.2185 8.7251 8.7275 9.6337 9.6391 k =-0.2916 0.3875 0.4850 ( 8347 PWs) bands (ev): -5.9582 -5.9581 -5.7348 -5.7329 -5.6055 -5.6036 -5.3081 -5.3031 -0.2711 -0.2136 -0.0028 0.0491 0.8303 0.8581 0.9001 0.9447 0.9675 1.0412 1.0769 1.1564 1.2012 1.3122 1.3166 1.3988 1.4338 1.5627 1.6156 1.6927 1.8189 1.8642 1.9274 2.0733 2.0769 2.1624 2.4904 2.5478 2.7961 2.8290 2.9678 3.0318 3.0863 3.1539 3.2165 3.3460 3.7027 3.9061 3.9804 4.1977 4.8340 4.8525 5.1286 5.1925 7.7037 7.7533 8.1315 8.1906 8.2132 8.2383 8.7787 8.7806 9.7277 9.7362 k =-0.2819 0.3746 0.4688 ( 8357 PWs) bands (ev): -5.9784 -5.9783 -5.7167 -5.7147 -5.6023 -5.6004 -5.3053 -5.3003 -0.2798 -0.2233 0.0128 0.0672 0.8162 0.8481 0.9028 0.9472 0.9689 1.0485 1.0746 1.1420 1.1977 1.3106 1.3275 1.4060 1.4416 1.5561 1.6198 1.6803 1.8183 1.8560 1.9168 2.0566 2.0584 2.1432 2.5314 2.5983 2.7918 2.8282 2.9617 3.0227 3.0662 3.1323 3.1698 3.2975 3.7052 3.9276 3.9897 4.2341 4.8222 4.8471 5.1304 5.1960 7.7268 7.7835 8.1501 8.2131 8.2244 8.2605 8.8271 8.8286 9.7808 9.7979 k =-0.2722 0.3617 0.4526 ( 8347 PWs) bands (ev): -6.0009 -6.0007 -5.6983 -5.6962 -5.5966 -5.5946 -5.3026 -5.2975 -0.2897 -0.2345 0.0286 0.0854 0.8020 0.8382 0.9062 0.9482 0.9696 1.0533 1.0743 1.1279 1.1965 1.3032 1.3471 1.4136 1.4484 1.5491 1.6268 1.6661 1.8175 1.8465 1.9102 2.0367 2.0449 2.1236 2.5660 2.6436 2.7861 2.8234 2.9622 3.0168 3.0474 3.1104 3.1296 3.2514 3.7151 3.9448 4.0103 4.2742 4.8036 4.8352 5.1275 5.1963 7.7497 7.8128 8.1707 8.2367 8.2404 8.2854 8.8702 8.8712 9.7557 9.7783 k =-0.2625 0.3487 0.4365 ( 8355 PWs) bands (ev): -6.0250 -6.0249 -5.6796 -5.6775 -5.5887 -5.5867 -5.2998 -5.2947 -0.3007 -0.2471 0.0446 0.1038 0.7884 0.8288 0.9098 0.9480 0.9695 1.0537 1.0760 1.1168 1.1974 1.2944 1.3689 1.4203 1.4547 1.5431 1.6356 1.6505 1.8167 1.8373 1.9058 2.0174 2.0321 2.1044 2.5906 2.6778 2.7788 2.8150 2.9663 3.0201 3.0304 3.0883 3.1030 3.2085 3.7307 3.9570 4.0409 4.3176 4.7783 4.8168 5.1204 5.1944 7.7728 7.8410 8.1938 8.2548 8.2690 8.3129 8.9078 8.9082 9.6868 9.7107 k =-0.2528 0.3358 0.4203 ( 8357 PWs) bands (ev): -6.0505 -6.0503 -5.6607 -5.6586 -5.5791 -5.5772 -5.2970 -5.2919 -0.3129 -0.2611 0.0608 0.1224 0.7760 0.8203 0.9128 0.9471 0.9686 1.0488 1.0797 1.1102 1.2002 1.2843 1.3908 1.4248 1.4617 1.5393 1.6339 1.6461 1.8160 1.8293 1.9024 1.9990 2.0194 2.0862 2.6030 2.6954 2.7693 2.8037 2.9632 3.0074 3.0461 3.0683 3.1009 3.1703 3.7501 3.9657 4.0784 4.3642 4.7465 4.7920 5.1099 5.1914 7.7962 7.8682 8.2198 8.2756 8.3023 8.3425 8.9393 8.9399 9.5957 9.6207 k =-0.2430 0.3229 0.4042 ( 8353 PWs) bands (ev): -6.0767 -6.0766 -5.6417 -5.6396 -5.5682 -5.5662 -5.2943 -5.2892 -0.3261 -0.2763 0.0773 0.1413 0.7651 0.8130 0.9148 0.9464 0.9667 1.0401 1.0849 1.1070 1.2047 1.2731 1.4092 1.4260 1.4722 1.5385 1.6172 1.6581 1.8156 1.8229 1.8991 1.9816 2.0064 2.0697 2.6033 2.6959 2.7568 2.7902 2.9464 2.9885 3.0507 3.0834 3.1292 3.1409 3.7715 3.9714 4.1205 4.4137 4.7087 4.7612 5.0969 5.1887 7.8203 7.8944 8.2486 8.2993 8.3394 8.3734 8.9647 8.9666 9.4909 9.5169 k =-0.2333 0.3100 0.3880 ( 8341 PWs) bands (ev): -6.1034 -6.1033 -5.6227 -5.6205 -5.5563 -5.5543 -5.2915 -5.2865 -0.3403 -0.2927 0.0941 0.1605 0.7560 0.8073 0.9150 0.9469 0.9636 1.0299 1.0913 1.1049 1.2110 1.2612 1.4200 1.4234 1.4886 1.5403 1.6016 1.6716 1.8159 1.8181 1.8956 1.9657 1.9924 2.0552 2.5932 2.6836 2.7404 2.7749 2.9232 2.9701 3.0358 3.0958 3.1577 3.1794 3.7932 3.9735 4.1661 4.4658 4.6655 4.7249 5.0826 5.1877 7.8450 7.9197 8.2795 8.3250 8.3802 8.4045 8.9845 8.9887 9.3776 9.4043 k =-0.2236 0.2971 0.3718 ( 8343 PWs) bands (ev): -6.1303 -6.1302 -5.6037 -5.6015 -5.5437 -5.5417 -5.2888 -5.2838 -0.3555 -0.3100 0.1113 0.1799 0.7487 0.8035 0.9136 0.9487 0.9594 1.0198 1.0985 1.1026 1.2185 1.2485 1.4178 1.4233 1.5077 1.5438 1.5901 1.6861 1.8147 1.8174 1.8917 1.9514 1.9775 2.0428 2.5753 2.6634 2.7200 2.7577 2.8995 2.9526 3.0241 3.0783 3.2212 3.2423 3.8139 3.9711 4.2144 4.5203 4.6175 4.6838 5.0683 5.1894 7.8700 7.9440 8.3117 8.3508 8.4240 8.4344 8.9995 9.0070 9.2593 9.2863 k =-0.2139 0.2842 0.3557 ( 8333 PWs) bands (ev): -6.1571 -6.1570 -5.5849 -5.5826 -5.5305 -5.5285 -5.2862 -5.2813 -0.3714 -0.3283 0.1288 0.1997 0.7435 0.8017 0.9110 0.9517 0.9540 1.0107 1.0998 1.1062 1.2270 1.2356 1.4098 1.4213 1.5193 1.5475 1.5898 1.7007 1.8124 1.8210 1.8874 1.9394 1.9621 2.0319 2.5521 2.6385 2.6962 2.7390 2.8776 2.9360 3.0160 3.0640 3.2945 3.3132 3.8322 3.9638 4.2647 4.5639 4.5786 4.6390 5.0554 5.1952 7.8948 7.9670 8.3435 8.3749 8.4617 8.4703 9.0109 9.0232 9.1390 9.1658 k =-0.2042 0.2712 0.3395 ( 8321 PWs) bands (ev): -6.1837 -6.1836 -5.5661 -5.5639 -5.5170 -5.5150 -5.2836 -5.2787 -0.3880 -0.3472 0.1467 0.2198 0.7404 0.8021 0.9082 0.9475 0.9553 1.0029 1.0964 1.1139 1.2228 1.2362 1.4005 1.4160 1.5163 1.5504 1.6058 1.7140 1.8110 1.8279 1.8825 1.9301 1.9467 2.0220 2.5257 2.6112 2.6697 2.7191 2.8576 2.9203 3.0117 3.0556 3.3720 3.3892 3.8474 3.9512 4.3157 4.5100 4.5920 4.6362 5.0450 5.2056 7.9181 7.9874 8.3721 8.3949 8.4852 8.5181 9.0149 9.0156 9.0434 9.0512 k =-0.1944 0.2583 0.3233 ( 8325 PWs) bands (ev): -6.2098 -6.2097 -5.5477 -5.5455 -5.5033 -5.5014 -5.2811 -5.2763 -0.4052 -0.3667 0.1651 0.2403 0.7391 0.8048 0.9057 0.9401 0.9592 0.9964 1.0924 1.1209 1.2105 1.2455 1.3904 1.4082 1.5048 1.5519 1.6298 1.7242 1.8099 1.8390 1.8772 1.9248 1.9324 2.0126 2.4976 2.5829 2.6413 2.6985 2.8391 2.9055 3.0109 3.0530 3.4508 3.4679 3.8592 3.9339 4.3643 4.4533 4.5469 4.6967 5.0384 5.2213 7.9380 8.0034 8.3935 8.4090 8.5048 8.5659 8.9010 8.9206 9.0382 9.0611 k =-0.1847 0.2454 0.3072 ( 8325 PWs) bands (ev): -6.2353 -6.2352 -5.5296 -5.5274 -5.4895 -5.4877 -5.2786 -5.2740 -0.4227 -0.3865 0.1840 0.2611 0.7397 0.8098 0.9040 0.9321 0.9631 0.9910 1.0880 1.1266 1.1997 1.2546 1.3801 1.3984 1.4909 1.5518 1.6546 1.7305 1.8085 1.8533 1.8710 1.9205 1.9250 2.0033 2.4693 2.5544 2.6118 2.6778 2.8215 2.8914 3.0136 3.0554 3.5281 3.5473 3.8676 3.9127 4.3964 4.3979 4.5171 4.7587 5.0364 5.2421 7.9515 8.0120 8.4022 8.4152 8.5203 8.6113 8.7921 8.8068 9.0538 9.0858 k =-0.1750 0.2325 0.2910 ( 8321 PWs) bands (ev): -6.2600 -6.2599 -5.5118 -5.5097 -5.4759 -5.4741 -5.2762 -5.2717 -0.4404 -0.4065 0.2033 0.2823 0.7417 0.8170 0.9035 0.9237 0.9668 0.9866 1.0835 1.1295 1.1915 1.2630 1.3698 1.3872 1.4767 1.5500 1.6768 1.7332 1.8062 1.8641 1.8664 1.9150 1.9320 1.9941 2.4415 2.5265 2.5822 2.6575 2.8044 2.8781 3.0195 3.0620 3.6001 3.6239 3.8740 3.8900 4.3420 4.3881 4.5325 4.8219 5.0397 5.2679 7.9550 8.0091 8.3924 8.4104 8.5284 8.6502 8.6993 8.7038 9.0759 9.1160 k =-0.1653 0.2196 0.2748 ( 8325 PWs) bands (ev): -6.2839 -6.2839 -5.4946 -5.4925 -5.4624 -5.4606 -5.2739 -5.2696 -0.4581 -0.4265 0.2231 0.3037 0.7451 0.8263 0.9046 0.9152 0.9703 0.9832 1.0788 1.1283 1.1872 1.2701 1.3596 1.3749 1.4629 1.5466 1.6954 1.7333 1.8022 1.8568 1.8698 1.9224 1.9460 1.9850 2.4150 2.4995 2.5530 2.6380 2.7874 2.8656 3.0282 3.0722 3.6611 3.6905 3.8715 3.8802 4.2944 4.3500 4.5802 4.8858 5.0487 5.2982 7.9442 7.9910 8.3560 8.3852 8.5231 8.6253 8.6362 8.6761 9.1042 9.1382 k =-0.1555 0.2067 0.2587 ( 8319 PWs) bands (ev): -6.3069 -6.3068 -5.4779 -5.4758 -5.4492 -5.4475 -5.2717 -5.2675 -0.4757 -0.4463 0.2435 0.3253 0.7493 0.8375 0.9068 0.9075 0.9735 0.9809 1.0742 1.1228 1.1871 1.2751 1.3499 1.3625 1.4498 1.5417 1.7101 1.7315 1.7960 1.8502 1.8647 1.9383 1.9659 1.9783 2.3901 2.4738 2.5247 2.6194 2.7706 2.8540 3.0393 3.0851 3.7036 3.7300 3.8714 3.8870 4.2609 4.3105 4.6374 4.9499 5.0637 5.3323 7.9159 7.9550 8.2890 8.3265 8.5052 8.5895 8.6047 8.6771 9.0996 9.1279 k =-0.1458 0.1937 0.2425 ( 8315 PWs) bands (ev): -6.3288 -6.3288 -5.4618 -5.4598 -5.4364 -5.4348 -5.2696 -5.2656 -0.4930 -0.4658 0.2643 0.3472 0.7540 0.8502 0.8985 0.9127 0.9763 0.9799 1.0697 1.1146 1.1895 1.2767 1.3406 1.3508 1.4377 1.5353 1.7217 1.7285 1.7874 1.8451 1.8576 1.9461 1.9826 1.9898 2.3670 2.4494 2.4977 2.6015 2.7543 2.8434 3.0525 3.0999 3.7240 3.7290 3.8882 3.8967 4.2525 4.2829 4.6981 5.0126 5.0852 5.3695 7.8691 7.9013 8.2016 8.2408 8.4728 8.5911 8.5960 8.6440 9.0712 9.1067 k =-0.1361 0.1808 0.2263 ( 8315 PWs) bands (ev): -6.3496 -6.3496 -5.4464 -5.4445 -5.4240 -5.4225 -5.2676 -5.2638 -0.5099 -0.4848 0.2855 0.3690 0.7587 0.8634 0.8909 0.9204 0.9785 0.9806 1.0654 1.1052 1.1927 1.2737 1.3319 1.3412 1.4267 1.5277 1.7250 1.7309 1.7770 1.8416 1.8510 1.9399 2.0007 2.0157 2.3460 2.4265 2.4721 2.5839 2.7393 2.8342 3.0671 3.1161 3.7057 3.7266 3.8732 3.9195 4.2766 4.2799 4.7608 5.0696 5.1170 5.4088 7.8054 7.8320 8.1064 8.1445 8.4186 8.5765 8.6087 8.6173 9.0645 9.1065 k =-0.1264 0.1679 0.2102 ( 8317 PWs) bands (ev): -6.3693 -6.3692 -5.4317 -5.4299 -5.4122 -5.4107 -5.2657 -5.2621 -0.5261 -0.5031 0.3071 0.3909 0.7633 0.8735 0.8869 0.9304 0.9802 0.9837 1.0615 1.0958 1.1956 1.2657 1.3238 1.3339 1.4169 1.5189 1.7213 1.7371 1.7670 1.8397 1.8455 1.9288 2.0220 2.0419 2.3268 2.4051 2.4481 2.5656 2.7267 2.8265 3.0828 3.1330 3.6752 3.7186 3.8404 3.9183 4.3089 4.3290 4.8249 5.1131 5.1658 5.4496 7.7277 7.7500 8.0103 8.0465 8.3479 8.4936 8.6373 8.6521 9.0727 9.1239 k =-0.1167 0.1550 0.1940 ( 8321 PWs) bands (ev): -6.3877 -6.3876 -5.4179 -5.4162 -5.4009 -5.3996 -5.2639 -5.2606 -0.5416 -0.5206 0.3291 0.4125 0.7675 0.8709 0.8949 0.9427 0.9811 0.9900 1.0581 1.0873 1.1976 1.2535 1.3165 1.3283 1.4083 1.5090 1.7178 1.7354 1.7639 1.8390 1.8414 1.9165 2.0422 2.0669 2.3094 2.3852 2.4255 2.5454 2.7181 2.8207 3.0989 3.1497 3.6429 3.7047 3.7967 3.8951 4.3641 4.3988 4.8902 5.1485 5.2254 5.4909 7.6391 7.6582 7.9165 7.9507 8.2692 8.4023 8.6754 8.6949 9.0879 9.1471 k =-0.1069 0.1421 0.1778 ( 8319 PWs) bands (ev): -6.4048 -6.4047 -5.4049 -5.4033 -5.3903 -5.3891 -5.2622 -5.2591 -0.5563 -0.5372 0.3513 0.4337 0.7712 0.8641 0.9053 0.9567 0.9813 1.0004 1.0553 1.0803 1.1984 1.2388 1.3099 1.3228 1.4009 1.4980 1.7147 1.7244 1.7701 1.8384 1.8392 1.9038 2.0603 2.0898 2.2939 2.3668 2.4042 2.5224 2.7145 2.8170 3.1150 3.1657 3.6106 3.6875 3.7490 3.8602 4.4337 4.4775 4.9567 5.1833 5.2873 5.5320 7.5427 7.5594 7.8269 7.8589 8.1885 8.3096 8.7193 8.7419 9.1045 9.1680 k =-0.0972 0.1292 0.1617 ( 8323 PWs) bands (ev): -6.4205 -6.4205 -5.3929 -5.3915 -5.3803 -5.3793 -5.2606 -5.2578 -0.5700 -0.5528 0.3735 0.4543 0.7745 0.8570 0.9135 0.9708 0.9814 1.0145 1.0540 1.0757 1.1978 1.2229 1.3041 1.3167 1.3944 1.4858 1.7102 1.7119 1.7803 1.8366 1.8401 1.8915 2.0758 2.1098 2.2800 2.3496 2.3841 2.4961 2.7165 2.8156 3.1306 3.1802 3.5792 3.6661 3.7042 3.8213 4.5093 4.5595 5.0244 5.2196 5.3489 5.5720 7.4407 7.4557 7.7425 7.7722 8.1092 8.2191 8.7663 8.7909 9.1186 9.1822 k =-0.0875 0.1162 0.1455 ( 8317 PWs) bands (ev): -6.4349 -6.4349 -5.3819 -5.3806 -5.3711 -5.3702 -5.2592 -5.2566 -0.5826 -0.5673 0.3958 0.4740 0.7775 0.8500 0.9192 0.9759 0.9890 1.0290 1.0571 1.0744 1.1958 1.2069 1.2993 1.3096 1.3884 1.4726 1.6955 1.7091 1.7921 1.8357 1.8416 1.8804 2.0888 2.1268 2.2678 2.3335 2.3651 2.4668 2.7238 2.8165 3.1453 3.1926 3.5490 3.6333 3.6732 3.7831 4.5858 4.6413 5.0936 5.2581 5.4089 5.6103 7.3354 7.3490 7.6641 7.6914 8.0339 8.1330 8.8144 8.8401 9.1282 9.1875 k =-0.0778 0.1033 0.1293 ( 8317 PWs) bands (ev): -6.4479 -6.4479 -5.3720 -5.3709 -5.3627 -5.3619 -5.2579 -5.2556 -0.5941 -0.5806 0.4178 0.4924 0.7802 0.8433 0.9230 0.9735 1.0010 1.0358 1.0714 1.0778 1.1918 1.1927 1.2954 1.3017 1.3827 1.4584 1.6810 1.7056 1.8048 1.8355 1.8436 1.8714 2.0996 2.1406 2.2574 2.3182 2.3473 2.4350 2.7353 2.8194 3.1587 3.2022 3.5200 3.5920 3.6554 3.7482 4.6602 4.7197 5.1643 5.2992 5.4668 5.6461 7.2286 7.2411 7.5925 7.6172 7.9641 8.0526 8.8621 8.8879 