Program PWSCF v.5.1.1 starts on 19Jun2016 at 6:32:32 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: ./ZnGeP2.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 67 44 12 1744 911 138 Max 68 45 13 1747 926 141 Sum 3255 2121 611 83781 44051 6699 bravais-lattice index = 14 lattice parameter (alat) = 12.5137 a.u. unit-cell volume = 1082.3409 (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 = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.513668 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.660075 celldm(5)= -0.660075 celldm(6)= 0.320149 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.320149 0.947367 0.000000 ) a(3) = ( -0.660075 -0.473684 0.583031 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.337936 0.857587 ) b(2) = ( 0.000000 1.055557 0.857587 ) b(3) = ( 0.000000 0.000000 1.715174 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Ge 4.00 72.64000 Ge( 1.00) Zn 12.00 65.40900 Zn( 1.00) P 5.00 30.97380 P( 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 =( -0.1600745 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4736836 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2915156 ) 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= 284 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0000000 0.0000000 0.0209168), wk = 0.0035211 k( 3) = ( 0.0000000 0.0000000 0.0418335), wk = 0.0035211 k( 4) = ( 0.0000000 0.0000000 0.0627503), wk = 0.0035211 k( 5) = ( 0.0000000 0.0000000 0.0836670), wk = 0.0035211 k( 6) = ( 0.0000000 0.0000000 0.1045838), wk = 0.0035211 k( 7) = ( 0.0000000 0.0000000 0.1255005), wk = 0.0035211 k( 8) = ( 0.0000000 0.0000000 0.1464173), wk = 0.0035211 k( 9) = ( 0.0000000 0.0000000 0.1673340), wk = 0.0035211 k( 10) = ( 0.0000000 0.0000000 0.1882508), wk = 0.0035211 k( 11) = ( 0.0000000 0.0000000 0.2091675), wk = 0.0035211 k( 12) = ( 0.0000000 0.0000000 0.2300843), wk = 0.0035211 k( 13) = ( 0.0000000 0.0000000 0.2510010), wk = 0.0035211 k( 14) = ( 0.0000000 0.0000000 0.2719178), wk = 0.0035211 k( 15) = ( 0.0000000 0.0000000 0.2928346), wk = 0.0035211 k( 16) = ( 0.0000000 0.0000000 0.3137513), wk = 0.0035211 k( 17) = ( 0.0000000 0.0000000 0.3346681), wk = 0.0035211 k( 18) = ( 0.0000000 0.0000000 0.3555848), wk = 0.0035211 k( 19) = ( 0.0000000 0.0000000 0.3765016), wk = 0.0035211 k( 20) = ( 0.0000000 0.0000000 0.3974183), wk = 0.0035211 k( 21) = ( 0.0000000 0.0000000 0.4183351), wk = 0.0035211 k( 22) = ( 0.0000000 0.0000000 0.4392518), wk = 0.0035211 k( 23) = ( 0.0000000 0.0000000 0.4601686), wk = 0.0035211 k( 24) = ( 0.0000000 0.0000000 0.4810853), wk = 0.0035211 k( 25) = ( 0.0000000 0.0000000 0.5020021), wk = 0.0035211 k( 26) = ( 0.0000000 0.0000000 0.5229189), wk = 0.0035211 k( 27) = ( 0.0000000 0.0000000 0.5438356), wk = 0.0035211 k( 28) = ( 0.0000000 0.0000000 0.5647524), wk = 0.0035211 k( 29) = ( 0.0000000 0.0000000 0.5856691), wk = 0.0035211 k( 30) = ( 0.0000000 0.0000000 0.6065859), wk = 0.0035211 k( 31) = ( 0.0000000 0.0000000 0.6275026), wk = 0.0035211 k( 32) = ( 0.0000000 0.0000000 0.6484194), wk = 0.0035211 k( 33) = ( 0.0000000 0.0000000 0.6693361), wk = 0.0035211 k( 34) = ( 0.0000000 0.0000000 0.6902529), wk = 0.0035211 k( 35) = ( 0.0000000 0.0000000 0.7111696), wk = 0.0035211 k( 36) = ( 0.0000000 0.0000000 0.7320864), wk = 0.0035211 k( 37) = ( 0.0000000 0.0000000 0.7530031), wk = 0.0035211 k( 38) = ( 0.0000000 0.0000000 0.7739199), wk = 0.0035211 k( 39) = ( 0.0000000 