9.1326 9.1844 k =-0.0681 0.0904 0.1132 ( 8317 PWs) bands (ev): -6.4594 -6.4594 -5.3631 -5.3623 -5.3550 -5.3545 -5.2567 -5.2547 -0.6043 -0.5925 0.4393 0.5093 0.7829 0.8370 0.9256 0.9697 1.0099 1.0360 1.0866 1.0942 1.1785 1.1887 1.2928 1.2931 1.3768 1.4433 1.6675 1.7005 1.8175 1.8360 1.8464 1.8651 2.1086 2.1516 2.2490 2.3032 2.3306 2.4017 2.7499 2.8240 3.1705 3.2088 3.4923 3.5514 3.6434 3.7182 4.7302 4.7922 5.2364 5.3433 5.5219 5.6786 7.1220 7.1337 7.5281 7.5501 7.9010 7.9789 8.9080 8.9327 9.1320 9.1747 k =-0.0583 0.0775 0.0970 ( 8313 PWs) bands (ev): -6.4694 -6.4694 -5.3555 -5.3548 -5.3483 -5.3479 -5.2557 -5.2539 -0.6131 -0.6031 0.4601 0.5242 0.7855 0.8310 0.9276 0.9652 1.0149 1.0342 1.1000 1.1189 1.1689 1.1844 1.2841 1.2916 1.3704 1.4272 1.6553 1.6932 1.8288 1.8373 1.8506 1.8619 2.1168 2.1601 2.2429 2.2884 2.3154 2.3678 2.7662 2.8296 3.1805 3.2123 3.4664 3.5146 3.6349 3.6936 4.7941 4.8563 5.3092 5.3905 5.5737 5.7073 7.0177 7.0286 7.4714 7.4907 7.8454 7.9128 8.9510 8.9733 9.1276 9.1611 k =-0.0486 0.0646 0.0808 ( 8325 PWs) bands (ev): -6.4780 -6.4780 -5.3490 -5.3485 -5.3424 -5.3422 -5.2548 -5.2533 -0.6206 -0.6123 0.4799 0.5366 0.7881 0.8255 0.9292 0.9603 1.0172 1.0315 1.1155 1.1368 1.1698 1.1805 1.2750 1.2919 1.3635 1.4102 1.6447 1.6836 1.8368 1.8394 1.8571 1.8616 2.1248 2.1665 2.2393 2.2733 2.3018 2.3343 2.7830 2.8354 3.1887 3.2131 3.4430 3.4825 3.6293 3.6743 4.8507 4.9100 5.3814 5.4400 5.6219 5.7316 6.9180 6.9281 7.4230 7.4392 7.7983 7.8548 8.9899 9.0082 9.1206 9.1466 k =-0.0389 0.0517 0.0647 ( 8321 PWs) bands (ev): -6.4850 -6.4850 -5.3437 -5.3435 -5.3374 -5.3374 -5.2540 -5.2528 -0.6267 -0.6201 0.4983 0.5461 0.7908 0.8203 0.9307 0.9555 1.0179 1.0285 1.1298 1.1392 1.1788 1.1889 1.2663 1.2939 1.3559 1.3921 1.6364 1.6722 1.8415 1.8420 1.8638 1.8652 2.1336 2.1716 2.2383 2.2582 2.2897 2.3019 2.7991 2.8407 3.1950 3.2121 3.4230 3.4552 3.6263 3.6598 4.8993 4.9522 5.4506 5.4898 5.6658 5.7511 6.8257 6.8348 7.3831 7.3962 7.7600 7.8056 9.0237 9.0362 9.1125 9.1335 k =-0.0292 0.0387 0.0485 ( 8323 PWs) bands (ev): -6.4904 -6.4904 -5.3397 -5.3395 -5.3335 -5.3335 -5.2534 -5.2525 -0.6312 -0.6263 0.5148 0.5523 0.7937 0.8155 0.9324 0.9509 1.0179 1.0253 1.1371 1.1390 1.1820 1.2127 1.2596 1.2979 1.3475 1.3729 1.6306 1.6603 1.8443 1.8443 1.8678 1.8728 2.1439 2.1765 2.2395 2.2435 2.2716 2.2790 2.8137 2.8447 3.1995 3.2100 3.4076 3.4329 3.6254 3.6490 4.9394 4.9823 5.5129 5.5364 5.7048 5.7658 6.7449 6.7526 7.3521 7.3620 7.7310 7.7654 9.0515 9.0563 9.1048 9.1237 k =-0.0194 0.0258 0.0323 ( 8329 PWs) bands (ev): -6.4943 -6.4943 -5.3368 -5.3367 -5.3307 -5.3307 -5.2529 -5.2523 -0.6343 -0.6310 0.5291 0.5549 0.7967 0.8111 0.9343 0.9466 1.0178 1.0224 1.1360 1.1416 1.1910 1.2270 1.2629 1.3037 1.3385 1.3522 1.6278 1.6489 1.8460 1.8461 1.8727 1.8781 2.1561 2.1817 2.2297 2.2410 2.2459 2.2695 2.8261 2.8466 3.2023 3.2079 3.3976 3.4154 3.6261 3.6411 4.9706 5.0009 5.5633 5.5750 5.7375 5.7755 6.6806 6.6864 7.3302 7.3369 7.7118 7.7349 9.0683 9.0714 9.0996 9.1178 k =-0.0097 0.0129 0.0162 ( 8333 PWs) bands (ev): -6.4967 -6.4967 -5.3351 -5.3351 -5.3290 -5.3290 -5.2525 -5.2522 -0.6358 -0.6342 0.5406 0.5538 0.7999 0.8071 0.9367 0.9428 1.0179 1.0202 1.1365 1.1403 1.2027 1.2239 1.2825 1.3111 1.3291 1.3300 1.6283 1.6392 1.8470 1.8471 1.8772 1.8806 2.1704 2.1866 2.2178 2.2212 2.2479 2.2612 2.8357 2.8459 3.2040 3.2062 3.3935 3.4028 3.6280 3.6354 4.9927 5.0083 5.5964 5.6007 5.7618 5.7795 6.6390 6.6421 7.3177 7.3211 7.7025 7.7141 9.0744 9.0791 9.1019 9.1139 k = 0.0000 0.0000 0.0000 ( 8341 PWs) bands (ev): -6.4975 -6.4975 -5.3345 -5.3345 -5.3285 -5.3285 -5.2523 -5.2523 -0.6358 -0.6358 0.5489 0.5489 0.8034 0.8034 0.9395 0.9395 1.0186 1.0186 1.1381 1.1381 1.2142 1.2142 1.3064 1.3064 1.3198 1.3198 1.6322 1.6322 1.8474 1.8474 1.8801 1.8801 2.1841 2.1841 2.2113 2.2113 2.2540 2.2540 2.8424 2.8424 3.2050 3.2050 3.3953 3.3953 3.6311 3.6311 5.0054 5.0054 5.6088 5.6088 5.7757 5.7757 6.6255 6.6255 7.3147 7.3147 7.7033 7.7033 9.0778 9.0778 9.1089 9.1089 k = 0.0000 0.0000 0.0000 ( 8341 PWs) bands (ev): -6.4975 -6.4975 -5.3345 -5.3345 -5.3285 -5.3285 -5.2523 -5.2523 -0.6358 -0.6358 0.5489 0.5489 0.8034 0.8034 0.9395 0.9395 1.0186 1.0186 1.1381 1.1381 1.2142 1.2142 1.3064 1.3064 1.3198 1.3198 1.6322 1.6322 1.8474 1.8474 1.8801 1.8801 2.1841 2.1841 2.2113 2.2113 2.2540 2.2540 2.8424 2.8424 3.2050 3.2050 3.3953 3.3953 3.6311 3.6311 5.0054 5.0054 5.6088 5.6088 5.7757 5.7757 6.6255 6.6255 7.3147 7.3147 7.7033 7.7033 9.0778 9.0778 9.1089 9.1089 k = 0.0185 0.0139 0.0000 ( 8337 PWs) bands (ev): -6.4966 -6.4966 -5.3345 -5.3345 -5.3285 -5.3285 -5.2537 -5.2537 -0.6350 -0.6350 0.5448 0.5448 0.8043 0.8043 0.9413 0.9413 1.0185 1.0185 1.1383 1.1383 1.2137 1.2137 1.2994 1.2994 1.3284 1.3284 1.6323 1.6323 1.8466 1.8466 1.8801 1.8801 2.1841 2.1841 2.2126 2.2126 2.2558 2.2558 2.8424 2.8424 3.2072 3.2072 3.3975 3.3975 3.6331 3.6331 5.0019 5.0019 5.6054 5.6054 5.7605 5.7605 6.6427 6.6427 7.3155 7.3155 7.7055 7.7055 9.0773 9.0773 9.1069 9.1069 k = 0.0370 0.0279 0.0000 ( 8337 PWs) bands (ev): -6.4941 -6.4941 -5.3346 -5.3346 -5.3286 -5.3286 -5.2579 -5.2579 -0.6325 -0.6325 0.5329 0.5329 0.8068 0.8068 0.9466 0.9466 1.0182 1.0182 1.1387 1.1387 1.2120 1.2120 1.2894 1.2894 1.3430 1.3430 1.6326 1.6326 1.8443 1.8443 1.8801 1.8801 2.1844 2.1844 2.2162 2.2162 2.2611 2.2611 2.8424 2.8424 3.2138 3.2138 3.4040 3.4040 3.6388 3.6388 4.9916 4.9916 5.5952 5.5952 5.7184 5.7184 6.6911 6.6911 7.3180 7.3180 7.7124 7.7124 9.0754 9.0754 9.1006 9.1006 k = 0.0556 0.0418 0.0000 ( 8345 PWs) bands (ev): -6.4900 -6.4900 -5.3348 -5.3348 -5.3288 -5.3288 -5.2648 -5.2648 -0.6284 -0.6284 0.5143 0.5143 0.8106 0.8106 0.9549 0.9549 1.0177 1.0177 1.1390 1.1390 1.2091 1.2091 1.2800 1.2800 1.3600 1.3600 1.6333 1.6333 1.8408 1.8408 1.8799 1.8799 2.1855 2.1855 2.2218 2.2218 2.2695 2.2695 2.8425 2.8425 3.2247 3.2247 3.4148 3.4148 3.6483 3.6483 4.9743 4.9743 5.5784 5.5784 5.6568 5.6568 6.7629 6.7629 7.3223 7.3223 7.7237 7.7237 9.0698 9.0698 9.0887 9.0887 k = 0.0741 0.0558 0.0000 ( 8328 PWs) bands (ev): -6.4842 -6.4842 -5.3350 -5.3350 -5.3291 -5.3291 -5.2745 -5.2745 -0.6228 -0.6228 0.4903 0.4903 0.8150 0.8150 0.9658 0.9658 1.0171 1.0171 1.1390 1.1390 1.2052 1.2052 1.2715 1.2715 1.3787 1.3787 1.6346 1.6346 1.8366 1.8366 1.8796 1.8796 2.1877 2.1877 2.2294 2.2294 2.2805 2.2805 2.8426 2.8426 3.2399 3.2399 3.4295 3.4295 3.6615 3.6615 4.9505 4.9505 5.5554 5.5554 5.5833 5.5833 6.8506 6.8506 7.3283 7.3283 7.7394 7.7394 9.0565 9.0565 9.0700 9.0700 k = 0.0926 0.0697-0.0000 ( 8308 PWs) bands (ev): -6.4767 -6.4767 -5.3353 -5.3353 -5.3295 -5.3295 -5.2867 -5.2867 -0.6156 -0.6156 0.4622 0.4622 0.8197 0.8197 0.9789 0.9789 1.0165 1.0165 1.1383 1.1383 1.2005 1.2005 1.2635 1.2635 1.3986 1.3986 1.6369 1.6369 1.8322 1.8322 1.8791 1.8791 2.1915 2.1915 2.2387 2.2387 2.2935 2.2935 2.8427 2.8427 3.2590 3.2590 3.4481 3.4481 3.6782 3.6782 4.9202 4.9202 5.5032 5.5032 5.5268 5.5268 6.9486 6.9486 7.3361 7.3361 7.7593 7.7593 9.0286 9.0286 9.0444 9.0444 k = 0.1111 0.0836 0.0000 ( 8336 PWs) bands (ev): -6.4676 -6.4676 -5.3356 -5.3356 -5.3299 -5.3299 -5.3015 -5.3015 -0.6070 -0.6070 0.4312 0.4312 0.8243 0.8243 0.9935 0.9935 1.0157 1.0157 1.1366 1.1366 1.1951 1.1951 1.2561 1.2561 1.4187 1.4187 1.6407 1.6407 1.8280 1.8280 1.8782 1.8782 2.1968 2.1968 2.2497 2.2497 2.3079 2.3079 2.8428 2.8428 3.2820 3.2820 3.4701 3.4701 3.6982 3.6982 4.8838 4.8838 5.4207 5.4207 5.4926 5.4926 7.0528 7.0528 7.3459 7.3459 7.7834 7.7834 8.9822 8.9822 9.0069 9.0069 k = 0.1296 0.0976 0.0000 ( 8328 PWs) bands (ev): -6.4569 -6.4569 -5.3361 -5.3361 -5.3305 -5.3305 -5.3187 -5.3187 -0.5970 -0.5970 0.3981 0.3981 0.8287 0.8287 1.0088 1.0088 1.0154 1.0154 1.1340 1.1340 1.1899 1.1899 1.2490 1.2490 1.4381 1.4381 1.6467 1.6467 1.8242 1.8242 1.8773 1.8773 2.2039 2.2039 2.2625 2.2625 2.3235 2.3235 2.8429 2.8429 3.3086 3.3086 3.4953 3.4953 3.7213 3.7213 4.8417 4.8417 5.3380 5.3380 5.4538 5.4538 7.1602 7.1602 7.3577 7.3577 7.8114 7.8114 8.9171 8.9171 8.9484 8.9484 k = 0.1481 0.1115 0.0000 ( 8320 PWs) bands (ev): -6.4446 -6.4446 -5.3396 -5.3396 -5.3353 -5.3353 -5.3309 -5.3309 -0.5858 -0.5858 0.3636 0.3636 0.8326 0.8326 1.0132 1.0132 1.0262 1.0262 1.1311 1.1311 1.1852 1.1852 1.2420 1.2420 1.4553 1.4553 1.6555 1.6555 1.8213 1.8213 1.8761 1.8761 2.2125 2.2125 2.2770 2.2770 2.3400 2.3400 2.8429 2.8429 3.3385 3.3385 3.5233 3.5233 3.7473 3.7473 4.7945 4.7945 5.2565 5.2565 5.4109 5.4109 7.2680 7.2680 7.3720 7.3720 7.8430 7.8430 8.8403 8.8403 8.8762 8.8762 k = 0.1667 0.1254 0.0000 ( 8312 PWs) bands (ev): -6.4307 -6.4307 -5.3605 -5.3605 -5.3366 -5.3366 -5.3315 -5.3315 -0.5734 -0.5734 0.3284 0.3284 0.8359 0.8359 1.0124 1.0124 1.0405 1.0405 1.1295 1.1295 1.1815 1.1815 1.2351 1.2351 1.4696 1.4696 1.6673 1.6673 1.8195 1.8195 1.8750 1.8750 2.2227 2.2227 2.2930 2.2930 2.3573 2.3573 2.8427 2.8427 3.3713 3.3713 3.5536 3.5536 3.7757 3.7757 4.7430 4.7430 5.1775 5.1775 5.3646 5.3646 7.3666 7.3666 7.3963 7.3963 7.8781 7.8781 8.7595 8.7595 8.7962 8.7962 k = 0.1852 0.1394 0.0000 ( 8316 PWs) bands (ev): -6.4153 -6.4153 -5.3842 -5.3842 -5.3372 -5.3372 -5.3322 -5.3322 -0.5600 -0.5600 0.2927 0.2927 0.8387 0.8387 1.0111 1.0111 1.0502 1.0502 1.1325 1.1325 1.1789 1.1789 1.2281 1.2281 1.4805 1.4805 1.6820 1.6820 1.8191 1.8191 1.8740 1.8740 2.2343 2.2343 2.3104 2.3104 2.3752 2.3752 2.8422 2.8422 3.4066 3.4066 3.5860 3.5860 3.8063 3.8063 4.6880 4.6880 5.1014 5.1014 5.3155 5.3155 7.3995 7.3995 7.4845 7.4845 7.9163 7.9163 8.6766 8.6766 8.7108 8.7108 k = 0.2037 0.1533 0.0000 ( 8316 PWs) bands (ev): -6.3983 -6.3983 -5.4099 -5.4099 -5.3377 -5.3377 -5.3329 -5.3329 -0.5455 -0.5455 0.2570 0.2570 0.8408 0.8408 1.0093 1.0093 1.0529 1.0529 1.1426 1.1426 1.1777 1.1777 1.2210 1.2210 1.4885 1.4885 1.6984 1.6984 1.8201 1.8201 1.8737 1.8737 2.2469 2.2469 2.3291 2.3291 2.3940 2.3940 2.8412 2.8412 3.4440 3.4440 3.6200 3.6200 3.8387 3.8387 4.6307 4.6307 5.0285 5.0285 5.2644 5.2644 7.4192 7.4192 7.5810 7.5810 7.9573 7.9573 8.5895 8.5895 8.6217 8.6217 k = 0.2222 0.1673 0.0000 ( 8316 PWs) bands (ev): -6.3798 -6.3798 -5.4374 -5.4374 -5.3382 -5.3382 -5.3336 -5.3336 -0.5302 -0.5302 0.2214 0.2214 0.8425 0.8425 1.0064 1.0064 1.0497 1.0497 1.1574 1.1574 1.1792 1.1792 1.2139 1.2139 1.4945 1.4945 1.7150 1.7150 1.8224 1.8224 1.8745 1.8745 2.2604 2.2604 2.3489 2.3489 2.4136 2.4136 2.8396 2.8396 3.4831 3.4831 3.6550 3.6550 3.8723 3.8723 4.5724 4.5724 4.9591 4.9591 5.2117 5.2117 7.4394 7.4394 7.6679 7.6679 8.0004 8.0004 8.4970 8.4970 8.5283 8.5283 k = 0.2407 0.1812 0.0000 ( 8316 PWs) bands (ev): -6.3599 -6.3599 -5.4665 -5.4665 -5.3387 -5.3387 -5.3344 -5.3344 -0.5140 -0.5140 0.1862 0.1862 0.8437 0.8437 1.0018 1.0018 1.0444 1.0444 1.1673 1.1673 1.1890 1.1890 1.2075 1.2075 1.4998 1.4998 1.7303 1.7303 1.8256 1.8256 1.8775 1.8775 2.2744 2.2744 2.3695 2.3695 2.4341 2.4341 2.8370 2.8370 3.5233 3.5233 3.6907 3.6907 3.9066 3.9066 4.5144 4.5144 4.8930 4.8930 5.1583 5.1583 7.4605 7.4605 7.7395 7.7395 8.0448 8.0448 8.4014 8.4014 8.4318 8.4318 k = 0.2593 0.1951 0.0000 ( 8308 PWs) bands (ev): -6.3385 -6.3385 -5.4970 -5.4970 -5.3392 -5.3392 -5.3351 -5.3351 -0.4971 -0.4971 0.1515 0.1515 0.8445 0.8445 0.9947 0.9947 1.0398 1.0398 1.1697 1.1697 1.1967 1.1967 1.2121 1.2121 1.5060 1.5060 1.7433 1.7433 1.8285 1.8285 1.8836 1.8836 2.2887 2.2887 2.3907 2.3907 2.4556 2.4556 2.8332 2.8332 3.5642 3.5642 3.7265 3.7265 3.9410 3.9410 4.4580 4.4580 4.8303 4.8303 5.1047 5.1047 7.4821 7.4821 7.7901 7.7901 8.0890 8.0890 8.3056 8.3056 8.3352 8.3352 k = 0.2778 0.2091 0.0000 ( 8304 PWs) bands (ev): -6.3157 -6.3157 -5.5287 -5.5287 -5.3397 -5.3397 -5.3359 -5.3359 -0.4796 -0.4796 0.1174 0.1174 0.8451 0.8451 0.9850 0.9850 1.0371 1.0371 1.1695 1.1695 1.1918 1.1918 1.2309 1.2309 1.5144 1.5144 1.7539 1.7539 1.8300 1.8300 1.8933 1.8933 2.3032 2.3032 2.4121 2.4121 2.4779 2.4779 2.8279 2.8279 3.6054 3.6054 3.7619 3.7619 3.9744 3.9744 4.4046 4.4046 4.7714 4.7714 5.0515 5.0515 7.5035 7.5035 7.8159 7.8159 8.1278 8.1278 8.2129 8.2129 8.2435 8.2435 k = 0.2963 0.2230 0.0000 ( 8316 PWs) bands (ev): -6.2916 -6.2916 -5.5616 -5.5616 -5.3402 -5.3402 -5.3366 -5.3366 -0.4615 -0.4615 0.0841 0.0841 0.8455 0.8455 0.9735 0.9735 1.0363 1.0363 1.1672 1.1672 1.1878 1.1878 1.2485 1.2485 1.5265 1.5265 1.7625 1.7625 1.8298 1.8298 1.9057 1.9057 2.3176 2.3176 2.4335 2.4335 2.5010 2.5010 2.8210 2.8210 3.6465 3.6465 3.7965 3.7965 4.0058 4.0058 4.3556 4.3556 4.7164 4.7164 4.9994 4.9994 7.5241 7.5241 7.8178 7.8178 8.1098 8.1098 8.1328 8.1328 8.1995 8.1995 k = 0.3148 0.2369 0.0000 ( 8340 PWs) bands (ev): -6.2662 -6.2662 -5.5954 -5.5954 -5.3406 -5.3406 -5.3374 -5.3374 -0.4428 -0.4428 0.0515 0.0515 0.8458 0.8458 0.9612 0.9612 1.0369 1.0369 1.1623 1.1623 1.1866 1.1866 1.2622 1.2622 1.5432 1.5432 1.7698 1.7698 1.8283 1.8283 1.9189 1.9189 2.3320 2.3320 2.4544 2.4544 2.5244 2.5244 2.8122 2.8122 3.6868 3.6868 3.8296 3.8296 4.0337 4.0337 4.3122 4.3122 4.6662 4.6662 4.9488 4.9488 7.5427 7.5427 7.8015 7.8015 8.0274 8.0274 8.0495 8.0495 8.2263 8.2263 k = 0.3333 0.2509 0.0000 ( 8344 PWs) bands (ev): -6.2395 -6.2395 -5.6300 -5.6300 -5.3410 -5.3410 -5.3381 -5.3381 -0.4236 -0.4236 0.0198 0.0198 0.8461 0.8461 0.9487 0.9487 1.0386 1.0386 1.1553 1.1553 1.1878 1.1878 1.2714 1.2714 1.5646 1.5646 1.7765 1.7765 1.8259 1.8259 1.9316 1.9316 2.3465 2.3465 2.4742 2.4742 2.5480 2.5480 2.8015 2.8015 3.7262 3.7262 3.8609 3.8609 4.0561 4.0561 4.2757 4.2757 4.6218 4.6218 4.9004 4.9004 7.5582 7.5582 7.7735 7.7735 7.9457 7.9457 7.9672 7.9672 8.2538 8.2538 k = 0.3519 0.2648 0.0000 ( 8344 PWs) bands (ev): -6.2116 -6.2116 -5.6653 -5.6653 -5.3414 -5.3414 -5.3387 -5.3387 -0.4039 -0.4039 -0.0111 -0.0111 0.8466 0.8466 0.9365 0.9365 1.0411 1.0411 1.1474 1.1474 1.1905 1.1905 1.2762 1.2762 1.5902 1.5902 1.7829 1.7829 1.8231 1.8231 1.9426 1.9426 2.3611 2.3611 2.4925 2.4925 2.5711 2.5711 2.7891 2.7891 3.7642 3.7642 3.8897 3.8897 4.0709 4.0709 4.2472 4.2472 4.5844 4.5844 4.8545 4.8545 7.5696 7.5696 7.7395 7.7395 7.8696 7.8696 7.8905 7.8905 8.2735 8.2735 k = 0.3704 0.2788 0.0000 ( 8344 PWs) bands (ev): -6.1826 -6.1826 -5.7010 -5.7010 -5.3417 -5.3417 -5.3394 -5.3394 -0.3838 -0.3838 -0.0411 -0.0411 0.8474 0.8474 0.9247 0.9247 1.0444 1.0444 1.1391 1.1391 1.1942 1.1942 1.2772 1.2772 1.6186 1.6186 1.7893 1.7893 1.8206 1.8206 1.9508 1.9508 2.3760 2.3760 2.5084 2.5084 2.5935 2.5935 2.7754 2.7754 3.8003 3.8003 3.9158 3.9158 4.0768 4.0768 4.2263 4.2263 4.5557 4.5557 4.8115 4.8115 7.5759 7.5759 7.7032 7.7032 7.8001 7.8001 7.8210 7.8210 8.2873 8.2873 k = 0.3889 0.2927 0.0000 ( 8348 PWs) bands (ev): -6.1525 -6.1525 -5.7371 -5.7371 -5.3420 -5.3420 -5.3400 -5.3400 -0.3631 -0.3631 -0.0702 -0.0702 0.8484 0.8484 0.9137 0.9137 1.0483 1.0483 1.1306 1.1306 1.1986 1.1986 1.2753 1.2753 1.6481 1.6481 1.7948 1.7948 1.8197 1.8197 1.9558 1.9558 2.3912 2.3912 2.5209 2.5209 2.6147 2.6147 2.7610 2.7610 3.8342 3.8342 3.9389 3.9389 4.0751 4.0751 4.2101 4.2101 4.5373 4.5373 4.7717 4.7717 7.5771 7.5771 7.6671 7.6671 7.7379 7.7379 7.7601 7.7601 8.3010 8.3010 k = 0.4074 0.3066 0.0000 ( 8352 PWs) bands (ev): -6.1214 -6.1214 -5.7734 -5.7734 -5.3422 -5.3422 -5.3405 -5.3405 -0.3420 -0.3420 -0.0986 -0.0986 0.8499 0.8499 0.9035 0.9035 1.0528 1.0528 1.1222 1.1222 1.2038 1.2038 1.2712 1.2712 1.6769 1.6769 1.7971 1.7971 1.8234 1.8234 1.9572 1.9572 2.4071 2.4071 2.5292 2.5292 2.6342 2.6342 2.7469 2.7469 3.8656 3.8656 3.9585 3.9585 4.0694 4.0694 4.1946 4.1946 4.5295 4.5295 4.7351 4.7351 7.5739 7.5739 7.6326 7.6326 7.6840 7.6840 7.7086 7.7086 8.3200 8.3200 k = 0.4259 0.3206 0.0000 ( 8352 PWs) bands (ev): -6.0894 -6.0894 -5.8098 -5.8098 -5.3424 -5.3424 -5.3410 -5.3410 -0.3204 -0.3204 -0.1261 -0.1261 0.8519 0.8519 0.8943 0.8943 1.0578 1.0578 1.1138 1.1138 1.2096 1.2096 1.2656 1.2656 1.7031 1.7031 1.7951 1.7951 1.8334 1.8334 1.9545 1.9545 2.4236 2.4236 2.5322 2.5322 2.6516 2.6516 2.7341 2.7341 3.8941 3.8941 3.9741 3.9741 4.0637 4.0637 4.1771 4.1771 4.5313 4.5313 4.7018 4.7018 7.5677 7.5677 7.6014 7.6014 7.6393 7.6393 7.6668 7.6668 8.3472 8.3472 k = 0.4444 0.3345 0.0000 ( 8352 PWs) bands (ev): -6.0565 -6.0565 -5.8461 -5.8461 -5.3424 -5.3424 -5.3414 -5.3414 -0.2982 -0.2982 -0.1528 -0.1528 0.8544 0.8544 0.8859 0.8859 1.0633 1.0633 1.1057 1.1057 1.2158 1.2158 1.2591 1.2591 1.7254 1.7254 1.7906 1.7906 1.8484 1.8484 1.9478 1.9478 2.4408 2.4408 2.5295 2.5295 2.6667 2.6667 2.7232 2.7232 3.9193 3.9193 3.9842 3.9842 4.0617 4.0617 4.1573 4.1573 4.5408 4.5408 4.6714 4.6714 7.5592 7.5592 7.5753 7.5753 7.6055 7.6055 7.6340 7.6340 8.3834 8.3834 k = 0.4630 0.3485 0.0000 ( 8360 PWs) bands (ev): -6.0229 -6.0229 -5.8822 -5.8822 -5.3424 -5.3424 -5.3418 -5.3418 -0.2756 -0.2756 -0.1787 -0.1787 0.8576 0.8576 0.8784 0.8784 1.0694 1.0694 1.0977 1.0977 1.2226 1.2226 1.2519 1.2519 1.7433 1.7433 1.7846 1.7846 1.8666 1.8666 1.9371 1.9371 2.4584 2.4584 2.5213 2.5213 2.6795 2.6795 2.7143 2.7143 3.9409 3.9409 3.9871 3.9871 4.0664 4.0664 4.1362 4.1362 4.5556 4.5556 4.6437 4.6437 7.5486 7.5486 7.5560 7.5560 7.5853 7.5853 7.6094 7.6094 8.4281 8.4281 k = 0.4815 0.3624 0.0000 ( 8360 PWs) bands (ev): -5.9885 -5.9885 -5.9181 -5.9181 -5.3424 -5.3424 -5.3420 -5.3420 -0.2523 -0.2523 -0.2039 -0.2039 0.8616 0.8616 0.8720 0.8720 1.0758 1.0758 1.0901 1.0901 1.2297 1.2297 1.2445 1.2445 1.7573 1.7573 1.7772 1.7772 1.8862 1.8862 1.9228 1.9228 2.4761 2.4761 2.5088 2.5088 2.6901 2.6901 2.7065 2.7065 3.9588 3.9588 3.9827 3.9827 4.0783 4.0783 4.1150 4.1150 4.5741 4.5741 4.6184 4.6184 7.5395 7.5395 7.5430 7.5430 7.5787 7.5787 7.5921 7.5921 8.4805 8.4805 k = 0.5000 0.3763 0.0000 ( 8376 PWs) bands (ev): -5.9535 -5.9535 -5.9535 -5.9535 -5.3422 -5.3422 -5.3422 -5.3422 -0.2284 -0.2284 -0.2284 -0.2284 0.8663 0.8663 0.8663 0.8663 1.0827 1.0827 1.0827 1.0827 1.2370 1.2370 1.2370 1.2370 1.7683 1.7683 1.7683 1.7683 1.9054 1.9054 1.9054 1.9054 2.4933 2.4933 2.4933 2.4933 2.6988 2.6988 2.6988 2.6988 3.9728 3.9728 3.9728 3.9728 4.0952 4.0952 4.0952 4.0952 4.5952 4.5952 4.5952 4.5952 7.5372 7.5372 7.5372 7.5372 7.5817 7.5817 7.5817 7.5817 8.5396 8.5396 k = 0.5000 0.3763 0.0000 ( 8376 PWs) bands (ev): -5.9535 -5.9535 -5.9535 -5.9535 -5.3422 -5.3422 -5.3422 -5.3422 -0.2284 -0.2284 -0.2284 -0.2284 0.8663 0.8663 0.8663 0.8663 1.0827 1.0827 1.0827 1.0827 1.2370 1.2370 1.2370 1.2370 1.7683 1.7683 1.7683 1.7683 1.9054 1.9054 1.9054 1.9054 2.4933 2.4933 2.4933 2.4933 2.6988 2.6988 2.6988 2.6988 3.9728 3.9728 3.9728 3.9728 4.0952 4.0952 4.0952 4.0952 4.5952 4.5952 4.5952 4.5952 7.5372 7.5372 7.5372 7.5372 7.5817 7.5817 7.5817 7.5817 8.5396 8.5396 k = 0.4900 0.3896 0.0166 ( 8368 PWs) bands (ev): -5.9532 -5.9532 -5.9530 -5.9529 -5.3435 -5.3435 -5.3423 -5.3420 -0.2307 -0.2287 -0.2266 -0.2256 0.8626 0.8661 0.8666 0.8703 1.0785 1.0822 1.0836 1.0872 1.2291 1.2353 1.2395 1.2455 1.7662 1.7665 1.7687 1.7693 1.8978 1.9049 1.9064 1.9120 2.4682 2.4856 2.4996 2.5173 2.6751 2.6969 2.6996 2.7238 3.9373 3.9626 3.9665 3.9969 4.0753 4.0849 4.1119 4.1282 4.5883 4.5935 4.5937 4.6053 7.5052 7.5374 7.5418 7.5474 7.5730 7.5853 7.5879 7.6226 8.5407 8.5410 k = 0.4801 0.4028 0.0331 ( 8348 PWs) bands (ev): -5.9521 -5.9520 -5.9514 -5.9512 -5.3473 -5.3471 -5.3422 -5.3415 -0.2325 -0.2274 -0.2234 -0.2219 0.8592 0.8660 0.8670 0.8745 1.0742 1.0820 1.0849 1.0919 1.2218 1.2346 1.2429 1.2544 1.7629 1.7630 1.7678 1.7691 1.8885 1.9035 1.9088 1.9187 2.4429 2.4770 2.5038 2.5387 2.6540 2.6948 2.6990 2.7497 3.8951 3.9333 3.9512 4.0080 4.0679 4.0759 4.1387 4.1674 4.5782 4.5862 4.5964 4.6207 7.4790 7.5149 7.5484 7.5527 7.5930 7.5965 7.6223 7.6687 8.5490 8.5517 k = 0.4701 0.4160 0.0497 ( 8344 PWs) bands (ev): -5.9503 -5.9501 -5.9486 -5.9483 -5.3534 -5.3532 -5.3418 -5.3409 -0.2339 -0.2243 -0.2199 -0.2166 0.8561 0.8660 0.8675 0.8787 1.0699 1.0818 1.0866 1.0968 1.2154 1.2349 1.2472 1.2637 1.7572 1.7582 1.7653 1.7682 1.8776 1.9007 1.9132 1.9263 2.4177 2.4673 2.5045 2.5536 2.6396 2.6938 2.6971 2.7760 3.8494 3.8924 3.9312 4.0106 4.0630 4.0655 4.1728 4.2084 4.5633 4.5734 4.6058 4.6413 7.4589 7.4913 7.5621 7.5698 7.6119 7.6151 7.6700 7.7189 8.5634 8.5711 k = 0.4602 0.4292 0.0662 ( 8322 PWs) bands (ev): -5.9478 -5.9476 -5.9448 -5.9444 -5.3619 -5.3617 -5.3413 -5.3400 -0.2349 -0.2197 -0.2161 -0.2095 0.8535 0.8662 0.8681 0.8831 1.0652 1.0816 1.0886 1.1018 1.2099 1.2364 1.2522 1.2733 1.7483 1.7523 1.7610 1.7666 1.8658 1.8965 1.9199 1.9353 2.3931 2.4563 2.5004 2.5548 2.6394 2.6946 2.6953 2.8026 3.8018 3.8463 3.9083 4.0078 4.0524 4.0553 4.2083 4.2490 4.5455 4.5561 4.6217 4.6667 7.4449 7.4735 7.5816 7.5931 7.6377 7.6409 7.7221 7.7724 8.5842 8.5971 k = 0.4502 0.4425 0.0828 ( 8338 PWs) bands (ev): -5.9446 -5.9444 -5.9398 -5.9393 -5.3726 -5.3723 -5.3405 -5.3389 -0.2355 -0.2135 -0.2121 -0.2009 0.8512 0.8666 0.8688 0.8875 1.0600 1.0808 1.0908 1.1068 1.2056 1.2394 1.2581 1.2833 1.7355 1.7448 1.7545 1.7647 1.8539 1.8914 1.9290 1.9457 2.3693 2.4433 2.4902 2.5423 2.6539 2.6924 2.7001 2.8294 3.7529 3.7973 3.8834 4.0014 4.0359 4.0433 4.2402 4.2873 4.5282 4.5362 4.6437 4.6964 7.4366 7.4614 7.6064 7.6223 7.6703 7.6737 7.7775 7.8283 8.6113 8.6297 k = 0.4403 0.4557 0.0993 ( 8340 PWs) bands (ev): -5.9408 -5.9405 -5.9337 -5.9331 -5.3855 -5.3851 -5.3396 -5.3377 -0.2359 -0.2080 -0.2059 -0.1909 0.8495 0.8675 0.8699 0.8919 1.0542 1.0792 1.0932 1.1118 1.2023 1.2442 1.2647 1.2935 1.7181 1.7350 1.7461 1.7626 1.8432 1.8863 1.9406 1.9577 2.3463 2.4278 2.4735 2.5242 2.6757 2.6914 2.7083 2.8561 3.7033 3.7467 3.8573 3.9919 4.0158 4.0269 4.2627 4.3197 4.5166 4.5176 4.6712 4.7299 7.4335 7.4547 7.6364 7.6572 7.7091 7.7125 7.8350 7.8854 8.6447 8.6691 k = 0.4303 0.4689 0.1159 ( 8332 PWs) bands (ev): -5.9365 -5.9362 -5.9266 -5.9259 -5.4002 -5.3998 -5.3385 -5.3363 -0.2360 -0.2038 -0.1970 -0.1795 0.8482 0.8688 0.8713 0.8963 1.0474 1.0764 1.0956 1.1169 1.2001 1.2510 1.2719 1.3040 1.6960 1.7217 1.7369 1.7604 1.8347 1.8819 1.9549 1.9713 2.3241 2.4095 2.4507 2.5051 2.6927 2.6998 2.7201 2.8826 3.6534 3.6952 3.8301 3.9788 3.9922 4.0073 4.2694 4.3389 4.5082 4.5172 4.7032 4.7665 7.4353 7.4528 7.6712 7.6976 7.7530 7.7566 7.8939 7.9429 8.6841 8.7147 k = 0.4204 0.4821 0.1324 ( 8331 PWs) bands (ev): -5.9318 -5.9315 -5.9185 -5.9176 -5.4167 -5.4162 -5.3372 -5.3347 -0.2360 -0.1998 -0.1869 -0.1670 0.8475 0.8706 0.8732 0.9008 1.0397 1.0722 1.0980 1.1222 1.1987 1.2600 1.2795 1.3146 1.6693 1.7043 1.7276 1.7581 1.8284 1.8783 1.9719 1.9864 2.3026 2.3883 2.4234 2.4862 2.6966 2.7207 2.7387 2.9084 3.6037 3.6432 3.8021 3.9589 3.9657 3.9885 4.2578 4.3367 4.5167 4.5330 4.7389 4.8055 7.4414 7.4555 7.7104 7.7430 7.8008 7.8048 7.9536 7.9999 8.7293 8.7653 k = 0.4104 0.4954 0.1490 ( 8329 PWs) bands (ev): -5.9268 -5.9265 -5.9093 -5.9084 -5.4347 -5.4341 -5.3357 -5.3329 -0.2359 -0.1959 -0.1758 -0.1534 0.8473 0.8731 0.8756 0.9053 1.0310 1.0667 1.1002 1.1279 1.1979 1.2711 1.2873 1.3252 1.6386 1.6841 1.7183 1.7557 1.8243 1.8757 1.9917 2.0030 2.2817 2.3648 2.3933 2.4673 2.7032 2.7356 2.7657 2.9332 3.5544 3.5910 3.7728 3.9297 3.9374 3.9734 4.2317 4.3145 4.5423 4.5608 4.7773 4.8462 7.4513 7.4621 7.7531 7.7921 7.8511 7.8556 8.0138 8.0561 