0.0000000 0.7948367), wk = 0.0035211 k( 40) = ( 0.0000000 0.0000000 0.8157534), wk = 0.0035211 k( 41) = ( 0.0000000 0.0000000 0.8366702), wk = 0.0035211 k( 42) = ( 0.0000000 0.0000000 0.8575869), wk = 0.0035211 k( 43) = ( 0.0000000 0.0000000 0.8575869), wk = 0.0035211 k( 44) = ( -0.0117041 0.0163096 0.8575869), wk = 0.0035211 k( 45) = ( -0.0234082 0.0326192 0.8575869), wk = 0.0035211 k( 46) = ( -0.0351123 0.0489287 0.8575869), wk = 0.0035211 k( 47) = ( -0.0468164 0.0652383 0.8575869), wk = 0.0035211 k( 48) = ( -0.0585205 0.0815479 0.8575869), wk = 0.0035211 k( 49) = ( -0.0702246 0.0978575 0.8575869), wk = 0.0035211 k( 50) = ( -0.0819287 0.1141670 0.8575869), wk = 0.0035211 k( 51) = ( -0.0936328 0.1304766 0.8575869), wk = 0.0035211 k( 52) = ( -0.1053369 0.1467862 0.8575869), wk = 0.0035211 k( 53) = ( -0.1170410 0.1630958 0.8575869), wk = 0.0035211 k( 54) = ( -0.1287451 0.1794053 0.8575869), wk = 0.0035211 k( 55) = ( -0.1287451 0.1794053 0.8575869), wk = 0.0035211 k( 56) = ( -0.1371827 0.1911631 0.8431150), wk = 0.0035211 k( 57) = ( -0.1456203 0.2029208 0.8286430), wk = 0.0035211 k( 58) = ( -0.1540579 0.2146786 0.8141710), wk = 0.0035211 k( 59) = ( -0.1624956 0.2264363 0.7996990), wk = 0.0035211 k( 60) = ( -0.1709332 0.2381941 0.7852271), wk = 0.0035211 k( 61) = ( -0.1793708 0.2499518 0.7707551), wk = 0.0035211 k( 62) = ( -0.1878084 0.2617096 0.7562831), wk = 0.0035211 k( 63) = ( -0.1962460 0.2734673 0.7418112), wk = 0.0035211 k( 64) = ( -0.2046836 0.2852251 0.7273392), wk = 0.0035211 k( 65) = ( -0.2131212 0.2969828 0.7128672), wk = 0.0035211 k( 66) = ( -0.2215588 0.3087406 0.6983953), wk = 0.0035211 k( 67) = ( -0.2299964 0.3204983 0.6839233), wk = 0.0035211 k( 68) = ( -0.2384341 0.3322561 0.6694513), wk = 0.0035211 k( 69) = ( -0.2468717 0.3440138 0.6549793), wk = 0.0035211 k( 70) = ( -0.2553093 0.3557716 0.6405074), wk = 0.0035211 k( 71) = ( -0.2637469 0.3675293 0.6260354), wk = 0.0035211 k( 72) = ( -0.2721845 0.3792871 0.6115634), wk = 0.0035211 k( 73) = ( -0.2806221 0.3910448 0.5970915), wk = 0.0035211 k( 74) = ( -0.2890597 0.4028025 0.5826195), wk = 0.0035211 k( 75) = ( -0.2974973 0.4145603 0.5681475), wk = 0.0035211 k( 76) = ( -0.3059349 0.4263180 0.5536756), wk = 0.0035211 k( 77) = ( -0.3143726 0.4380758 0.5392036), wk = 0.0035211 k( 78) = ( -0.3143726 0.4380758 0.5392036), wk = 0.0035211 k( 79) = ( -0.3058760 0.4262359 0.5246305), wk = 0.0035211 k( 80) = ( -0.2973794 0.4143960 0.5100574), wk = 0.0035211 k( 81) = ( -0.2888829 0.4025561 0.4954844), wk = 0.0035211 k( 82) = ( -0.2803863 0.3907162 0.4809113), wk = 0.0035211 k( 83) = ( -0.2718898 0.3788764 0.4663382), wk = 0.0035211 k( 84) = ( -0.2633932 0.3670365 0.4517652), wk = 0.0035211 k( 85) = ( -0.2548967 0.3551966 0.4371921), wk = 0.0035211 k( 86) = ( -0.2464001 0.3433567 0.4226190), wk = 0.0035211 k( 87) = ( -0.2379036 0.3315168 0.4080460), wk = 0.0035211 k( 88) = ( -0.2294070 0.3196769 0.3934729), wk = 0.0035211 k( 89) = ( -0.2209104 0.3078370 0.3788998), wk = 0.0035211 k( 90) = ( -0.2124139 0.2959972 0.3643267), wk = 0.0035211 k( 91) = ( -0.2039173 0.2841573 0.3497537), wk = 0.0035211 k( 92) = ( -0.1954208 0.2723174 0.3351806), wk = 0.0035211 k( 93) = ( -0.1869242 0.2604775 0.3206075), wk = 0.0035211 k( 94) = ( -0.1784277 0.2486376 0.3060345), wk = 0.0035211 k( 95) = ( -0.1699311 0.2367977 0.2914614), wk = 0.0035211 k( 96) = ( -0.1614346 0.2249578 0.2768883), wk = 0.0035211 k( 97) = ( -0.1529380 