8.7799 8.8172 k = 0.4005 0.5086 0.1655 ( 8327 PWs) bands (ev): -5.9217 -5.9213 -5.8991 -5.8981 -5.4539 -5.4532 -5.3340 -5.3310 -0.2359 -0.1923 -0.1638 -0.1389 0.8476 0.8761 0.8786 0.9099 1.0212 1.0600 1.1020 1.1342 1.1973 1.2840 1.2950 1.3357 1.6045 1.6625 1.7088 1.7532 1.8217 1.8740 2.0145 2.0207 2.2613 2.3399 2.3616 2.4486 2.7123 2.7481 2.7961 2.9565 3.5061 3.5391 3.7418 3.8936 3.9088 3.9603 4.1977 4.2808 4.5768 4.5953 4.8173 4.8877 7.4647 7.4723 7.7980 7.8437 7.9021 7.9076 8.0746 8.1115 8.8353 8.8677 k = 0.3905 0.5218 0.1821 ( 8333 PWs) bands (ev): -5.9167 -5.9163 -5.8880 -5.8869 -5.4739 -5.4731 -5.3322 -5.3290 -0.2361 -0.1893 -0.1511 -0.1237 0.8485 0.8796 0.8822 0.9146 1.0103 1.0524 1.1035 1.1410 1.1969 1.2983 1.3023 1.3456 1.5681 1.6410 1.6990 1.7505 1.8202 1.8730 2.0386 2.0400 2.2417 2.3146 2.3292 2.4301 2.7236 2.7594 2.8279 2.9777 3.4593 3.4878 3.7081 3.8526 3.8819 3.9467 4.1612 4.2419 4.6148 4.6325 4.8580 4.9292 7.4812 7.4855 7.8437 7.8954 7.9523 7.9592 8.1363 8.1666 8.8950 8.9183 k = 0.3805 0.5350 0.1987 ( 8341 PWs) bands (ev): -5.9120 -5.9116 -5.8759 -5.8747 -5.4944 -5.4935 -5.3303 -5.3268 -0.2366 -0.1869 -0.1376 -0.1078 0.8498 0.8833 0.8865 0.9196 0.9983 1.0445 1.1043 1.1484 1.1965 1.3090 1.3136 1.3547 1.5300 1.6209 1.6889 1.7477 1.8195 1.8727 2.0550 2.0684 2.2244 2.2902 2.2968 2.4120 2.7363 2.7695 2.8605 2.9961 3.4145 3.4373 3.6707 3.8079 3.8588 3.9304 4.1272 4.2008 4.6534 4.6699 4.8986 4.9700 7.5005 7.5014 7.8884 7.9450 7.9998 8.0087 8.1996 8.2226 8.9587 8.9714 k = 0.3706 0.5483 0.2152 ( 8353 PWs) bands (ev): -5.9080 -5.9077 -5.8630 -5.8617 -5.5148 -5.5139 -5.3282 -5.3245 -0.2374 -0.1852 -0.1237 -0.0913 0.8514 0.8869 0.8914 0.9250 0.9855 1.0365 1.1043 1.1561 1.1963 1.3148 1.3294 1.3625 1.4912 1.6033 1.6785 1.7445 1.8192 1.8728 2.0659 2.0991 2.2119 2.2651 2.2687 2.3949 2.7500 2.7783 2.8930 3.0109 3.3724 3.3882 3.6290 3.7602 3.8409 3.9090 4.1003 4.1598 4.6910 4.7059 4.9381 5.0092 7.5196 7.5223 7.9305 7.9903 8.0432 8.0540 8.2647 8.2809 9.0262 9.0294 k = 0.3606 0.5615 0.2318 ( 8363 PWs) bands (ev): -5.9052 -5.9049 -5.8492 -5.8478 -5.5347 -5.5337 -5.3260 -5.3220 -0.2388 -0.1844 -0.1093 -0.0744 0.8534 0.8897 0.8968 0.9310 0.9720 1.0292 1.1034 1.1639 1.1964 1.3195 1.3453 1.3689 1.4526 1.5892 1.6678 1.7409 1.8192 1.8732 2.0662 2.1311 2.2050 2.2345 2.2548 2.3799 2.7640 2.7858 2.9248 3.0211 3.3336 3.3405 3.5831 3.7103 3.8294 3.8811 4.0839 4.1204 4.7265 4.7393 4.9757 5.0460 7.5398 7.5465 7.9688 8.0297 8.0812 8.0934 8.3318 8.3425 9.0941 9.0979 k = 0.3507 0.5747 0.2483 ( 8353 PWs) bands (ev): -5.9040 -5.9037 -5.8347 -5.8332 -5.5534 -5.5522 -5.3237 -5.3195 -0.2408 -0.1847 -0.0945 -0.0572 0.8555 0.8912 0.9023 0.9377 0.9582 1.0232 1.1016 1.1710 1.1974 1.3230 1.3608 1.3737 1.4150 1.5790 1.6571 1.7369 1.8194 1.8738 2.0545 2.1620 2.1954 2.2056 2.2590 2.3692 2.7778 2.7917 2.9550 3.0258 3.2947 3.2987 3.5336 3.6588 3.8244 3.8476 4.0786 4.0838 4.7589 4.7690 5.0107 5.0798 7.5616 7.5727 8.0025 8.0629 8.1136 8.1257 8.4004 8.4074 9.1669 9.1744 k = 0.3407 0.5880 0.2649 ( 8355 PWs) bands (ev): -5.9050 -5.9048 -5.8194 -5.8178 -5.5701 -5.5688 -5.3212 -5.3169 -0.2436 -0.1862 -0.0795 -0.0397 0.8574 0.8907 0.9074 0.9447 0.9452 1.0193 1.0986 1.1762 1.2002 1.3252 1.3757 1.3773 1.3796 1.5728 1.6463 1.7321 1.8196 1.8743 2.0344 2.1759 2.1788 2.1903 2.2824 2.3670 2.7908 2.7961 2.9825 3.0247 3.2512 3.2679 3.4814 3.6061 3.8119 3.8258 4.0513 4.0828 4.7876 4.7944 5.0421 5.1100 7.5846 7.6008 8.0316 8.0904 8.1404 8.1509 8.4696 8.4745 9.2481 9.2564 k = 0.3308 0.6012 0.2814 ( 8345 PWs) bands (ev): -5.9089 -5.9088 -5.8034 -5.8017 -5.5842 -5.5828 -5.3187 -5.3142 -0.2472 -0.1889 -0.0643 -0.0220 0.8584 0.8880 0.9097 0.9355 0.9515 1.0183 1.0947 1.1783 1.2049 1.3261 1.3475 1.3804 1.3899 1.5700 1.6359 1.7266 1.8198 1.8746 2.0104 2.1519 2.1592 2.2038 2.3169 2.3792 2.7990 2.8026 3.0060 3.0179 3.2102 3.2411 3.4274 3.5528 3.7773 3.8332 4.0239 4.0949 4.8118 4.8147 5.0695 5.1360 7.6085 7.6303 8.0565 8.1135 8.1628 8.1698 8.5382 8.5420 9.3374 9.3447 k = 0.3208 0.6144 0.2980 ( 8351 PWs) bands (ev): -5.9161 -5.9161 -5.7867 -5.7850 -5.5951 -5.5935 -5.3161 -5.3114 -0.2517 -0.1930 -0.0488 -0.0041 0.8573 0.8829 0.9063 0.9335 0.9574 1.0205 1.0900 1.1776 1.2095 1.3218 1.3257 1.3836 1.4029 1.5693 1.6264 1.7201 1.8198 1.8743 1.9856 2.1288 2.1385 2.2045 2.3577 2.4082 2.8004 2.8127 3.0065 3.0239 3.1723 3.2174 3.3727 3.4994 3.7469 3.8460 4.0025 4.1135 4.8292 4.8309 5.0922 5.1573 7.6328 7.6610 8.0779 8.1336 8.1823 8.1838 8.6049 8.6081 9.4338 9.4395 k = 0.3208 0.6144 0.2980 ( 8351 PWs) bands (ev): -5.9161 -5.9161 -5.7867 -5.7850 -5.5951 -5.5935 -5.3161 -5.3114 -0.2517 -0.1930 -0.0488 -0.0041 0.8573 0.8829 0.9063 0.9335 0.9574 1.0205 1.0900 1.1776 1.2095 1.3218 1.3257 1.3836 1.4029 1.5693 1.6264 1.7201 1.8198 1.8743 1.9856 2.1288 2.1385 2.2045 2.3577 2.4082 2.8004 2.8127 3.0065 3.0239 3.1723 3.2174 3.3727 3.4994 3.7469 3.8460 4.0025 4.1135 4.8292 4.8309 5.0922 5.1573 7.6328 7.6610 8.0779 8.1336 8.1823 8.1838 8.6049 8.6081 9.4338 9.4395 k = 0.3008 0.6085 0.3053 ( 8358 PWs) bands (ev): -5.9227 -5.9224 -5.7778 -5.7760 -5.5976 -5.5960 -5.3151 -5.3104 -0.2547 -0.1968 -0.0404 0.0045 0.8555 0.8798 0.9040 0.9343 0.9605 1.0225 1.0877 1.1765 1.2103 1.3111 1.3272 1.3864 1.4082 1.5680 1.6218 1.7176 1.8168 1.8744 1.9772 2.1175 2.1334 2.2018 2.3753 2.4252 2.7983 2.8163 2.9910 3.0209 3.1628 3.2146 3.3518 3.4786 3.7380 3.8525 3.9975 4.1219 4.8252 4.8342 5.1059 5.1674 7.6463 7.6784 8.0847 8.1402 8.1826 8.1956 8.6373 8.6408 9.4595 9.4998 k = 0.2807 0.6026 0.3127 ( 8355 PWs) bands (ev): -5.9326 -5.9321 -5.7680 -5.7662 -5.5968 -5.5951 -5.3145 -5.3098 -0.2588 -0.2033 -0.0295 0.0142 0.8526 0.8760 0.9018 0.9350 0.9643 1.0248 1.0856 1.1747 1.2088 1.3037 1.3295 1.3910 1.4130 1.5636 1.6171 1.7163 1.8088 1.8753 1.9737 2.1057 2.1333 2.1988 2.3901 2.4424 2.7929 2.8174 2.9587 2.9969 3.1656 3.2241 3.3417 3.4659 3.7350 3.8581 3.9980 4.1280 4.8105 4.8265 5.1256 5.1790 7.6650 7.7028 8.0877 8.1434 8.1832 8.2067 8.6759 8.6808 9.4818 9.5341 k = 0.2607 0.5968 0.3201 ( 8358 PWs) bands (ev): -5.9439 -5.9433 -5.7598 -5.7579 -5.5920 -5.5902 -5.3144 -5.3096 -0.2638 -0.2115 -0.0172 0.0245 0.8488 0.8718 0.8995 0.9356 0.9683 1.0273 1.0840 1.1714 1.2049 1.3021 1.3321 1.3967 1.4172 1.5555 1.6140 1.7158 1.7981 1.8762 1.9737 2.0943 2.1365 2.1961 2.4016 2.4586 2.7855 2.8148 2.9160 2.9558 3.1753 3.2379 3.3472 3.4634 3.7367 3.8624 4.0030 4.1316 4.7887 4.8109 5.1459 5.1894 7.6883 7.7336 8.0886 8.1443 8.1880 8.2164 8.7202 8.7275 9.5030 9.5568 k = 0.2406 0.5909 0.3274 ( 8360 PWs) bands (ev): -5.9557 -5.9550 -5.7542 -5.7524 -5.5833 -5.5813 -5.3149 -5.3101 -0.2693 -0.2206 -0.0043 0.0350 0.8442 0.8676 0.8968 0.9357 0.9716 1.0301 1.0835 1.1653 1.2006 1.3066 1.3352 1.4031 1.4210 1.5441 1.6132 1.7154 1.7873 1.8766 1.9760 2.0831 2.1424 2.1940 2.4097 2.4728 2.7764 2.8077 2.8691 2.9047 3.1871 3.2498 3.3694 3.4719 3.7420 3.8651 4.0117 4.1326 4.7622 4.7899 5.1628 5.1968 7.7157 7.7700 8.0895 8.1457 8.1968 8.2249 8.7702 8.7807 9.5226 9.5764 k = 0.2206 0.5850 0.3348 ( 8364 PWs) bands (ev): -5.9673 -5.9666 -5.7514 -5.7497 -5.5710 -5.5688 -5.3159 -5.3111 -0.2750 -0.2301 0.0087 0.0454 0.8391 0.8636 0.8935 0.9350 0.9740 1.0331 1.0841 1.1562 1.1981 1.3160 1.3387 1.4089 1.4255 1.5309 1.6142 1.7146 1.7781 1.8764 1.9794 2.0719 2.1504 2.1926 2.4141 2.4846 2.7639 2.7916 2.8264 2.8507 3.1990 3.2598 3.4038 3.4905 3.7497 3.8664 4.0235 4.1316 4.7328 4.7651 5.1731 5.2006 7.7466 7.8111 8.0921 8.1494 8.2096 8.2332 8.8258 8.8401 9.5401 9.5933 k = 0.2005 0.5791 0.3421 ( 8359 PWs) bands (ev): -5.9784 -5.9777 -5.7509 -5.7493 -5.5561 -5.5537 -5.3176 -5.3128 -0.2807 -0.2398 0.0215 0.0553 0.8337 0.8597 0.8895 0.9330 0.9757 1.0359 1.0857 1.1456 1.1982 1.3288 1.3426 1.4123 1.4323 1.5172 1.6162 1.7130 1.7714 1.8756 1.9829 2.0605 2.1599 2.1917 2.4145 2.4938 2.7365 2.7652 2.7868 2.8151 3.2109 3.2697 3.4453 3.5174 3.7589 3.8665 4.0379 4.1290 4.7017 4.7377 5.1749 5.2011 7.7804 7.8553 8.0974 8.1550 8.2277 8.2425 8.8870 8.9053 9.5549 9.6069 k = 0.1805 0.5732 0.3495 ( 8351 PWs) bands (ev): -5.9887 -5.9881 -5.7520 -5.7506 -5.5395 -5.5369 -5.3200 -5.3153 -0.2862 -0.2493 0.0337 0.0647 0.8283 0.8560 0.8850 0.9294 0.9773 1.0381 1.0879 1.1355 1.2005 1.3419 1.3488 1.4131 1.4421 1.5041 1.6184 1.7108 1.7677 1.8748 1.9860 2.0490 2.1701 2.1912 2.4106 2.5003 2.6916 2.7199 2.7643 2.8008 3.2231 3.2801 3.4903 3.5505 3.7684 3.8658 4.0542 4.1256 4.6696 4.7084 5.1682 5.1980 7.8163 7.9011 8.1054 8.1609 8.2510 8.2566 8.9532 8.9759 9.5665 9.6165 k = 0.1604 0.5674 0.3569 ( 8351 PWs) bands (ev): -5.9982 -5.9977 -5.7542 -5.7529 -5.5219 -5.5192 -5.3232 -5.3185 -0.2913 -0.2584 0.0453 0.0732 0.8229 0.8521 0.8803 0.9243 0.9791 1.0391 1.0902 1.1272 1.2048 1.3473 1.3635 1.4129 1.4540 1.4922 1.6204 1.7078 1.7671 1.8742 1.9882 2.0374 2.1803 2.1908 2.4021 2.5040 2.6440 2.6668 2.7550 2.7906 3.2360 3.2909 3.5364 3.5879 3.7772 3.8649 4.0717 4.1225 4.6372 4.6778 5.1550 5.1904 7.8537 7.9462 8.1152 8.1658 8.2710 8.2872 9.0240 9.0511 9.5744 9.6215 k = 0.1404 0.5615 0.3642 ( 8346 PWs) bands (ev): -6.0067 -6.0062 -5.7568 -5.7557 -5.5041 -5.5012 -5.3272 -5.3226 -0.2958 -0.2670 0.0559 0.0807 0.8180 0.8478 0.8758 0.9181 0.9815 1.0384 1.0923 1.1213 1.2110 1.3491 1.3790 1.4153 1.4671 1.4816 1.6216 1.7037 1.7701 1.8744 1.9892 2.0256 2.1886 2.1912 2.3892 2.5052 2.5968 2.6206 2.7484 2.7816 3.2496 3.3016 3.5820 3.6276 3.7846 3.8640 4.0894 4.1214 4.6052 4.6465 5.1374 5.1779 7.8919 7.9888 8.1246 8.1696 8.2972 8.3267 9.0986 9.1298 9.5782 9.6214 k = 0.1203 0.5556 0.3716 ( 8344 PWs) bands (ev): -6.0142 -6.0138 -5.7596 -5.7586 -5.4865 -5.4835 -5.3320 -5.3274 -0.2998 -0.2750 0.0656 0.0872 0.8137 0.8427 0.8722 0.9112 0.9845 1.0360 1.0941 1.1176 1.2189 1.3478 1.3892 1.4255 1.4722 1.4812 1.6221 1.6979 1.7773 1.8757 1.9884 2.0136 2.1877 2.1978 2.3732 2.5030 2.5516 2.5851 2.7434 2.7736 3.2635 3.3118 3.6254 3.6678 3.7902 3.8632 4.1052 4.1246 4.5742 4.6149 5.1175 5.1613 7.9299 8.0268 8.1323 8.1724 8.3327 8.3713 9.1756 9.2109 9.5776 9.6160 k = 0.1003 0.5497 0.3789 ( 8343 PWs) bands (ev): -6.0206 -6.0203 -5.7622 -5.7614 -5.4696 -5.4664 -5.3376 -5.3332 -0.3029 -0.2823 0.0743 0.0924 0.8101 0.8368 0.8699 0.9043 0.9879 1.0324 1.0959 1.1152 1.2283 1.3430 1.3946 1.4429 1.4645 1.4951 1.6217 1.6899 1.7888 1.8784 1.9852 2.0013 2.1849 2.2018 2.3572 2.4907 2.5188 2.5590 2.7397 2.7663 3.2775 3.3208 3.6654 3.7059 3.7944 3.8623 4.1164 4.1350 4.5450 4.5836 5.0974 5.1417 7.9666 8.0590 8.1380 8.1746 8.3763 8.4184 9.2533 9.2924 9.5714 9.6057 k = 0.0802 0.5438 0.3863 ( 8344 PWs) bands (ev): -6.0259 -6.0256 -5.7645 -5.7639 -5.4536 -5.4504 -5.3439 -5.3397 -0.3053 -0.2887 0.0818 0.0965 0.8075 0.8304 0.8690 0.8975 0.9916 1.0279 1.0979 1.1135 1.2389 1.3349 1.3995 1.4526 1.4682 1.5085 1.6208 1.6798 1.8043 1.8826 1.9791 1.9887 2.1809 2.2010 2.3454 2.4601 2.5090 2.5402 2.7375 2.7598 3.2910 3.3280 3.7008 3.7392 3.7986 3.8608 4.1261 4.1489 4.5187 4.5534 5.0790 5.1207 8.0007 8.0836 8.1430 8.1762 8.4246 8.4648 9.3282 9.3711 9.5584 9.5924 k = 0.0602 0.5380 0.3936 ( 8353 PWs) bands (ev): -6.0300 -6.0298 -5.7665 -5.7660 -5.4389 -5.4358 -5.3507 -5.3469 -0.3067 -0.2943 0.0881 0.0992 0.8061 0.8240 0.8692 0.8912 0.9957 1.0231 1.1000 1.1119 1.2505 1.3246 1.4050 1.4465 1.4881 1.5202 1.6200 1.6679 1.8234 1.8880 1.9696 1.9760 2.1764 2.1954 2.3407 2.4291 2.5056 2.5268 2.7365 2.7539 3.3036 3.3329 3.7304 3.7636 3.8056 3.8582 4.1376 4.1612 4.4967 4.5255 5.0644 5.0998 8.0309 8.0986 8.1495 8.1773 8.4728 8.5070 9.3935 9.4393 9.5425 9.5816 k = 0.0401 0.5321 0.4010 ( 8341 PWs) bands (ev): -6.0330 -6.0328 -5.7679 -5.7675 -5.4261 -5.4233 -5.3575 -5.3542 -0.3071 -0.2988 0.0932 0.1007 0.8059 0.8182 0.8707 0.8855 0.9999 1.0183 1.1022 1.1102 1.2626 1.3129 1.4112 1.4393 1.5073 1.5291 1.6205 1.6548 1.8449 1.8934 1.9575 1.9635 2.1729 2.1872 2.3433 2.4029 2.5042 2.5173 2.7368 2.7488 3.3147 3.3350 3.7529 3.7758 3.8178 3.8547 4.1504 4.1698 4.4807 4.5014 5.0551 5.0809 8.0564 8.1034 8.1582 8.1775 8.5154 8.5404 9.4342 9.4712 9.5487 9.5893 k = 0.0201 0.5262 0.4084 ( 8343 PWs) bands (ev): -6.0347 -6.0346 -5.7687 -5.7685 -5.4163 -5.4145 -5.3628 -5.3607 -0.3066 -0.3024 0.0970 0.1008 0.8070 0.8133 0.8730 0.8805 1.0043 1.0135 1.1043 1.1084 1.2752 1.3006 1.4179 1.4320 1.5224 1.5334 1.6236 1.6419 1.8668 1.8948 1.9468 1.9523 2.1717 2.1793 2.3517 2.3816 2.5044 2.5107 2.7383 2.7444 3.3237 3.3342 3.7679 3.7789 3.8314 3.8497 4.1623 4.1731 4.4724 4.4833 5.0521 5.0658 8.0764 8.1002 8.1667 8.1763 8.5470 8.5602 9.4452 9.4621 9.5850 9.6194 k = 0.0000 0.5203 0.4157 ( 8340 PWs) bands (ev): -6.0353 -6.0353 -5.7689 -5.7689 -5.4118 -5.4118 -5.3642 -5.3642 -0.3050 -0.3050 0.0995 0.0995 0.8095 0.8095 0.8764 0.8764 1.0088 1.0088 1.1064 1.1064 1.2879 1.2879 1.4249 1.4249 1.5314 1.5314 1.6309 1.6309 1.8855 1.8855 1.9451 1.9451 2.1738 2.1738 2.3646 2.3646 2.5065 2.5065 2.7409 2.7409 3.3304 3.3304 3.7762 3.7762 3.8422 3.8422 4.1705 4.1705 4.4732 4.4732 5.0559 5.0559 8.0910 8.0910 8.1729 8.1729 8.5627 8.5627 9.4502 9.4502 9.6181 9.6181 k = 0.0000 0.5203 0.4157 ( 8340 PWs) bands (ev): -6.0353 -6.0353 -5.7689 -5.7689 -5.4118 -5.4118 -5.3642 -5.3642 -0.3050 -0.3050 0.0995 0.0995 0.8095 0.8095 0.8764 0.8764 1.0088 1.0088 1.1064 1.1064 1.2879 1.2879 1.4249 1.4249 1.5314 1.5314 1.6309 1.6309 1.8855 1.8855 1.9451 1.9451 2.1738 2.1738 2.3646 2.3646 2.5065 2.5065 2.7409 2.7409 3.3304 3.3304 3.7762 3.7762 3.8422 3.8422 4.1705 4.1705 4.4732 4.4732 5.0559 5.0559 8.0910 8.0910 8.1729 8.1729 8.5627 8.5627 9.4502 9.4502 9.6181 9.6181 k = 0.0100 0.5070 0.4324 ( 8336 PWs) bands (ev): -6.0348 -6.0347 -5.7687 -5.7685 -5.4125 -5.4122 -5.3646 -5.3644 -0.3064 -0.3032 0.0970 0.1011 0.8086 0.8107 0.8760 0.8765 1.0074 1.0099 1.0999 1.1125 1.2804 1.2932 1.4230 1.4251 1.5231 1.5387 1.6290 1.6330 1.8779 1.8869 1.9411 1.9438 2.1653 2.1845 2.3605 2.3700 2.5036 2.5112 2.7413 2.7438 3.3336 3.3339 3.7768 3.7789 3.8375 3.8521 4.1660 4.1793 4.4741 4.4757 5.0525 5.0578 8.0845 8.0895 8.1694 8.1720 8.5574 8.5665 9.4454 9.4599 9.6092 9.6182 k = 0.0200 0.4937 0.4490 ( 8330 PWs) bands (ev): -6.0333 -6.0331 -5.7677 -5.7675 -5.4142 -5.4137 -5.3655 -5.3653 -0.3074 -0.3010 0.0933 0.1015 0.8078 0.8119 0.8754 0.8764 1.0056 1.0107 1.0930 1.1181 1.2711 1.2959 1.4187 1.4244 1.5141 1.5449 1.6277 1.6348 1.8645 1.8827 1.9334 1.9367 2.1600 2.1938 2.3592 2.3762 2.5027 2.5154 2.7472 2.7502 3.3436 3.3437 3.7808 3.7844 3.8378 3.8671 4.1661 4.1924 4.4785 4.4816 5.0477 5.0582 8.0689 8.0803 8.1633 8.1671 8.5506 8.5685 9.4424 9.4728 9.5918 9.6107 k = 0.0300 0.4805 0.4656 ( 8338 PWs) bands (ev): -6.0308 -6.0304 -5.7662 -5.7659 -5.4170 -5.4163 -5.3671 -5.3667 -0.3080 -0.2984 0.0886 0.1008 0.8071 0.8133 0.8745 0.8761 1.0034 1.0111 1.0859 1.1231 1.2605 1.2954 1.4119 1.4235 1.5045 1.5498 1.6273 1.6360 1.8464 1.8736 1.9236 1.9246 2.1567 2.1973 2.3623 2.3836 2.5029 2.5155 2.7622 2.7624 3.3590 3.3598 3.7878 3.7919 3.8433 3.8871 4.1706 4.2095 4.4864 4.4910 5.0415 5.0572 8.0435 8.0631 8.1563 8.1596 8.5429 8.5688 9.4335 9.4817 9.5667 9.5980 k = 0.0400 0.4672 0.4822 ( 8338 PWs) bands (ev): -6.0272 -6.0267 -5.7641 -5.7636 -5.4209 -5.4199 -5.3692 -5.3687 -0.3081 -0.2954 0.0830 0.0990 0.8067 0.8146 0.8732 0.8758 1.0009 1.0111 1.0784 1.1275 1.2490 1.2919 1.4024 1.4226 1.4948 1.5532 1.6276 1.6361 1.8251 1.8608 1.9093 1.9131 2.1530 2.1920 2.3684 2.3918 2.5051 2.5106 2.7825 2.7886 3.3788 3.3813 3.7963 3.8007 3.8545 3.9118 4.1795 4.2302 4.4981 4.5040 5.0337 5.0545 8.0095 8.0382 8.1490 8.1510 8.5345 8.5676 9.4095 9.4732 9.5329 9.5780 k = 0.0500 0.4539 0.4989 ( 8348 PWs) bands (ev): -6.0226 -6.0220 -5.7613 -5.7607 -5.4258 -5.4246 -5.3719 -5.3714 -0.3077 -0.2919 0.0763 0.0961 0.8065 0.8159 0.8715 0.8754 0.9979 1.0107 1.0708 1.1314 1.2370 1.2855 1.3906 1.4212 1.4858 1.5552 1.6285 1.6347 1.8024 1.8452 1.8929 1.9026 2.1462 2.1778 2.3706 2.3974 2.5058 2.5147 2.8107 2.8253 3.4025 3.4075 3.8047 3.8097 3.8722 3.9407 4.1925 4.2539 4.5138 4.5207 5.0243 5.0501 7.9690 8.0071 8.1408 8.1418 8.5259 8.5648 9.3672 9.4396 9.4902 9.5472 k = 0.0600 0.4406 0.5155 ( 8342 PWs) bands (ev): -6.0170 -6.0163 -5.7580 -5.7573 -5.4316 -5.4302 -5.3752 -5.3746 -0.3068 -0.2881 0.0688 0.0921 0.8064 0.8170 0.8693 0.8751 0.9947 1.0099 1.0632 1.1346 1.2248 1.2770 1.3770 1.4181 1.4786 1.5557 1.6294 1.6316 1.7797 1.8277 1.8766 1.8927 2.1352 2.1568 2.3616 2.3923 2.5121 2.5375 2.8459 2.8691 3.4301 3.4380 3.8115 3.8181 3.8964 3.9736 4.2092 4.2799 4.5338 4.5413 5.0131 5.0440 7.9246 7.9719 8.1308 8.1314 8.5176 8.5605 9.3103 9.3849 9.4445 9.5100 k = 0.0700 0.4273 0.5321 ( 8342 PWs) bands (ev): -6.0104 -6.0096 -5.7542 -5.7534 -5.4383 -5.4367 -5.3791 -5.3783 -0.3054 -0.2838 0.0605 0.0869 0.8063 0.8179 0.8668 0.8748 0.9910 1.0087 1.0554 1.1371 1.2127 1.2670 1.3621 1.4121 1.4746 1.5547 1.6264 1.6300 1.7584 1.8094 1.8613 1.8838 2.1201 2.1310 2.3415 2.3731 2.5348 2.5730 2.8857 2.9165 3.4620 3.4727 3.8166 3.8251 3.9260 4.0096 4.2290 4.3074 4.5581 4.5655 5.0002 5.0360 7.8786 7.9348 8.1183 8.1193 8.5097 8.5549 9.2439 9.3169 9.3988 9.4691 k = 0.0800 0.4140 0.5488 ( 8338 PWs) bands (ev): -6.0029 -6.0020 -5.7500 -5.7491 -5.4459 -5.4441 -5.3835 -5.3826 -0.3035 -0.2791 0.0513 0.0808 0.8064 0.8184 0.8638 0.8746 0.9869 1.0069 1.0478 1.1390 1.2012 1.2563 1.3466 1.4027 1.4739 1.5520 1.6188 1.6298 1.7393 1.7912 1.8471 1.8758 2.1018 2.1021 2.3141 2.3450 2.5698 2.6175 2.9279 2.9648 3.4988 3.5117 3.8200 3.8306 3.9596 4.0482 4.2515 4.3355 4.5865 4.5931 4.9854 5.0262 7.8326 7.8975 8.1025 8.1046 8.5023 8.5477 9.1718 9.2416 9.3531 9.4261 k = 0.0900 0.4007 0.5654 ( 8344 PWs) bands (ev): -5.9945 -5.9934 -5.7454 -5.7444 -5.4541 -5.4522 -5.3884 -5.3875 -0.3010 -0.2739 0.0414 0.0736 0.8063 0.8184 0.8605 0.8745 0.9823 1.0045 1.0403 1.1404 1.1906 1.2454 1.3308 1.3909 1.4756 1.5475 1.6088 1.6282 1.7230 1.7738 1.8339 1.8686 2.0714 2.0817 2.2829 2.3130 2.6128 2.6677 2.9705 3.0113 3.5414 3.5550 3.8219 3.8344 3.9957 4.0884 4.2759 4.3638 4.6185 4.6235 4.9686 5.0147 7.7881 7.8615 8.0831 8.0869 8.4951 8.5388 9.0964 9.1626 9.3079 9.3816 k = 0.1000 0.3875 0.5820 ( 8346 PWs) bands (ev): -5.9851 -5.9840 -5.7405 -5.7395 -5.4630 -5.4609 -5.3939 -5.3929 -0.2979 -0.2683 0.0308 0.0654 0.8062 0.8178 0.8569 0.8744 0.9774 1.0015 1.0331 1.1413 1.1811 1.2350 1.3154 1.3780 1.4785 1.5411 1.5963 1.6249 1.7095 1.7577 1.8217 1.8622 2.0402 2.0609 2.2502 2.2798 2.6608 2.7216 3.0120 3.0544 3.5904 3.6026 3.8225 3.8371 4.0332 4.1295 4.3017 4.3919 4.6531 4.6558 4.9501 5.0017 7.7463 7.8279 8.0597 8.0659 8.4878 8.5278 9.0194 9.0818 9.2644 9.3361 k = 0.1100 0.3742 0.5986 ( 8346 PWs) bands (ev): -5.9749 -5.9737 -5.7355 -5.7344 -5.4724 -5.4702 -5.3999 -5.3989 -0.2942 -0.2621 0.0197 0.0564 0.8059 0.8166 0.8530 0.8745 0.9722 0.9978 1.0263 1.1417 1.1730 1.2254 1.3008 1.3651 1.4817 1.5327 1.5817 1.6194 1.6986 1.7432 1.8104 1.8563 2.0093 2.0405 2.2174 2.2471 2.7123 2.7778 3.0515 3.0931 3.6455 3.6537 3.8222 3.8396 4.0707 4.1707 4.3285 4.4197 4.6890 4.6890 4.9301 4.9876 7.7080 7.7974 8.0325 8.0414 8.4794 8.5141 8.9422 9.0005 9.2241 9.2910 k = 0.1200 0.3609 0.6153 ( 8336 PWs) bands (ev): -5.9639 -5.9626 -5.7305 -5.7293 -5.4821 -5.4798 -5.4064 -5.4053 -0.2899 -0.2555 0.0080 0.0465 0.8054 0.8147 0.8491 0.8746 0.9669 0.9935 1.0201 1.1419 1.1664 1.2171 1.2874 1.3529 1.4844 1.5220 1.5654 1.6114 1.6900 1.7309 1.8000 1.8504 1.9800 2.0215 2.1856 2.2157 2.7660 2.8350 3.0885 3.1271 3.7059 3.7063 3.8216 3.8438 4.1074 4.2113 4.3558 4.4469 4.7211 4.7244 4.9096 4.9734 7.6739 7.7704 8.0019 8.0137 8.4690 8.4970 8.8657 8.9197 9.1892 9.2485 k = 0.1300 0.3476 0.6319 ( 8342 PWs) bands (ev): -5.9522 -5.9507 -5.7256 -5.7244 -5.4919 -5.4895 -5.4133 -5.4122 -0.2850 -0.2483 -0.0042 0.0358 0.8044 0.8123 0.8452 0.8746 0.9614 0.9885 1.0143 1.1417 1.1615 1.2104 1.2753 1.3419 1.4859 1.5090 1.5479 1.6005 1.6833 1.7209 1.7903 1.8439 1.9534 2.0046 2.1553 2.1863 2.8209 2.8923 3.1229 3.1567 3.7548 3.7689 3.8227 3.8548 4.1424 4.2507 4.3830 4.4737 4.7495 4.7570 4.8904 4.9603 7.6442 7.7472 7.9684 7.9833 8.4554 8.4759 8.7905 8.8402 9.1615 9.2117 k = 0.1400 0.3343 0.6485 ( 8338 PWs) bands (ev): -5.9397 -5.9382 -5.7212 -5.7200 -5.5015 -5.4991 -5.4207 -5.4195 -0.2794 -0.2407 -0.0167 0.0244 0.8030 0.8093 0.8415 0.8745 0.9562 0.9830 1.0092 1.1412 1.1584 1.2057 1.2650 1.3322 1.4851 1.4939 1.5300 1.5869 1.6783 1.7132 1.7813 1.8359 1.9308 1.9902 2.1270 2.1592 2.8761 2.9487 3.1549 3.1825 3.7880 3.8095 3.8486 3.8834 4.1752 4.2885 4.4097 4.4999 4.7690 4.7841 4.8772 4.9504 7.6193 7.7278 7.9328 7.9511 8.4377 8.4508 8.7173 8.7626 9.1426 9.1830 k = 0.1500 0.3210 0.6652 ( 8342 PWs) bands (ev): -5.9265 -5.9250 -5.7174 -5.7163 -5.5107 -5.5083 -5.4284 -5.4272 -0.2733 -0.2325 -0.0294 0.0125 0.8011 0.8058 0.8380 0.8742 0.9514 0.9772 1.0045 1.1404 1.1569 1.2032 1.2565 1.3242 1.4767 1.4805 1.5134 1.5710 1.6748 1.7076 1.7728 1.8255 1.9136 1.9785 2.1009 2.1345 2.9304 3.0030 3.1848 3.2053 3.8033 3.8136 3.9119 3.9314 4.2058 4.3246 4.4350 4.5256 4.7725 4.8026 4.8766 4.9463 7.5991 7.7120 7.8960 7.9181 8.4158 8.4219 8.6468 8.6876 9.1334 9.1644 k = 0.1600 0.3077 0.6818 ( 8356 PWs) bands (ev): -5.9128 -5.9111 -5.7148 -5.7137 -5.5190 -5.5166 -5.4365 -5.4353 -0.2665 -0.2238 -0.0424 -0.0000 0.7987 0.8021 0.8348 0.8734 0.9473 0.9712 1.0003 1.1394 1.1572 1.2030 1.2500 1.3176 1.4577 1.4698 1.5002 1.5534 1.6727 1.7038 1.7648 1.8126 1.9020 1.9697 2.0771 2.1122 2.9830 3.0541 3.2129 3.2256 3.8115 3.8152 3.9754 3.9868 4.2351 4.3587 4.4584 4.5505 4.7613 4.8111 4.8879 4.9491 7.5834 7.6995 7.8591 7.8853 8.3899 8.3904 8.5795 8.6157 9.1337 9.1565 k = 0.1700 0.2945 0.6984 ( 8362 PWs) bands (ev): -5.8985 -5.8968 -5.7135 -5.7126 -5.5259 -5.5238 -5.4449 -5.4437 -0.2592 -0.2145 -0.0555 -0.0129 0.7960 0.7983 0.8319 0.8722 0.9439 0.9654 0.9966 1.1383 1.1592 1.2051 1.2456 1.3125 1.4372 1.4532 1.4906 1.5349 1.6720 1.7012 1.7576 1.7983 1.8952 1.9635 2.0556 2.0922 3.0327 3.1009 3.2394 3.2441 3.8183 3.8195 4.0311 4.0414 4.2654 4.3909 4.4790 4.5749 4.7443 4.8118 4.9027 4.9564 7.5720 7.6899 7.8230 7.8540 8.3575 8.3612 8.5160 8.5476 9.1429 9.1590 k = 0.1800 0.2812 0.7151 ( 8348 PWs) bands (ev): -5.8838 -5.8821 -5.7141 -5.7134 -5.5312 -5.5293 -5.4535 -5.4524 -0.2514 -0.2048 -0.0685 -0.0260 0.7931 0.7946 0.8293 0.8706 0.9415 0.9599 0.9931 1.1371 1.1628 1.2094 1.2432 1.3088 1.4157 1.4338 1.4819 1.5162 1.6727 1.6997 1.7511 1.7837 1.8920 1.9597 2.0364 2.0745 3.0783 3.1425 3.2614 3.2640 3.8242 3.8302 4.0727 4.0902 4.3003 4.4210 4.4966 4.5987 4.7285 4.8088 4.9155 4.9640 7.5645 7.6826 7.7888 7.8252 8.3248 8.3312 8.4567 8.4839 9.1598 9.1710 k = 0.1900 0.2679 0.7317 ( 8354 PWs) bands (ev): -5.8687 -5.8670 -5.7167 -5.7164 -5.5345 -5.5329 -5.4624 -5.4612 -0.2431 -0.1946 -0.0813 -0.0394 0.7902 0.7911 0.8269 0.8686 0.9400 0.9549 0.9900 1.1361 1.1678 1.2157 1.2428 1.3062 1.3937 1.4135 1.4729 1.4980 1.6747 1.6987 1.7454 1.7699 1.8910 1.9579 2.0194 2.0587 3.1186 3.1784 3.2777 3.2862 3.8336 3.8453 4.0958 4.1286 4.3418 4.4485 4.5116 4.6223 4.7180 4.8055 4.9237 4.9681 7.5602 7.6772 7.7574 7.8000 8.2940 8.3016 8.4025 8.4252 9.1833 