0.2131180 0.2623153), wk = 0.0035211 k( 98) = ( -0.1444414 0.2012781 0.2477422), wk = 0.0035211 k( 99) = ( -0.1359449 0.1894382 0.2331691), wk = 0.0035211 k( 100) = ( -0.1274483 0.1775983 0.2185960), wk = 0.0035211 k( 101) = ( -0.1189518 0.1657584 0.2040230), wk = 0.0035211 k( 102) = ( -0.1104552 0.1539185 0.1894499), wk = 0.0035211 k( 103) = ( -0.1019587 0.1420786 0.1748768), wk = 0.0035211 k( 104) = ( -0.0934621 0.1302387 0.1603038), wk = 0.0035211 k( 105) = ( -0.0849656 0.1183989 0.1457307), wk = 0.0035211 k( 106) = ( -0.0764690 0.1065590 0.1311576), wk = 0.0035211 k( 107) = ( -0.0679724 0.0947191 0.1165846), wk = 0.0035211 k( 108) = ( -0.0594759 0.0828792 0.1020115), wk = 0.0035211 k( 109) = ( -0.0509793 0.0710393 0.0874384), wk = 0.0035211 k( 110) = ( -0.0424828 0.0591994 0.0728654), wk = 0.0035211 k( 111) = ( -0.0339862 0.0473595 0.0582923), wk = 0.0035211 k( 112) = ( -0.0254897 0.0355197 0.0437192), wk = 0.0035211 k( 113) = ( -0.0169931 0.0236798 0.0291461), wk = 0.0035211 k( 114) = ( -0.0084966 0.0118399 0.0145731), wk = 0.0035211 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 117) = ( 0.0166667 0.0119604 0.0000000), wk = 0.0035211 k( 118) = ( 0.0333333 0.0239207 0.0000000), wk = 0.0035211 k( 119) = ( 0.0500000 0.0358811 0.0000000), wk = 0.0035211 k( 120) = ( 0.0666667 0.0478414 0.0000000), wk = 0.0035211 k( 121) = ( 0.0833333 0.0598018 0.0000000), wk = 0.0035211 k( 122) = ( 0.1000000 0.0717621 0.0000000), wk = 0.0035211 k( 123) = ( 0.1166667 0.0837225 0.0000000), wk = 0.0035211 k( 124) = ( 0.1333333 0.0956828 0.0000000), wk = 0.0035211 k( 125) = ( 0.1500000 0.1076432 0.0000000), wk = 0.0035211 k( 126) = ( 0.1666667 0.1196036 0.0000000), wk = 0.0035211 k( 127) = ( 0.1833333 0.1315639 0.0000000), wk = 0.0035211 k( 128) = ( 0.2000000 0.1435243 0.0000000), wk = 0.0035211 k( 129) = ( 0.2166667 0.1554846 0.0000000), wk = 0.0035211 k( 130) = ( 0.2333333 0.1674450 0.0000000), wk = 0.0035211 k( 131) = ( 0.2500000 0.1794053 0.0000000), wk = 0.0035211 k( 132) = ( 0.2666667 0.1913657 0.0000000), wk = 0.0035211 k( 133) = ( 0.2833333 0.2033261 0.0000000), wk = 0.0035211 k( 134) = ( 0.3000000 0.2152864 0.0000000), wk = 0.0035211 k( 135) = ( 0.3166667 0.2272468 0.0000000), wk = 0.0035211 k( 136) = ( 0.3333333 0.2392071 0.0000000), wk = 0.0035211 k( 137) = ( 0.3500000 0.2511675 0.0000000), wk = 0.0035211 k( 138) = ( 0.3666667 0.2631278 0.0000000), wk = 0.0035211 k( 139) = ( 0.3833333 0.2750882 0.0000000), wk = 0.0035211 k( 140) = ( 0.4000000 0.2870486 0.0000000), wk = 0.0035211 k( 141) = ( 0.4166667 0.2990089 0.0000000), wk = 0.0035211 k( 142) = ( 0.4333333 0.3109693 0.0000000), wk = 0.0035211 k( 143) = ( 0.4500000 0.3229296 0.0000000), wk = 0.0035211 k( 144) = ( 0.4666667 0.3348900 0.0000000), wk = 0.0035211 k( 145) = ( 0.4833333 0.3468503 0.0000000), wk = 0.0035211 k( 146) = ( 0.5000000 0.3588107 0.0000000), wk = 0.0035211 k( 147) = ( 0.5000000 0.3588107 0.0000000), wk = 0.0035211 k( 148) = ( 0.4915624 0.3705684 0.0144720), wk = 0.0035211 k( 149) = ( 0.4831248 0.3823262 0.0289439), wk = 0.0035211 k( 150) = ( 0.4746872 0.3940839 0.0434159), wk = 0.0035211 k( 151) = ( 0.4662496 0.4058417 0.0578879), wk = 0.0035211 k( 152) = ( 0.4578119 0.4175994 0.0723599), wk = 0.0035211 k( 153) = ( 0.4493743 0.4293572 0.0868318), wk = 0.0035211 k( 154) = ( 0.4409367 0.4411149 0.1013038), wk = 0.0035211 k( 155) = ( 0.4324991 0.4528727 0.1157758), wk = 0.0035211 