9.1911 k = 0.2000 0.2546 0.7483 ( 8358 PWs) bands (ev): -5.8534 -5.8516 -5.7218 -5.7217 -5.5355 -5.5343 -5.4713 -5.4702 -0.2346 -0.1839 -0.0938 -0.0528 0.7875 0.7879 0.8248 0.8663 0.9393 0.9506 0.9871 1.1352 1.1741 1.2238 1.2441 1.3046 1.3716 1.3932 1.4635 1.4808 1.6777 1.6982 1.7406 1.7573 1.8916 1.9578 2.0046 2.0448 3.1525 3.2087 3.2931 3.3050 3.8473 3.8657 4.1008 4.1531 4.3874 4.4723 4.5261 4.6462 4.7153 4.8039 4.9263 4.9667 7.5586 7.6729 7.7295 7.7790 8.2665 8.2743 8.3539 8.3723 9.2121 9.2178 k = 0.2100 0.2413 0.7649 ( 8356 PWs) bands (ev): -5.8379 -5.8361 -5.7293 -5.7290 -5.5344 -5.5335 -5.4802 -5.4792 -0.2260 -0.1729 -0.1058 -0.0662 0.7851 0.7852 0.8230 0.8641 0.9393 0.9471 0.9846 1.1345 1.1814 1.2336 1.2472 1.3035 1.3500 1.3736 1.4544 1.4654 1.6817 1.6979 1.7367 1.7460 1.8932 1.9591 1.9920 2.0327 3.1795 3.2338 3.3073 3.3194 3.8658 3.8914 4.0916 4.1615 4.4317 4.4907 4.5422 4.6709 4.7208 4.8050 4.9228 4.9587 7.5589 7.6695 7.7058 7.7627 8.2435 8.2507 8.3117 8.3260 9.2449 9.2496 k = 0.2200 0.2280 0.7816 ( 8352 PWs) bands (ev): -5.8223 -5.8206 -5.7390 -5.7384 -5.5313 -5.5308 -5.4890 -5.4881 -0.2177 -0.1616 -0.1167 -0.0794 0.7831 0.7831 0.8215 0.8620 0.9397 0.9443 0.9824 1.1340 1.1890 1.2448 1.2518 1.3024 1.3295 1.3555 1.4461 1.4523 1.6863 1.6978 1.7337 1.7361 1.8953 1.9613 1.9816 2.0225 3.1996 3.2541 3.3197 3.3292 3.8889 3.9213 4.0722 4.1550 4.4694 4.5036 4.5591 4.6958 4.7337 4.8100 4.9139 4.9440 7.5602 7.6665 7.6869 7.7510 8.2263 8.2323 8.2765 8.2869 9.2806 9.2850 k = 0.2300 0.2147 0.7982 ( 8352 PWs) bands (ev): -5.8070 -5.8053 -5.7504 -5.7496 -5.5265 -5.5264 -5.4977 -5.4969 -0.2103 -0.1504 -0.1259 -0.0920 0.7816 0.7816 0.8203 0.8603 0.9402 0.9423 0.9807 1.1336 1.1960 1.2572 1.2582 1.2998 1.3105 1.3402 1.4395 1.4423 1.6912 1.6978 1.7277 1.7315 1.8974 1.9639 1.9737 2.0143 3.2133 3.2695 3.3293 3.3346 3.9162 3.9529 4.0460 4.1379 4.4972 4.5123 4.5733 4.7182 4.7513 4.8205 4.9011 4.9234 7.5619 7.6641 7.6732 7.7434 8.2159 8.2200 8.2489 8.2558 9.3180 9.3224 k = 0.2400 0.2014 0.8148 ( 8370 PWs) bands (ev): -5.7919 -5.7903 -5.7632 -5.7621 -5.5206 -5.5205 -5.5059 -5.5052 -0.2049 -0.1402 -0.1325 -0.1031 0.7806 0.7806 0.8196 0.8593 0.9406 0.9411 0.9796 1.1334 1.2012 1.2665 1.2702 1.2937 1.2939 1.3301 1.4352 1.4359 1.6957 1.6978 1.7211 1.7303 1.8990 1.9661 1.9687 2.0088 3.2212 3.2795 3.3354 3.3369 3.9460 3.9809 4.0162 4.1177 4.5138 4.5175 4.5824 4.7335 4.7681 4.8378 4.8881 4.8991 7.5633 7.6626 7.6648 7.7392 8.2131 8.2149 8.2296 8.2331 9.3552 9.3591 k = 0.2500 0.1882 0.8315 ( 8368 PWs) bands (ev): -5.7791 -5.7764 -5.7752 -5.7752 -5.5148 -5.5148 -5.5124 -5.5116 -0.2028 -0.1349 -0.1349 -0.1086 0.7803 0.7803 0.8194 0.8589 0.9407 0.9407 0.9792 1.1333 1.2031 1.2743 1.2829 1.2833 1.2833 1.3268 1.4337 1.4337 1.6978 1.6978 1.7183 1.7298 1.8996 1.9670 1.9670 2.0068 3.2237 3.2830 3.3374 3.3374 3.9686 3.9935 3.9935 4.1074 4.5193 4.5193 4.5855 4.7388 4.7756 4.8524 4.8821 4.8821 7.5638 7.6620 7.6620 7.7379 8.2159 8.2172 8.2204 8.2204 9.3823 9.3823 k = 0.2500 0.1882 0.8315 ( 8368 PWs) bands (ev): -5.7791 -5.7764 -5.7752 -5.7752 -5.5148 -5.5148 -5.5124 -5.5116 -0.2028 -0.1349 -0.1349 -0.1086 0.7803 0.7803 0.8194 0.8589 0.9407 0.9407 0.9792 1.1333 1.2031 1.2743 1.2829 1.2833 1.2833 1.3268 1.4337 1.4337 1.6978 1.6978 1.7183 1.7298 1.8996 1.9670 1.9670 2.0068 3.2237 3.2830 3.3374 3.3374 3.9686 3.9935 3.9935 4.1074 4.5193 4.5193 4.5855 4.7388 4.7756 4.8524 4.8821 4.8821 7.5638 7.6620 7.6620 7.7379 8.2159 8.2172 8.2204 8.2204 9.3823 9.3823 k = 0.2647 0.1992 0.8176 ( 8371 PWs) bands (ev): -5.7855 -5.7839 -5.7691 -5.7681 -5.5179 -5.5177 -5.5092 -5.5085 -0.2036 -0.1389 -0.1324 -0.1070 0.7805 0.7805 0.8193 0.8588 0.9389 0.9433 0.9794 1.1320 1.2039 1.2654 1.2790 1.2879 1.2935 1.3286 1.4311 1.4379 1.6921 1.7020 1.7191 1.7290 1.9005 1.9557 1.9799 2.0083 3.2210 3.2787 3.3224 3.3449 3.9551 3.9951 4.0025 4.1117 4.5122 4.5262 4.5842 4.7325 4.7810 4.8472 4.8850 4.8925 7.5577 7.6553 7.6577 7.7315 8.2202 8.2204 8.2249 8.2324 9.3680 9.3749 k = 0.2794 0.2103 0.8037 ( 8369 PWs) bands (ev): -5.7927 -5.7912 -5.7624 -5.7616 -5.5213 -5.5212 -5.5051 -5.5044 -0.2054 -0.1453 -0.1292 -0.1038 0.7808 0.7811 0.8193 0.8586 0.9378 0.9465 0.9800 1.1283 1.2062 1.2544 1.2769 1.2977 1.3044 1.3330 1.4298 1.4434 1.6860 1.7031 1.7216 1.7264 1.9036 1.9456 1.9945 2.0120 3.2123 3.2667 3.3018 3.3444 3.9308 3.9853 4.0250 4.1247 4.5055 4.5324 4.5810 4.7182 4.7952 4.8398 4.8982 4.9080 7.5371 7.6370 7.6425 7.7161 8.2359 8.2360 8.2436 8.2541 9.3471 9.3583 k = 0.2941 0.2214 0.7899 ( 8363 PWs) bands (ev): -5.7992 -5.7978 -5.7568 -5.7560 -5.5243 -5.5242 -5.5013 -5.5004 -0.2077 -0.1522 -0.1257 -0.1006 0.7809 0.7815 0.8199 0.8589 0.9372 0.9504 0.9809 1.1230 1.2091 1.2455 1.2780 1.3087 1.3156 1.3394 1.4295 1.4498 1.6796 1.7018 1.7222 1.7253 1.9087 1.9371 2.0103 2.0178 3.1968 3.2477 3.2786 3.3368 3.9058 3.9669 4.0491 4.1419 4.4994 4.5368 4.5772 4.7027 4.8132 4.8370 4.9150 4.9268 7.5017 7.5980 7.6276 7.6982 8.2595 8.2631 8.2774 8.2839 9.3259 9.3402 k = 0.3088 0.2324 0.7760 ( 8355 PWs) bands (ev): -5.8050 -5.8036 -5.7520 -5.7515 -5.5268 -5.5267 -5.4979 -5.4970 -0.2101 -0.1591 -0.1223 -0.0978 0.7806 0.7814 0.8213 0.8600 0.9372 0.9550 0.9821 1.1169 1.2119 1.2391 1.2823 1.3206 1.3270 1.3472 1.4300 1.4571 1.6732 1.6990 1.7169 1.7288 1.9156 1.9305 2.0254 2.0268 3.1741 3.2230 3.2552 3.3231 3.8829 3.9443 4.0703 4.1577 4.4935 4.5362 4.5763 4.6892 4.8318 4.8395 4.9344 4.9489 7.4552 7.5450 7.6120 7.6799 8.2890 8.2992 8.3208 8.3228 9.3054 9.3222 k = 0.3235 0.2435 0.7622 ( 8359 PWs) bands (ev): -5.8098 -5.8084 -5.7482 -5.7479 -5.5288 -5.5287 -5.4953 -5.4942 -0.2123 -0.1656 -0.1192 -0.0958 0.7798 0.7809 0.8236 0.8618 0.9379 0.9600 0.9838 1.1107 1.2146 1.2350 1.2891 1.3331 1.3383 1.3565 1.4314 1.4649 1.6669 1.6951 1.7106 1.7316 1.9240 1.9261 2.0346 2.0438 3.1450 3.1938 3.2325 3.3039 3.8636 3.9206 4.0857 4.1683 4.4878 4.5286 4.5810 4.6785 4.8455 4.8479 4.9567 4.9750 7.4032 7.4851 7.5957 7.6609 8.3237 8.3417 8.3636 8.3759 9.2859 9.3048 k = 0.3382 0.2546 0.7483 ( 8351 PWs) bands (ev): -5.8137 -5.8124 -5.7453 -5.7451 -5.5303 -5.5301 -5.4934 -5.4922 -0.2139 -0.1713 -0.1166 -0.0946 0.7788 0.7800 0.8267 0.8640 0.9395 0.9651 0.9863 1.1045 1.2173 1.2331 1.2975 1.3450 1.3503 1.3669 1.4336 1.4732 1.6609 1.6907 1.7040 1.7330 1.9243 1.9333 2.0453 2.0611 3.1118 3.1616 3.2101 3.2800 3.8487 3.8976 4.0936 4.1720 4.4824 4.5166 4.5893 4.6708 4.8527 4.8597 4.9822 5.0048 7.3507 7.4237 7.5785 7.6410 8.3624 8.3886 8.4111 8.4340 9.2672 9.2880 k = 0.3529 0.2656 0.7345 ( 8349 PWs) bands (ev): -5.8167 -5.8154 -5.7432 -5.7432 -5.5312 -5.5310 -5.4923 -5.4911 -0.2147 -0.1762 -0.1144 -0.0941 0.7778 0.7793 0.8302 0.8662 0.9423 0.9700 0.9899 1.0987 1.2203 1.2333 1.3065 1.3547 1.3638 1.3782 1.4369 1.4817 1.6552 1.6858 1.6973 1.7328 1.9252 1.9432 2.0574 2.0786 3.0766 3.1276 3.1875 3.2523 3.8383 3.8761 4.0934 4.1682 4.4776 4.5033 4.5989 4.6656 4.8587 4.8671 5.0102 5.0362 7.3019 7.3652 7.5608 7.6206 8.4044 8.4382 8.4623 8.4953 9.2494 9.2717 k = 0.3676 0.2767 0.7206 ( 8345 PWs) bands (ev): -5.8186 -5.8174 -5.7421 -5.7420 -5.5317 -5.5314 -5.4921 -5.4909 -0.2145 -0.1800 -0.1127 -0.0943 0.7773 0.7790 0.8336 0.8678 0.9463 0.9741 0.9950 1.0932 1.2238 1.2352 1.3155 1.3620 1.3785 1.3902 1.4412 1.4901 1.6500 1.6808 1.6910 1.7309 1.9289 1.9533 2.0707 2.0959 3.0412 3.0930 3.1648 3.2222 3.8318 3.8567 4.0853 4.1573 4.4736 4.4906 4.6085 4.6622 4.8624 4.8707 5.0386 5.0660 7.2602 7.3131 7.5429 7.6002 8.4489 8.4899 8.5159 8.5585 9.2323 9.2558 k = 0.3824 0.2878 0.7068 ( 8348 PWs) bands (ev): -5.8195 -5.8183 -5.7420 -5.7417 -5.5316 -5.5312 -5.4929 -5.4915 -0.2132 -0.1827 -0.1116 -0.0952 0.7773 0.7794 0.8368 0.8684 0.9515 0.9774 1.0016 1.0881 1.2282 1.2388 1.3242 1.3671 1.3937 1.4024 1.4466 1.4981 1.6455 1.6758 1.6858 1.7274 1.9352 1.9634 2.0850 2.1128 3.0070 3.0584 3.1423 3.1913 3.8286 3.8394 4.0697 4.1398 4.4709 4.4797 4.6173 4.6595 4.8639 4.8715 5.0643 5.0909 7.2287 7.2703 7.5251 7.5800 8.4952 8.5429 8.5708 8.6225 9.2153 9.2399 k = 0.3971 0.2988 0.6929 ( 8344 PWs) bands (ev): -5.8193 -5.8182 -5.7428 -5.7424 -5.5310 -5.5306 -5.4944 -5.4931 -0.2108 -0.1842 -0.1109 -0.0966 0.7782 0.7805 0.8397 0.8682 0.9578 0.9800 1.0093 1.0835 1.2335 1.2439 1.3322 1.3701 1.4091 1.4142 1.4527 1.5052 1.6419 1.6712 1.6821 1.7228 1.9436 1.9731 2.1000 2.1288 2.9750 3.0248 3.1208 3.1610 3.8241 3.8279 4.0473 4.1165 4.4697 4.4715 4.6243 4.6563 4.8638 4.8710 5.0843 5.1078 7.2096 7.2394 7.5078 7.5605 8.5429 8.5966 8.6261 8.6863 9.1980 9.2234 k = 0.4118 0.3099 0.6791 ( 8341 PWs) bands (ev): -5.8180 -5.8169 -5.7446 -5.7441 -5.5299 -5.5294 -5.4966 -5.4953 -0.2073 -0.1845 -0.1108 -0.0986 0.7798 0.7823 0.8424 0.8672 0.9646 0.9824 1.0177 1.0793 1.2397 1.2502 1.3394 1.3713 1.4242 1.4252 1.4591 1.5112 1.6394 1.6670 1.6806 1.7178 1.9536 1.9821 2.1152 2.1436 2.9462 2.9928 3.1009 3.1325 3.8107 3.8289 4.0189 4.0882 4.4663 4.4703 4.6288 4.6514 4.8632 4.8705 5.0956 5.1145 7.2046 7.2223 7.4914 7.5419 8.5915 8.6506 8.6808 8.7488 9.1796 9.2054 k = 0.4265 0.3210 0.6652 ( 8346 PWs) bands (ev): -5.8156 -5.8146 -5.7476 -5.7471 -5.5283 -5.5278 -5.4994 -5.4981 -0.2026 -0.1837 -0.1110 -0.1009 0.7820 0.7846 0.8449 0.8658 0.9716 0.9847 1.0264 1.0757 1.2471 1.2576 1.3457 1.3711 1.4350 1.4384 1.4655 1.5154 1.6381 1.6633 1.6815 1.7130 1.9645 1.9903 2.1302 2.1566 2.9214 2.9632 3.0834 3.1068 3.7989 3.8309 3.9855 4.0556 4.4642 4.4729 4.6295 4.6435 4.8635 4.8714 5.0962 5.1096 7.2144 7.2200 7.4759 7.5245 8.6405 8.7043 8.7337 8.8089 9.1591 9.1851 k = 0.4412 0.3321 0.6514 ( 8354 PWs) bands (ev): -5.8121 -5.8112 -5.7521 -5.7514 -5.5263 -5.5257 -5.5025 -5.5012 -0.1970 -0.1820 -0.1115 -0.1036 0.7848 0.7872 0.8474 0.8643 0.9783 0.9870 1.0351 1.0727 1.2556 1.2658 1.3510 1.3700 1.4434 1.4509 1.4723 1.5177 1.6384 1.6603 1.6850 1.7093 1.9758 1.9975 2.1445 2.1673 2.9012 2.9367 3.0686 3.0847 3.7886 3.8333 3.9480 4.0194 4.4653 4.4771 4.6257 4.6319 4.8661 4.8748 5.0853 5.0929 7.2327 7.2385 7.4618 7.5083 8.6895 8.7564 8.7842 8.8653 9.1356 9.1613 k = 0.4559 0.3431 0.6375 ( 8353 PWs) bands (ev): -5.8075 -5.8066 -5.7580 -5.7573 -5.5237 -5.5231 -5.5057 -5.5045 -0.1907 -0.1796 -0.1122 -0.1063 0.7878 0.7898 0.8503 0.8630 0.9843 0.9893 1.0438 1.0704 1.2652 1.2745 1.3553 1.3683 1.4507 1.4600 1.4805 1.5182 1.6403 1.6579 1.6907 1.7073 1.9868 2.0035 2.1573 2.1753 2.8860 2.9140 3.0570 3.0667 3.7798 3.8351 3.9077 3.9802 4.4691 4.4827 4.6164 4.6167 4.8719 4.8812 5.0628 5.0652 7.2595 7.2755 7.4494 7.4937 8.7380 8.8051 8.8318 8.9157 9.1086 9.1332 k = 0.4706 0.3542 0.6237 ( 8353 PWs) bands (ev): -5.8017 -5.8009 -5.7657 -5.7650 -5.5207 -5.5201 -5.5087 -5.5076 -0.1841 -0.1769 -0.1127 -0.1088 0.7908 0.7921 0.8538 0.8621 0.9894 0.9917 1.0521 1.0688 1.2757 1.2831 1.3588 1.3666 1.4572 1.4652 1.4905 1.5170 1.6438 1.6560 1.6984 1.7078 1.9971 2.0083 2.1682 2.1804 2.8763 2.8956 3.0484 3.0532 3.7723 3.8327 3.8688 3.9385 4.4750 4.4884 4.5981 4.6029 4.8812 4.8904 5.0282 5.0300 7.2986 7.3225 7.4398 7.4810 8.7853 8.8458 8.8776 8.9565 9.0795 9.1018 k = 0.4853 0.3653 0.6098 ( 8350 PWs) bands (ev): -5.7949 -5.7941 -5.7753 -5.7746 -5.5173 -5.5166 -5.5112 -5.5103 -0.1781 -0.1746 -0.1125 -0.1105 0.7934 0.7941 0.8579 0.8620 0.9934 0.9941 1.0602 1.0681 1.2863 1.2906 1.3619 1.3656 1.4634 1.4680 1.5012 1.5146 1.6486 1.6547 1.7075 1.7112 2.0063 2.0118 2.1767 2.1827 2.8718 2.8817 3.0429 3.0442 3.7662 3.8060 3.8515 3.8950 4.4814 4.4912 4.5803 4.5858 4.8924 4.8999 4.9861 4.9903 7.3468 7.3718 7.4382 7.4711 8.8304 8.8706 8.9218 8.9765 9.0530 9.0722 k = 0.5000 0.3763 0.5960 ( 8362 PWs) bands (ev): -5.7874 -5.7874 -5.7857 -5.7857 -5.5139 -5.5139 -5.5119 -5.5119 -0.1735 -0.1735 -0.1107 -0.1107 0.7956 0.7956 0.8627 0.8627 0.9963 0.9963 1.0679 1.0679 1.2960 1.2960 1.3657 1.3657 1.4697 1.4697 1.5118 1.5118 1.6542 1.6542 1.7176 1.7176 2.0141 2.0141 2.1824 2.1824 2.8723 2.8723 3.0400 3.0400 3.7608 3.7608 3.8507 3.8507 4.4848 4.4848 4.5694 4.5694 4.8952 4.8952 4.9552 4.9552 7.3972 7.3972 7.4679 7.4679 8.8705 8.8705 8.9599 8.9599 9.0381 9.0381 k = 0.5000 0.3763 0.5960 ( 8362 PWs) bands (ev): -5.7874 -5.7874 -5.7857 -5.7857 -5.5139 -5.5139 -5.5119 -5.5119 -0.1735 -0.1735 -0.1107 -0.1107 0.7956 0.7956 0.8627 0.8627 0.9963 0.9963 1.0679 1.0679 1.2960 1.2960 1.3657 1.3657 1.4697 1.4697 1.5118 1.5118 1.6542 1.6542 1.7176 1.7176 2.0141 2.0141 2.1824 2.1824 2.8723 2.8723 3.0400 3.0400 3.7608 3.7608 3.8507 3.8507 4.4848 4.4848 4.5694 4.5694 4.8952 4.8952 4.9552 4.9552 7.3972 7.3972 7.4679 7.4679 8.8705 8.8705 8.9599 8.9599 9.0381 9.0381 k = 0.5000 0.3763 0.5730 ( 8368 PWs) bands (ev): -5.7912 -5.7912 -5.7896 -5.7896 -5.5115 -5.5115 -5.5094 -5.5094 -0.1707 -0.1707 -0.1081 -0.1081 0.7986 0.7986 0.8676 0.8676 1.0001 1.0001 1.0742 1.0742 1.3066 1.3066 1.3688 1.3688 1.4778 1.4778 1.5188 1.5188 1.6590 1.6590 1.7337 1.7337 2.0220 2.0220 2.1851 2.1851 2.8685 2.8685 3.0364 3.0364 3.7166 3.7166 3.8150 3.8150 4.4732 4.4732 4.5538 4.5538 4.8657 4.8657 4.9272 4.9272 7.4419 7.4419 7.5145 7.5145 8.8645 8.8645 8.9304 8.9304 9.0062 9.0062 k = 0.5000 0.3763 0.5501 ( 8360 PWs) bands (ev): -5.7959 -5.7959 -5.7944 -5.7944 -5.5082 -5.5082 -5.5060 -5.5060 -0.1685 -0.1685 -0.1061 -0.1061 0.8021 0.8021 0.8722 0.8722 1.0035 1.0035 1.0805 1.0805 1.3168 1.3168 1.3693 1.3693 1.4890 1.4890 1.5275 1.5275 1.6640 1.6640 1.7515 1.7515 2.0314 2.0314 2.1883 2.1883 2.8648 2.8648 3.0317 3.0317 3.6736 3.6736 3.7793 3.7793 4.4611 4.4611 4.5383 4.5383 4.8367 4.8367 4.8998 4.8998 7.4876 7.4876 7.5617 7.5617 8.8150 8.8150 8.8707 8.8707 8.9894 8.9894 k = 0.5000 0.3763 0.5272 ( 8376 PWs) bands (ev): -5.8014 -5.8014 -5.8000 -5.8000 -5.5038 -5.5038 -5.5016 -5.5016 -0.1668 -0.1668 -0.1049 -0.1049 0.8058 0.8058 0.8765 0.8765 1.0066 1.0066 1.0867 1.0867 1.3256 1.3256 1.3677 1.3677 1.5025 1.5025 1.5384 1.5384 1.6690 1.6690 1.7709 1.7709 2.0421 2.0421 2.1921 2.1921 2.8613 2.8613 3.0255 3.0255 3.6327 3.6327 3.7448 3.7448 4.4483 4.4483 4.5229 4.5229 4.8082 4.8082 4.8734 4.8734 7.5333 7.5333 7.6085 7.6085 8.7465 8.7465 8.7978 8.7978 8.9754 8.9754 k = 0.5000 0.3763 0.5043 ( 8366 PWs) bands (ev): -5.8078 -5.8078 -5.8065 -5.8065 -5.4985 -5.4985 -5.4962 -5.4962 -0.1657 -0.1657 -0.1045 -0.1045 0.8098 0.8098 0.8805 0.8805 1.0095 1.0095 1.0928 1.0928 1.3319 1.3319 1.3652 1.3652 1.5171 1.5171 1.5521 1.5521 1.6741 1.6741 1.7915 1.7915 2.0544 2.0544 2.1970 2.1970 2.8578 2.8578 3.0176 3.0176 3.5951 3.5951 3.7122 3.7122 4.4351 4.4351 4.5080 4.5080 4.7806 4.7806 4.8481 4.8481 7.5778 7.5778 7.6534 7.6534 8.6736 8.6736 8.7200 8.7200 8.9546 8.9546 k = 0.5000 0.3763 0.4813 ( 8360 PWs) bands (ev): -5.8149 -5.8149 -5.8137 -5.8137 -5.4923 -5.4923 -5.4899 -5.4899 -0.1654 -0.1654 -0.1051 -0.1051 0.8139 0.8139 0.8842 0.8842 1.0122 1.0122 1.0985 1.0985 1.3342 1.3342 1.3632 1.3632 1.5319 1.5319 1.5690 1.5690 1.6795 1.6795 1.8130 1.8130 2.0683 2.0683 2.2030 2.2030 2.8540 2.8540 3.0079 3.0079 3.5618 3.5618 3.6826 3.6826 4.4213 4.4213 4.4935 4.4935 4.7539 4.7539 4.8240 4.8240 7.6199 7.6199 7.6948 7.6948 8.6008 8.6008 8.6418 8.6418 8.9259 8.9259 k = 0.5000 0.3763 0.4584 ( 8368 PWs) bands (ev): -5.8228 -5.8228 -5.8216 -5.8216 -5.4852 -5.4852 -5.4828 -5.4828 -0.1659 -0.1659 -0.1067 -0.1067 0.8180 0.8180 0.8875 0.8875 1.0148 1.0148 1.1036 1.1036 1.3316 1.3316 1.3627 1.3627 1.5467 1.5467 1.5884 1.5884 1.6851 1.6851 1.8348 1.8348 2.0838 2.0838 2.2106 2.2106 2.8499 2.8499 2.9962 2.9962 3.5336 3.5336 3.6567 3.6567 4.4069 4.4069 4.4795 4.4795 4.7284 4.7284 4.8012 4.8012 7.6580 7.6580 7.7310 7.7310 8.5302 8.5302 8.5657 8.5657 8.8911 8.8911 k = 0.5000 0.3763 0.4355 ( 8370 PWs) bands (ev): -5.8312 -5.8312 -5.8301 -5.8301 -5.4774 -5.4774 -5.4749 -5.4749 -0.1671 -0.1671 -0.1093 -0.1093 0.8220 0.8220 0.8904 0.8904 1.0174 1.0174 1.1083 1.1083 1.3251 1.3251 1.3627 1.3627 1.5617 1.5617 1.6095 1.6095 1.6913 1.6913 1.8562 1.8562 2.1008 2.1008 2.2203 2.2203 2.8449 2.8449 2.9827 2.9827 3.5113 3.5113 3.6354 3.6354 4.3922 4.3922 4.4660 4.4660 4.7043 4.7043 4.7798 4.7798 7.6905 7.6905 7.7600 7.7600 8.4623 8.4623 8.4941 8.4941 8.8530 8.8530 k = 0.5000 0.3763 0.4126 ( 8352 PWs) bands (ev): -5.8400 -5.8400 -5.8390 -5.8390 -5.4688 -5.4688 -5.4663 -5.4663 -0.1691 -0.1691 -0.1129 -0.1129 0.8258 0.8258 0.8929 0.8929 1.0201 1.0201 1.1123 1.1123 1.3165 1.3165 1.3621 1.3621 1.5769 1.5769 1.6311 1.6311 1.6983 1.6983 1.8764 1.8764 2.1195 2.1195 2.2323 2.2323 2.8388 2.8388 2.9677 2.9677 3.4954 3.4954 3.6193 3.6193 4.3770 4.3770 4.4527 4.4527 4.6816 4.6816 4.7599 4.7599 7.7156 7.7156 7.7798 7.7798 8.3968 8.3968 8.4293 8.4293 8.8145 8.8145 k = 0.5000 0.3763 0.3897 ( 8356 PWs) bands (ev): -5.8492 -5.8492 -5.8482 -5.8482 -5.4598 -5.4598 -5.4573 -5.4573 -0.1718 -0.1718 -0.1174 -0.1174 0.8294 0.8294 0.8949 0.8949 1.0230 1.0230 1.1156 1.1156 1.3066 1.3066 1.3601 1.3601 1.5924 1.5924 1.6517 1.6517 1.7068 1.7068 1.8944 1.8944 2.1398 2.1398 2.2469 2.2469 2.8312 2.8312 2.9516 2.9516 3.4862 3.4862 3.6090 3.6090 4.3616 4.3616 4.4396 4.4396 4.6606 4.6606 4.7414 4.7414 7.7315 7.7315 7.7890 7.7890 8.3337 8.3337 8.3724 8.3724 8.7783 8.7783 k = 0.5000 0.3763 0.3667 ( 8358 PWs) bands (ev): -5.8585 -5.8585 -5.8575 -5.8575 -5.4503 -5.4503 -5.4479 -5.4479 -0.1752 -0.1752 -0.1228 -0.1228 0.8326 0.8326 0.8964 0.8964 1.0262 1.0262 1.1182 1.1182 1.2960 1.2960 1.3567 1.3567 1.6082 1.6082 1.6700 1.6700 1.7177 1.7177 1.9098 1.9098 2.1616 2.1616 2.2643 2.2643 2.8216 2.8216 2.9350 2.9350 3.4837 3.4837 3.6048 3.6048 4.3459 4.3459 4.4263 4.4263 4.6414 4.6414 4.7243 4.7243 7.7368 7.7368 7.7872 7.7872 8.2736 8.2736 8.3223 8.3223 8.7465 8.7465 k = 0.5000 0.3763 0.3438 ( 8342 PWs) bands (ev): -5.8679 -5.8679 -5.8670 -5.8670 -5.4406 -5.4406 -5.4382 -5.4382 -0.1792 -0.1792 -0.1290 -0.1290 0.8356 0.8356 0.8974 0.8974 1.0297 1.0297 1.1201 1.1201 1.2851 1.2851 1.3519 1.3519 1.6240 1.6240 1.6847 1.6847 1.7317 1.7317 1.9220 1.9220 2.1847 2.1847 2.2842 2.2842 2.8102 2.8102 2.9185 2.9185 3.4879 3.4879 3.6067 3.6067 4.3299 4.3299 4.4127 4.4127 4.6243 4.6243 4.7088 4.7088 7.7310 7.7310 7.7751 7.7751 8.2173 8.2173 8.2764 8.2764 8.7210 8.7210 k = 0.5000 0.3763 0.3209 ( 8338 PWs) bands (ev): -5.8773 -5.8773 -5.8763 -5.8763 -5.4308 -5.4308 -5.4284 -5.4284 -0.1836 -0.1836 -0.1359 -0.1359 0.8382 0.8382 0.8977 0.8977 1.0335 1.0335 1.1212 1.1212 1.2742 1.2742 1.3460 1.3460 1.6398 1.6398 1.6960 1.6960 1.7483 1.7483 1.9310 1.9310 2.2087 2.2087 2.3065 2.3065 2.7967 2.7967 2.9023 2.9023 3.4987 3.4987 3.6145 3.6145 4.3137 4.3137 4.3985 4.3985 4.6095 4.6095 4.6948 4.6948 7.7148 7.7148 7.7547 7.7547 8.1642 8.1642 8.2316 8.2316 8.7023 8.7023 k = 0.5000 0.3763 0.2980 ( 8346 PWs) bands (ev): -5.8864 -5.8864 -5.8855 -5.8855 -5.4209 -5.4209 -5.4186 -5.4186 -0.1885 -0.1885 -0.1434 -0.1434 0.8406 0.8406 0.8975 0.8975 1.0376 1.0376 1.1215 1.1215 1.2636 1.2636 1.3391 1.3391 1.6553 1.6553 1.7050 1.7050 1.7663 1.7663 1.9370 1.9370 2.2329 2.2329 2.3308 2.3308 2.7816 2.7816 2.8868 2.8868 3.5156 3.5156 3.6282 3.6282 4.2973 4.2973 4.3834 4.3834 4.5970 4.5970 4.6822 4.6822 7.6906 7.6906 7.7283 7.7283 8.1134 8.1134 8.1860 8.1860 8.6900 8.6900 k = 0.5000 0.3763 0.2751 ( 8330 PWs) bands (ev): -5.8953 -5.8953 -5.8944 -5.8944 -5.4112 -5.4112 -5.4089 -5.4089 -0.1936 -0.1936 -0.1513 -0.1513 0.8427 0.8427 0.8967 0.8967 1.0419 1.0419 1.1211 1.1211 1.2536 1.2536 1.3316 1.3316 1.6704 1.6704 1.7127 1.7127 1.7842 1.7842 1.9404 1.9404 2.2568 2.2568 2.3567 2.3567 2.7652 2.7652 2.8720 2.8720 3.5383 3.5383 3.6471 3.6471 4.2805 4.2805 4.3673 4.3673 4.5869 4.5869 4.6709 4.6709 7.6613 7.6613 7.6979 7.6979 8.0637 8.0637 8.1384 8.1384 8.6825 8.6825 k = 0.5000 0.3763 0.2521 ( 8336 PWs) bands (ev): -5.9038 -5.9038 -5.9030 -5.9030 -5.4017 -5.4017 -5.3995 -5.3995 -0.1988 -0.1988 -0.1595 -0.1595 0.8446 0.8446 0.8954 0.8954 1.0463 1.0463 1.1199 1.1199 1.2444 1.2444 1.3235 1.3235 1.6849 1.6849 1.7197 1.7197 1.8014 1.8014 1.9416 1.9416 2.2799 2.2799 2.3836 2.3836 2.7479 2.7479 2.8578 2.8578 3.5661 3.5661 3.6708 3.6708 4.2634 4.2634 4.3502 4.3502 4.5791 4.5791 4.6610 4.6610 7.6299 7.6299 7.6659 7.6659 8.0141 8.0141 8.0886 8.0886 8.6777 8.6777 k = 0.5000 0.3763 0.2292 ( 8344 PWs) bands (ev): -5.9119 -5.9119 -5.9111 -5.9111 -5.3926 -5.3926 -5.3905 -5.3905 -0.2041 -0.2041 -0.1679 -0.1679 0.8463 0.8463 0.8937 0.8937 1.0507 1.0507 1.1181 1.1181 1.2364 1.2364 1.3151 1.3151 1.6986 1.6986 1.7263 1.7263 1.8174 1.8174 1.9412 1.9412 2.3020 2.3020 2.4111 2.4111 2.7301 2.7301 2.8442 2.8442 3.5983 3.5983 3.6988 3.6988 4.2459 4.2459 4.3319 4.3319 4.5736 4.5736 4.6523 4.6523 7.5988 7.5988 7.6342 7.6342 7.9645 7.9645 8.0370 8.0370 8.6735 8.6735 k = 0.5000 0.3763 0.2063 ( 8344 PWs) bands (ev): -5.9194 -5.9194 -5.9186 -5.9186 -5.3839 -5.3839 -5.3820 -5.3820 -0.2092 -0.2092 -0.1763 -0.1763 0.8480 0.8480 0.8916 0.8916 1.0549 1.0549 1.1156 1.1156 1.2298 1.2298 1.3065 1.3065 1.7114 1.7114 1.7327 1.7327 1.8321 1.8321 1.9396 1.9396 2.3230 2.3230 2.4386 2.4386 2.7122 2.7122 2.8309 2.8309 3.6341 3.6341 3.7302 3.7302 4.2278 4.2278 4.3126 4.3126 4.5701 4.5701 4.6447 4.6447 7.5696 7.5696 7.6044 7.6044 7.9146 7.9146 7.9845 7.9845 8.6678 8.6678 k = 0.5000 0.3763 0.1834 ( 8330 PWs) bands (ev): -5.9263 -5.9263 -5.9256 -5.9256 -5.3758 -5.3758 -5.3741 -5.3741 -0.2140 -0.2140 -0.1845 -0.1845 0.8497 0.8497 0.8892 0.8892 1.0589 1.0589 1.1126 1.1126 1.2247 1.2247 1.2979 1.2979 1.7230 1.7230 1.7389 1.7389 1.8452 1.8452 1.9370 1.9370 2.3430 2.3430 2.4652 2.4652 2.6945 2.6945 2.8177 2.8177 3.6727 3.6727 3.7645 3.7645 4.2091 4.2091 4.2921 4.2921 4.5685 4.5685 4.6379 4.6379 7.5437 7.5437 7.5782 7.5782 7.8648 7.8648 7.9316 7.9316 8.6588 8.6588 k = 0.5000 0.3763 0.1604 ( 8338 PWs) bands (ev): -5.9325 -5.9325 -5.9319 -5.9319 -5.3685 -5.3685 -5.3669 -5.3669 -0.2185 -0.2185 -0.1924 -0.1924 0.8514 0.8514 0.8866 0.8866 1.0626 1.0626 1.1091 1.1091 1.2212 1.2212 1.2893 1.2893 1.7332 1.7332 1.7451 1.7451 1.8566 1.8566 1.9339 1.9339 2.3623 2.3623 2.4902 2.4902 2.6778 2.6778 2.8046 2.8046 3.7131 3.7131 3.8008 3.8008 4.1895 4.1895 4.2706 4.2706 4.5684 4.5684 4.6318 4.6318 7.5222 7.5222 7.5565 7.5565 7.8155 7.8155 7.8791 7.8791 8.6457 8.6457 k = 0.5000 0.3763 0.1375 ( 8332 PWs) bands (ev): -5.9380 -5.9380 -5.9375 -5.9375 -5.3619 -5.3619 -5.3605 -5.3605 -0.2224 -0.2224 -0.1998 -0.1998 0.8531 0.8531 0.8838 0.8838 1.0659 1.0659 1.1052 1.1052 1.2194 1.2194 1.2809 1.2809 1.7419 1.7419 1.7513 1.7513 1.8666 1.8666 1.9304 1.9304 2.3813 2.3813 2.5121 2.5121 2.6630 2.6630 2.7912 2.7912 3.7546 3.7546 3.8383 3.8383 4.1691 4.1691 4.2479 4.2479 4.5698 4.5698 4.6263 4.6263 7.5058 7.5058 7.5403 7.5403 7.7672 7.7672 7.8277 7.8277 8.6280 8.6280 k = 0.5000 0.3763 0.1146 ( 8342 PWs) bands (ev): -5.9427 -5.9427 -5.9423 -5.9423 -5.3561 -5.3561 -5.3550 -5.3550 -0.2256 -0.2256 -0.2067 -0.2067 0.8549 0.8549 0.8808 0.8808 1.0690 1.0690 1.1012 1.1012 1.2192 1.2192 1.2727 1.2727 1.7489 1.7489 1.7571 1.7571 1.8752 1.8752 1.9267 1.9267 2.4000 2.4000 2.5287 2.5287 2.6524 2.6524 2.7775 2.7775 3.7961 3.7961 3.8759 3.8759 4.1478 4.1478 4.2241 4.2241 4.5723 4.5723 4.6211 4.6211 7.4951 7.4951 