k( 156) = ( 0.4240615 0.4646304 0.1302477), wk = 0.0035211 k( 157) = ( 0.4156239 0.4763882 0.1447197), wk = 0.0035211 k( 158) = ( 0.4071863 0.4881459 0.1591917), wk = 0.0035211 k( 159) = ( 0.3987487 0.4999037 0.1736636), wk = 0.0035211 k( 160) = ( 0.3903111 0.5116614 0.1881356), wk = 0.0035211 k( 161) = ( 0.3818734 0.5234192 0.2026076), wk = 0.0035211 k( 162) = ( 0.3734358 0.5351769 0.2170796), wk = 0.0035211 k( 163) = ( 0.3649982 0.5469347 0.2315515), wk = 0.0035211 k( 164) = ( 0.3565606 0.5586924 0.2460235), wk = 0.0035211 k( 165) = ( 0.3481230 0.5704501 0.2604955), wk = 0.0035211 k( 166) = ( 0.3396854 0.5822079 0.2749674), wk = 0.0035211 k( 167) = ( 0.3312478 0.5939656 0.2894394), wk = 0.0035211 k( 168) = ( 0.3228102 0.6057234 0.3039114), wk = 0.0035211 k( 169) = ( 0.3143726 0.6174811 0.3183833), wk = 0.0035211 k( 170) = ( 0.3143726 0.6174811 0.3183833), wk = 0.0035211 k( 171) = ( 0.2958801 0.6122045 0.3248780), wk = 0.0035211 k( 172) = ( 0.2773875 0.6069279 0.3313728), wk = 0.0035211 k( 173) = ( 0.2588951 0.6016513 0.3378675), wk = 0.0035211 k( 174) = ( 0.2404025 0.5963746 0.3443622), wk = 0.0035211 k( 175) = ( 0.2219100 0.5910980 0.3508569), wk = 0.0035211 k( 176) = ( 0.2034175 0.5858214 0.3573516), wk = 0.0035211 k( 177) = ( 0.1849250 0.5805447 0.3638463), wk = 0.0035211 k( 178) = ( 0.1664325 0.5752681 0.3703410), wk = 0.0035211 k( 179) = ( 0.1479400 0.5699915 0.3768358), wk = 0.0035211 k( 180) = ( 0.1294475 0.5647149 0.3833305), wk = 0.0035211 k( 181) = ( 0.1109550 0.5594382 0.3898252), wk = 0.0035211 k( 182) = ( 0.0924625 0.5541616 0.3963199), wk = 0.0035211 k( 183) = ( 0.0739700 0.5488850 0.4028146), wk = 0.0035211 k( 184) = ( 0.0554775 0.5436083 0.4093093), wk = 0.0035211 k( 185) = ( 0.0369850 0.5383317 0.4158040), wk = 0.0035211 k( 186) = ( 0.0184925 0.5330551 0.4222987), wk = 0.0035211 k( 187) = ( 0.0000000 0.5277785 0.4287935), wk = 0.0035211 k( 188) = ( 0.0000000 0.5277785 0.4287935), wk = 0.0035211 k( 189) = ( 0.0086207 0.5157656 0.4435794), wk = 0.0035211 k( 190) = ( 0.0172414 0.5037527 0.4583654), wk = 0.0035211 k( 191) = ( 0.0258621 0.4917399 0.4731514), wk = 0.0035211 k( 192) = ( 0.0344828 0.4797270 0.4879374), wk = 0.0035211 k( 193) = ( 0.0431035 0.4677141 0.5027234), wk = 0.0035211 k( 194) = ( 0.0517241 0.4557013 0.5175094), wk = 0.0035211 k( 195) = ( 0.0603448 0.4436884 0.5322953), wk = 0.0035211 k( 196) = ( 0.0689655 0.4316755 0.5470813), wk = 0.0035211 k( 197) = ( 0.0775862 0.4196627 0.5618673), wk = 0.0035211 k( 198) = ( 0.0862069 0.4076498 0.5766533), wk = 0.0035211 k( 199) = ( 0.0948276 0.3956369 0.5914393), wk = 0.0035211 k( 200) = ( 0.1034483 0.3836241 0.6062252), wk = 0.0035211 k( 201) = ( 0.1120690 0.3716112 0.6210112), wk = 0.0035211 k( 202) = ( 0.1206897 0.3595983 0.6357972), wk = 0.0035211 k( 203) = ( 0.1293103 0.3475855 0.6505832), wk = 0.0035211 k( 204) = ( 0.1379310 0.3355726 0.6653692), wk = 0.0035211 k( 205) = ( 0.1465517 0.3235597 0.6801551), wk = 0.0035211 k( 206) = ( 0.1551724 0.3115469 0.6949411), wk = 0.0035211 k( 207) = ( 0.1637931 0.2995340 0.7097271), wk = 0.0035211 k( 208) = ( 0.1724138 0.2875211 0.7245131), wk = 0.0035211 k( 209) = ( 0.1810345 0.2755083 0.7392991), wk = 0.0035211 k( 210) = ( 0.1896552 0.2634954 0.7540850), wk = 0.0035211 k( 211) = ( 0.1982759 0.2514825 0.7688710), wk = 0.0035211 k( 212) = ( 0.2068966 0.2394697 0.7836570), wk = 0.0035211 k( 213) = ( 0.2155172 0.2274568 0.7984430), wk = 0.0035211 k( 214) = ( 0.2241379 0.2154439 0.8132290), wk = 0.0035211 k( 215) = ( 0.2327586 0.2034311 0.8280150), wk = 0.0035211 k( 216) = ( 0.2413793 0.1914182 0.8428009), wk = 0.0035211 k( 217) = ( 0.2500000 0.1794053 0.8575869), wk = 0.0035211 k( 218) = ( 0.2500000 0.1794053 0.8575869), wk = 0.0035211 k( 219) = ( 0.2638889 0.1893723 0.8453191), wk = 0.0035211 k( 220) = ( 0.2777778 0.1993393 0.8330513), wk = 0.0035211 k( 221) = ( 0.2916667 0.2093062 0.8207835), wk = 0.0035211 k( 222) = ( 0.3055556 0.2192732 0.8085158), wk = 0.0035211 k( 223) = ( 0.3194444 0.2292402 0.7962479), wk = 0.0035211 k( 224) = ( 0.3333333 0.2392071 0.7839802), wk = 0.0035211 k( 225) = ( 0.3472222 0.2491741 0.7717124), wk = 0.0035211 k( 226) = ( 0.3611111 0.2591411 0.7594446), wk = 0.0035211 k( 227) = ( 0.3750000 0.2691080 0.7471768), wk = 0.0035211 k( 228) = ( 0.3888889 0.2790750 0.7349090), wk = 0.0035211 k( 229) = ( 0.4027778 0.2890419 0.7226412), wk = 0.0035211 k( 230) = ( 0.4166667 0.2990089 0.7103734), wk = 0.0035211 k( 231) = ( 0.4305556 0.3089759 0.6981056), wk = 0.0035211 k( 232) = ( 0.4444444 0.3189428 0.6858378), wk = 0.0035211 k( 233) = ( 0.4583333 0.3289098 0.6735700), wk = 0.0035211 k( 234) = ( 0.4722222 0.3388768 0.6613023), wk = 0.0035211 k( 235) = ( 0.4861111 0.3488437 0.6490345), wk = 0.0035211 k( 236) = ( 0.5000000 0.3588107 0.6367667), wk = 0.0035211 k( 237) = ( 0.5000000 0.3588107 0.6367667), wk = 0.0035211 k( 238) = ( 0.5000000 0.3588107 0.6162258), wk = 0.0035211 k( 239) = ( 0.5000000 0.3588107 0.5956850), wk = 0.0035211 k( 240) = ( 0.5000000 0.3588107 0.5751441), wk = 0.0035211 k( 241) = ( 0.5000000 0.3588107 0.5546032), wk = 0.0035211 k( 242) = ( 0.5000000 0.3588107 0.5340624), wk = 0.0035211 k( 243) = ( 0.5000000 0.3588107 0.5135215), wk = 0.0035211 k( 244) = ( 0.5000000 0.3588107 0.4929807), wk = 0.0035211 k( 245) = ( 0.5000000 0.3588107 0.4724398), wk = 0.0035211 k( 246) = ( 0.5000000 0.3588107 0.4518989), wk = 0.0035211 k( 247) = ( 0.5000000 0.3588107 0.4313581), wk = 0.0035211 k( 248) = ( 0.5000000 0.3588107 0.4108172), wk = 0.0035211 k( 249) = ( 0.5000000 0.3588107 0.3902764), wk = 0.0035211 k( 250) = ( 0.5000000 0.3588107 0.3697355), wk = 0.0035211 k( 251) = ( 0.5000000 0.3588107 0.3491946), wk = 0.0035211 k( 252) = ( 0.5000000 0.3588107 0.3286538), wk = 0.0035211 k( 253) = ( 0.5000000 0.3588107 0.3081129), wk = 0.0035211 k( 254) = ( 0.5000000 0.3588107 0.2875720), wk = 0.0035211 k( 255) = ( 0.5000000 0.3588107 0.2670312), wk = 0.0035211 k( 256) = ( 0.5000000 0.3588107 0.2464903), wk = 0.0035211 k( 257) = ( 0.5000000 0.3588107 0.2259495), wk = 0.0035211 k( 258) = ( 0.5000000 0.3588107 0.2054086), wk = 0.0035211 k( 259) = ( 0.5000000 0.3588107 0.1848677), wk = 0.0035211 k( 260) = ( 0.5000000 0.3588107 0.1643269), wk = 0.0035211 k( 261) = ( 0.5000000 0.3588107 0.1437860), wk = 0.0035211 k( 262) = ( 0.5000000 0.3588107 0.1232452), wk = 0.0035211 k( 263) = ( 0.5000000 0.3588107 0.1027043), wk = 0.0035211 k( 264) = ( 0.5000000 0.3588107 0.0821634), wk = 0.0035211 k( 265) = ( 0.5000000 0.3588107 0.0616226), wk = 0.0035211 k( 266) = ( 0.5000000 0.3588107 0.0410817), wk = 0.0035211 k( 267) = ( 0.5000000 0.3588107 0.0205409), wk = 0.0035211 k( 268) = ( 0.5000000 0.3588107 0.0000000), wk = 0.0035211 k( 269) = ( 0.0000000 0.0000000 0.8575869), wk = 0.0035211 k( 270) = ( 0.0166667 0.0119604 0.8575869), wk = 0.0035211 k( 271) = ( 0.0333333 0.0239207 0.8575869), wk = 0.0035211 k( 272) = ( 0.0500000 0.0358811 0.8575869), wk = 0.0035211 k( 273) = ( 0.0666667 0.0478414 0.8575869), wk = 0.0035211 k( 274) = ( 0.0833333 0.0598018 0.8575869), wk = 0.0035211 k( 275) = ( 0.1000000 0.0717621 0.8575869), wk = 0.0035211 k( 276) = ( 0.1166667 0.0837225 0.8575869), wk = 0.0035211 k( 277) = ( 0.1333333 0.0956828 0.8575869), wk = 0.0035211 k( 278) = ( 0.1500000 0.1076432 0.8575869), wk = 0.0035211 k( 279) = ( 0.1666667 0.1196036 0.8575869), wk = 0.0035211 k( 280) = ( 0.1833333 0.1315639 0.8575869), wk = 0.0035211 k( 281) = ( 0.2000000 0.1435243 0.8575869), wk = 0.0035211 k( 282) = ( 0.2166667 0.1554846 0.8575869), wk = 0.0035211 k( 283) = ( 0.2333333 0.1674450 0.8575869), wk = 0.0035211 k( 284) = ( 0.2500000 0.1794053 0.8575869), wk = 0.0035211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0035211 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0035211 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0035211 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0035211 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0035211 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0035211 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0035211 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0035211 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0035211 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0035211 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0035211 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0035211 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0035211 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0035211 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0035211 k( 17) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0035211 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0035211 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0035211 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0035211 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0035211 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0035211 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0035211 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0035211 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0035211 k( 26) = ( 0.0000000 0.0000000 0.3048780), wk = 0.0035211 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0035211 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0035211 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0035211 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0035211 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0035211 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0035211 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0035211 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0035211 k( 35) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0035211 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0035211 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0035211 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0035211 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0035211 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0035211 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0035211 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 44) = ( -0.0117041 0.0117041 0.5000000), wk = 0.0035211 k( 45) = ( -0.0234082 0.0234082 0.5000000), wk = 0.0035211 k( 