7.5301 7.5301 7.7206 7.7206 7.7779 7.7779 8.6070 8.6070 k = 0.5000 0.3763 0.0917 ( 8342 PWs) bands (ev): -5.9466 -5.9466 -5.9462 -5.9462 -5.3513 -5.3513 -5.3504 -5.3504 -0.2280 -0.2280 -0.2128 -0.2128 0.8569 0.8569 0.8779 0.8779 1.0718 1.0718 1.0971 1.0971 1.2205 1.2205 1.2647 1.2647 1.7548 1.7548 1.7621 1.7621 1.8826 1.8826 1.9228 1.9228 2.4187 2.4187 2.5370 2.5370 2.6489 2.6489 2.7631 2.7631 3.8369 3.8369 3.9127 3.9127 4.1259 4.1259 4.1992 4.1992 4.5757 4.5757 4.6160 4.6160 7.4905 7.4905 7.5266 7.5266 7.6763 7.6763 7.7307 7.7307 8.5850 8.5850 k = 0.5000 0.3763 0.0688 ( 8350 PWs) bands (ev): -5.9497 -5.9497 -5.9494 -5.9494 -5.3475 -5.3475 -5.3468 -5.3468 -0.2296 -0.2296 -0.2182 -0.2182 0.8590 0.8590 0.8749 0.8749 1.0744 1.0744 1.0932 1.0932 1.2231 1.2231 1.2571 1.2571 1.7596 1.7596 1.7659 1.7659 1.8892 1.8892 1.9188 1.9188 2.4375 2.4375 2.5350 2.5350 2.6542 2.6542 2.7480 2.7480 3.8763 3.8763 3.9467 3.9467 4.1044 4.1044 4.1732 4.1732 4.5800 4.5800 4.6110 4.6110 7.4925 7.4925 7.5299 7.5299 7.6352 7.6352 7.6866 7.6866 8.5649 8.5649 k = 0.5000 0.3763 0.0458 ( 8346 PWs) bands (ev): -5.9518 -5.9518 -5.9517 -5.9517 -5.3447 -5.3447 -5.3442 -5.3442 -0.2302 -0.2302 -0.2226 -0.2226 0.8613 0.8613 0.8720 0.8720 1.0771 1.0771 1.0895 1.0895 1.2268 1.2268 1.2499 1.2499 1.7635 1.7635 1.7682 1.7682 1.8951 1.8951 1.9146 1.9146 2.4564 2.4564 2.5250 2.5250 2.6664 2.6664 2.7322 2.7322 3.9132 3.9132 3.9740 3.9740 4.0865 4.0865 4.1463 4.1463 4.5847 4.5847 4.6058 4.6058 7.5010 7.5010 7.5400 7.5400 7.5980 7.5980 7.6465 7.6465 8.5494 8.5494 k = 0.5000 0.3763 0.0229 ( 8366 PWs) bands (ev): -5.9531 -5.9531 -5.9531 -5.9531 -5.3429 -5.3429 -5.3427 -5.3427 -0.2298 -0.2298 -0.2260 -0.2260 0.8638 0.8638 0.8691 0.8691 1.0798 1.0798 1.0860 1.0860 1.2315 1.2315 1.2432 1.2432 1.7665 1.7665 1.7690 1.7690 1.9004 1.9004 1.9101 1.9101 2.4750 2.4750 2.5103 2.5103 2.6820 2.6820 2.7157 2.7157 3.9463 3.9463 3.9850 3.9850 4.0812 4.0812 4.1194 4.1194 4.5899 4.5899 4.6005 4.6005 7.5160 7.5160 7.5552 7.5552 7.5673 7.5673 7.6112 7.6112 8.5406 8.5406 k = 0.5000 0.3763 0.0000 ( 8376 PWs) bands (ev): -5.9535 -5.9535 -5.9535 -5.9535 -5.3422 -5.3422 -5.3422 -5.3422 -0.2284 -0.2284 -0.2284 -0.2284 0.8663 0.8663 0.8663 0.8663 1.0827 1.0827 1.0827 1.0827 1.2370 1.2370 1.2370 1.2370 1.7683 1.7683 1.7683 1.7683 1.9054 1.9054 1.9054 1.9054 2.4933 2.4933 2.4933 2.4933 2.6988 2.6988 2.6988 2.6988 3.9728 3.9728 3.9728 3.9728 4.0952 4.0952 4.0952 4.0952 4.5952 4.5952 4.5952 4.5952 7.5372 7.5372 7.5372 7.5372 7.5817 7.5817 7.5817 7.5817 8.5396 8.5396 k = 0.0000 0.0000 0.8315 ( 8334 PWs) bands (ev): -5.7785 -5.7785 -5.7763 -5.7763 -5.5124 -5.5124 -5.5122 -5.5122 -0.1993 -0.1993 -0.1386 -0.1386 0.7984 0.7984 0.8116 0.8116 0.9672 0.9672 1.0302 1.0302 1.2389 1.2389 1.3068 1.3068 1.4737 1.4737 1.4778 1.4778 1.6322 1.6322 1.6352 1.6352 1.9847 1.9847 2.1704 2.1704 2.9020 2.9020 3.0468 3.0468 4.0466 4.0466 4.0674 4.0674 4.5528 4.5528 4.6695 4.6695 5.1032 5.1032 5.1623 5.1623 7.1422 7.1422 7.1978 7.1978 8.4385 8.4385 8.4689 8.4689 9.4510 9.4510 k = 0.0179 0.0134 0.8315 ( 8330 PWs) bands (ev): -5.7787 -5.7783 -5.7764 -5.7762 -5.5125 -5.5124 -5.5123 -5.5120 -0.2020 -0.1961 -0.1391 -0.1375 0.7968 0.8000 0.8078 0.8155 0.9639 0.9702 1.0225 1.0380 1.2374 1.2407 1.3009 1.3121 1.4680 1.4710 1.4720 1.4852 1.6300 1.6301 1.6382 1.6419 1.9807 1.9864 2.1628 2.1729 2.9032 2.9105 3.0422 3.0577 4.0423 4.0508 4.0637 4.0700 4.5493 4.5561 4.6649 4.6736 5.0953 5.1036 5.1562 5.1609 7.1407 7.1537 7.1992 7.2066 8.4368 8.4373 8.4675 8.4675 9.4487 9.4510 k = 0.0357 0.0269 0.8315 ( 8332 PWs) bands (ev): -5.7788 -5.7781 -5.7764 -5.7761 -5.5127 -5.5126 -5.5122 -5.5119 -0.2040 -0.1923 -0.1391 -0.1360 0.7952 0.8017 0.8042 0.8196 0.9605 0.9729 1.0148 1.0457 1.2361 1.2426 1.2945 1.3167 1.4561 1.4638 1.4670 1.4896 1.6271 1.6318 1.6471 1.6496 1.9747 1.9855 2.1510 2.1700 2.9142 2.9279 3.0437 3.0747 4.0377 4.0549 4.0591 4.0717 4.5455 4.5590 4.6597 4.6775 5.0806 5.0963 5.1429 5.1524 7.1493 7.1749 7.2106 7.2254 8.4321 8.4331 8.4632 8.4632 9.4442 9.4490 k = 0.0536 0.0403 0.8315 ( 8322 PWs) bands (ev): -5.7789 -5.7778 -5.7765 -5.7759 -5.5129 -5.5128 -5.5121 -5.5117 -0.2054 -0.1879 -0.1386 -0.1339 0.7936 0.8008 0.8035 0.8238 0.9569 0.9752 1.0072 1.0536 1.2353 1.2447 1.2877 1.3204 1.4425 1.4527 1.4599 1.4911 1.6264 1.6372 1.6577 1.6579 1.9671 1.9822 2.1360 2.1621 2.9344 2.9529 3.0511 3.0971 4.0327 4.0536 4.0591 4.0722 4.5413 4.5619 4.6538 4.6812 5.0601 5.0816 5.1232 5.1371 7.1675 7.2049 7.2316 7.2535 8.4243 8.4258 8.4559 8.4559 9.4377 9.4451 k = 0.0714 0.0538 0.8315 ( 8330 PWs) bands (ev): -5.7790 -5.7776 -5.7765 -5.7758 -5.5131 -5.5131 -5.5121 -5.5117 -0.2063 -0.1830 -0.1377 -0.1315 0.7920 0.7976 0.8053 0.8281 0.9533 0.9771 0.9995 1.0614 1.2348 1.2468 1.2805 1.3231 1.4277 1.4386 1.4518 1.4898 1.6282 1.6452 1.6665 1.6689 1.9586 1.9766 2.1191 2.1499 2.9629 2.9841 3.0635 3.1241 4.0272 4.0471 4.0634 4.0716 4.5367 4.5645 4.6470 4.6848 5.0353 5.0603 5.0979 5.1163 7.1945 7.2428 7.2612 7.2900 8.4133 8.4153 8.4452 8.4455 9.4296 9.4400 k = 0.0893 0.0672 0.8315 ( 8344 PWs) bands (ev): -5.7791 -5.7773 -5.7765 -5.7757 -5.5133 -5.5133 -5.5121 -5.5116 -0.2067 -0.1778 -0.1366 -0.1287 0.7905 0.7946 0.8071 0.8325 0.9497 0.9785 0.9920 1.0694 1.2349 1.2491 1.2730 1.3244 1.4119 1.4228 1.4438 1.4862 1.6320 1.6549 1.6749 1.6800 1.9499 1.9691 2.1014 2.1342 2.9980 3.0198 3.0801 3.1548 4.0213 4.0396 4.0680 4.0697 4.5318 4.5671 4.6389 4.6883 5.0077 5.0334 5.0685 5.0910 7.2291 7.2873 7.2982 7.3336 8.3989 8.4013 8.4309 8.4315 9.4204 9.4341 k = 0.1071 0.0806 0.8315 ( 8346 PWs) bands (ev): -5.7791 -5.7770 -5.7765 -5.7755 -5.5136 -5.5136 -5.5121 -5.5116 -0.2067 -0.1723 -0.1353 -0.1256 0.7889 0.7918 0.8090 0.8368 0.9464 0.9796 0.9845 1.0775 1.2356 1.2516 1.2650 1.3243 1.3955 1.4062 1.4366 1.4811 1.6374 1.6657 1.6830 1.6902 1.9418 1.9603 2.0839 2.1163 3.0381 3.0584 3.0998 3.1879 4.0148 4.0313 4.0664 4.0730 4.5266 4.5697 4.6293 4.6919 4.9793 5.0022 5.0362 5.0628 7.2699 7.3368 7.3413 7.3831 8.3810 8.3839 8.4127 8.4139 9.4109 9.4282 k = 0.1250 0.0941 0.8315 ( 8346 PWs) bands (ev): -5.7791 -5.7767 -5.7765 -5.7754 -5.5139 -5.5138 -5.5122 -5.5116 -0.2063 -0.1666 -0.1339 -0.1225 0.7874 0.7892 0.8109 0.8411 0.9434 0.9773 0.9802 1.0857 1.2372 1.2543 1.2566 1.3225 1.3788 1.3898 1.4309 1.4749 1.6439 1.6769 1.6906 1.6989 1.9352 1.9505 2.0672 2.0968 3.0817 3.0985 3.1213 3.2220 4.0079 4.0221 4.0614 4.0782 4.5213 4.5722 4.6179 4.6956 4.9520 4.9680 5.0026 5.0332 7.3152 7.3889 7.3898 7.4368 8.3596 8.3630 8.3905 8.3925 9.4017 9.4231 k = 0.1429 0.1075 0.8315 ( 8348 PWs) bands (ev): -5.7791 -5.7765 -5.7764 -5.7753 -5.5141 -5.5141 -5.5122 -5.5116 -0.2058 -0.1610 -0.1327 -0.1194 0.7859 0.7870 0.8128 0.8452 0.9408 0.9704 0.9805 1.0941 1.2396 1.2477 1.2572 1.3191 1.3623 1.3743 1.4269 1.4683 1.6513 1.6882 1.6975 1.7057 1.9307 1.9402 2.0520 2.0767 3.1269 3.1385 3.1434 3.2555 4.0010 4.0122 4.0548 4.0838 4.5163 4.5747 4.6046 4.6998 4.9274 4.9325 4.9693 5.0034 7.3632 7.4393 7.4446 7.4931 8.3352 8.3390 8.3643 8.3674 9.3936 9.4194 k = 0.1607 0.1210 0.8315 ( 8344 PWs) bands (ev): -5.7791 -5.7765 -5.7762 -5.7752 -5.5143 -5.5143 -5.5123 -5.5116 -0.2051 -0.1555 -0.1317 -0.1165 0.7844 0.7850 0.8146 0.8490 0.9388 0.9639 0.9805 1.1025 1.2385 1.2430 1.2605 1.3143 1.3461 1.3603 1.4247 1.4616 1.6591 1.6989 1.7036 1.7102 1.9290 1.9300 2.0386 2.0564 3.1648 3.1722 3.1766 3.2865 3.9944 4.0020 4.0464 4.0894 4.5118 4.5773 4.5897 4.7044 4.8971 4.9069 4.9377 4.9750 7.4117 7.4905 7.4990 7.5502 8.3086 8.3127 8.3349 8.3393 9.3870 9.4135 k = 0.1786 0.1344 0.8315 ( 8348 PWs) bands (ev): -5.7791 -5.7764 -5.7759 -5.7751 -5.5145 -5.5145 -5.5123 -5.5116 -0.2044 -0.1503 -0.1311 -0.1138 0.7831 0.7833 0.8161 0.8523 0.9375 0.9579 0.9803 1.1109 1.2290 1.2475 1.2641 1.3085 1.3306 1.3484 1.4242 1.4551 1.6671 1.7088 1.7088 1.7120 1.9205 1.9305 2.0274 2.0364 3.1843 3.2114 3.2159 3.3130 3.9889 3.9920 4.0364 4.0949 4.5086 4.5738 4.5797 4.7100 4.8632 4.8913 4.9094 4.9489 7.4583 7.5403 7.5507 7.6056 8.2813 8.2856 8.3033 8.3093 9.3823 9.4043 k = 0.1964 0.1478 0.8315 ( 8364 PWs) bands (ev): -5.7791 -5.7764 -5.7757 -5.7751 -5.5147 -5.5146 -5.5124 -5.5116 -0.2038 -0.1455 -0.1310 -0.1116 0.7820 0.7820 0.8175 0.8551 0.9370 0.9525 0.9799 1.1190 1.2197 1.2532 1.2681 1.3022 1.3160 1.3390 1.4251 1.4489 1.6752 1.7114 1.7129 1.7174 1.9120 1.9353 2.0172 2.0185 3.2008 3.2410 3.2561 3.3329 3.9828 3.9853 4.0252 4.0999 4.5072 4.5577 4.5820 4.7167 4.8322 4.8811 4.8856 4.9260 7.5002 7.5860 7.5965 7.6565 8.2554 8.2596 8.2717 8.2793 9.3797 9.3967 k = 0.2143 0.1613 0.8315 ( 8370 PWs) bands (ev): -5.7791 -5.7764 -5.7755 -5.7751 -5.5148 -5.5147 -5.5124 -5.5116 -0.2033 -0.1413 -0.1316 -0.1100 0.7810 0.7811 0.8185 0.8571 0.9373 0.9477 0.9796 1.1261 1.2114 1.2601 1.2726 1.2957 1.3025 1.3322 1.4271 1.4433 1.6832 1.7085 1.7159 1.7241 1.9054 1.9432 1.9990 2.0120 3.2133 3.2637 3.2910 3.3445 3.9753 3.9846 4.0136 4.1039 4.5082 4.5427 4.5838 4.7248 4.8055 4.8675 4.8763 4.9070 7.5339 7.6241 7.6330 7.6988 8.2343 8.2376 8.2435 8.2521 9.3790 9.3906 k = 0.2321 0.1747 0.8315 ( 8370 PWs) bands (ev): -5.7791 -5.7764 -5.7754 -5.7752 -5.5148 -5.5148 -5.5124 -5.5116 -0.2030 -0.1377 -0.1329 -0.1090 0.7805 0.7806 0.8192 0.8584 0.9386 0.9438 0.9793 1.1314 1.2053 1.2680 1.2777 1.2893 1.2905 1.3282 1.4300 1.4382 1.6908 1.7039 1.7177 1.7284 1.9011 1.9539 1.9822 2.0081 3.2211 3.2781 3.3186 3.3462 3.9703 3.9873 4.0027 4.1065 4.5121 4.5296 4.5850 4.7337 4.7848 4.8563 4.8767 4.8923 7.5560 7.6507 7.6558 7.7276 8.2217 8.2226 8.2233 8.2312 9.3800 9.3859 k = 0.2500 0.1882 0.8315 ( 8368 PWs) bands (ev): -5.7791 -5.7764 -5.7752 -5.7752 -5.5148 -5.5148 -5.5124 -5.5116 -0.2028 -0.1349 -0.1349 -0.1086 0.7803 0.7803 0.8194 0.8589 0.9407 0.9407 0.9792 1.1333 1.2031 1.2743 1.2829 1.2833 1.2833 1.3268 1.4337 1.4337 1.6978 1.6978 1.7183 1.7298 1.8996 1.9670 1.9670 2.0068 3.2237 3.2830 3.3374 3.3374 3.9686 3.9935 3.9935 4.1074 4.5193 4.5193 4.5855 4.7388 4.7756 4.8524 4.8821 4.8821 7.5638 7.6620 7.6620 7.7379 8.2159 8.2172 8.2204 8.2204 9.3823 9.3823 Writing output data file AlAgTe2.save init_run : 4.26s CPU 13.22s WALL ( 1 calls) electrons : 1038.92s CPU 1047.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 1038.89s CPU 1046.94s WALL ( 1 calls) v_of_rho : 0.26s CPU 1.01s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.25s CPU 0.60s WALL ( 1 calls) newd : 0.60s CPU 0.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.16s WALL ( 251 calls) cegterg : 944.32s CPU 949.37s WALL ( 504 calls) Called by sum_band: Called by *egterg: h_psi : 583.59s CPU 590.24s WALL ( 7703 calls) s_psi : 40.34s CPU 40.58s WALL ( 7703 calls) g_psi : 1.08s CPU 1.10s WALL ( 6948 calls) cdiaghg : 236.59s CPU 235.08s WALL ( 7199 calls) cegterg:over : 67.91s CPU 66.42s WALL ( 6948 calls) cegterg:upda : 23.18s CPU 25.33s WALL ( 6948 calls) cegterg:last : 17.47s CPU 17.97s WALL ( 1286 calls) Called by h_psi: h_psi:vloc : 493.50s CPU 498.30s WALL ( 7703 calls) h_psi:vnl : 89.49s CPU 90.86s WALL ( 7703 calls) add_vuspsi : 35.07s CPU 37.27s WALL ( 7703 calls) General routines calbec : 54.38s CPU 53.49s WALL ( 7703 calls) fft : 0.56s CPU 1.24s WALL ( 15 calls) fftw : 470.65s CPU 472.18s WALL ( 1013112 calls) davcio : 0.03s CPU 2.24s WALL ( 502 calls) Parallel routines fft_scatter : 272.61s CPU 271.10s WALL ( 1013127 calls) PWSCF : 18m40.28s CPU 21m10.99s WALL This run was terminated on: 8:19:30 8Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=