46) = ( -0.0351123 0.0351123 0.5000000), wk = 0.0035211 k( 47) = ( -0.0468164 0.0468164 0.5000000), wk = 0.0035211 k( 48) = ( -0.0585205 0.0585205 0.5000000), wk = 0.0035211 k( 49) = ( -0.0702246 0.0702246 0.5000000), wk = 0.0035211 k( 50) = ( -0.0819287 0.0819287 0.5000000), wk = 0.0035211 k( 51) = ( -0.0936328 0.0936328 0.5000000), wk = 0.0035211 k( 52) = ( -0.1053369 0.1053369 0.5000000), wk = 0.0035211 k( 53) = ( -0.1170410 0.1170410 0.5000000), wk = 0.0035211 k( 54) = ( -0.1287451 0.1287451 0.5000000), wk = 0.0035211 k( 55) = ( -0.1287451 0.1287451 0.5000000), wk = 0.0035211 k( 56) = ( -0.1371827 0.1371827 0.4915624), wk = 0.0035211 k( 57) = ( -0.1456203 0.1456203 0.4831248), wk = 0.0035211 k( 58) = ( -0.1540579 0.1540579 0.4746872), wk = 0.0035211 k( 59) = ( -0.1624956 0.1624956 0.4662496), wk = 0.0035211 k( 60) = ( -0.1709332 0.1709332 0.4578119), wk = 0.0035211 k( 61) = ( -0.1793708 0.1793708 0.4493743), wk = 0.0035211 k( 62) = ( -0.1878084 0.1878084 0.4409367), wk = 0.0035211 k( 63) = ( -0.1962460 0.1962460 0.4324991), wk = 0.0035211 k( 64) = ( -0.2046836 0.2046836 0.4240615), wk = 0.0035211 k( 65) = ( -0.2131212 0.2131212 0.4156239), wk = 0.0035211 k( 66) = ( -0.2215588 0.2215588 0.4071863), wk = 0.0035211 k( 67) = ( -0.2299964 0.2299964 0.3987487), wk = 0.0035211 k( 68) = ( -0.2384341 0.2384341 0.3903111), wk = 0.0035211 k( 69) = ( -0.2468717 0.2468717 0.3818734), wk = 0.0035211 k( 70) = ( -0.2553093 0.2553093 0.3734358), wk = 0.0035211 k( 71) = ( -0.2637469 0.2637469 0.3649982), wk = 0.0035211 k( 72) = ( -0.2721845 0.2721845 0.3565606), wk = 0.0035211 k( 73) = ( -0.2806221 0.2806221 0.3481230), wk = 0.0035211 k( 74) = ( -0.2890597 0.2890597 0.3396854), wk = 0.0035211 k( 75) = ( -0.2974973 0.2974973 0.3312478), wk = 0.0035211 k( 76) = ( -0.3059349 0.3059349 0.3228102), wk = 0.0035211 k( 77) = ( -0.3143726 0.3143726 0.3143726), wk = 0.0035211 k( 78) = ( -0.3143726 0.3143726 0.3143726), wk = 0.0035211 k( 79) = ( -0.3058760 0.3058760 0.3058760), wk = 0.0035211 k( 80) = ( -0.2973794 0.2973794 0.2973794), wk = 0.0035211 k( 81) = ( -0.2888829 0.2888829 0.2888829), wk = 0.0035211 k( 82) = ( -0.2803863 0.2803863 0.2803863), wk = 0.0035211 k( 83) = ( -0.2718898 0.2718898 0.2718898), wk = 0.0035211 k( 84) = ( -0.2633932 0.2633932 0.2633932), wk = 0.0035211 k( 85) = ( -0.2548967 0.2548967 0.2548967), wk = 0.0035211 k( 86) = ( -0.2464001 0.2464001 0.2464001), wk = 0.0035211 k( 87) = ( -0.2379036 0.2379036 0.2379036), wk = 0.0035211 k( 88) = ( -0.2294070 0.2294070 0.2294070), wk = 0.0035211 k( 89) = ( -0.2209104 0.2209104 0.2209104), wk = 0.0035211 k( 90) = ( -0.2124139 0.2124139 0.2124139), wk = 0.0035211 k( 91) = ( -0.2039173 0.2039173 0.2039173), wk = 0.0035211 k( 92) = ( -0.1954208 0.1954208 0.1954208), wk = 0.0035211 k( 93) = ( -0.1869242 0.1869242 0.1869242), wk = 0.0035211 k( 94) = ( -0.1784277 0.1784277 0.1784277), wk = 0.0035211 k( 95) = ( -0.1699311 0.1699311 0.1699311), wk = 0.0035211 k( 96) = ( -0.1614346 0.1614346 0.1614346), wk = 0.0035211 k( 97) = ( -0.1529380 0.1529380 0.1529380), wk = 0.0035211 k( 98) = ( -0.1444414 0.1444414 0.1444414), wk = 0.0035211 k( 99) = ( -0.1359449 0.1359449 0.1359449), wk = 0.0035211 k( 100) = ( -0.1274483 0.1274483 0.1274483), wk = 0.0035211 k( 101) = ( -0.1189518 0.1189518 0.1189518), wk = 0.0035211 k( 102) = ( -0.1104552 0.1104552 0.1104552), wk = 0.0035211 k( 103) = ( -0.1019587 0.1019587 0.1019587), wk = 0.0035211 k( 104) = ( -0.0934621 0.0934621 0.0934621), wk = 0.0035211 k( 105) = ( -0.0849656 0.0849656 0.0849656), wk = 0.0035211 k( 106) = ( -0.0764690 0.0764690 0.0764690), wk = 0.0035211 k( 107) = ( -0.0679724 0.0679724 0.0679724), wk = 0.0035211 k( 108) = ( -0.0594759 0.0594759 0.0594759), wk = 0.0035211 k( 109) = ( -0.0509793 0.0509793 0.0509793), wk = 0.0035211 k( 110) = ( -0.0424828 0.0424828 0.0424828), wk = 0.0035211 k( 111) = ( -0.0339862 0.0339862 0.0339862), wk = 0.0035211 k( 112) = ( -0.0254897 0.0254897 0.0254897), wk = 0.0035211 k( 113) = ( -0.0169931 0.0169931 0.0169931), wk = 0.0035211 k( 114) = ( -0.0084966 0.0084966 0.0084966), wk = 0.0035211 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 117) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0035211 k( 118) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0035211 k( 119) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0035211 k( 120) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0035211 k( 121) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0035211 k( 122) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0035211 k( 123) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0035211 k( 124) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0035211 k( 125) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0035211 k( 126) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0035211 k( 127) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0035211 k( 128) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0035211 k( 129) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0035211 k( 130) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0035211 k( 131) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0035211 k( 132) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0035211 k( 133) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0035211 k( 134) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0035211 k( 135) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0035211 k( 136) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0035211 k( 137) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0035211 k( 138) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0035211 k( 139) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0035211 k( 140) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0035211 k( 141) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0035211 k( 142) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0035211 k( 143) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0035211 k( 144) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0035211 k( 145) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0035211 k( 146) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035211 k( 147) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035211 k( 148) = ( 0.4915624 0.5084376 -0.4915624), wk = 0.0035211 k( 149) = ( 0.4831248 0.5168752 -0.4831248), wk = 0.0035211 k( 150) = ( 0.4746872 0.5253128 -0.4746872), wk = 0.0035211 k( 151) = ( 0.4662496 0.5337504 -0.4662496), wk = 0.0035211 k( 152) = ( 0.4578119 0.5421881 -0.4578119), wk = 0.0035211 k( 153) = ( 0.4493743 0.5506257 -0.4493743), wk = 0.0035211 k( 154) = ( 0.4409367 0.5590633 -0.4409367), wk = 0.0035211 k( 155) = ( 0.4324991 0.5675009 -0.4324991), wk = 0.0035211 k( 156) = ( 0.4240615 0.5759385 -0.4240615), wk = 0.0035211 k( 157) = ( 0.4156239 0.5843761 -0.4156239), wk = 0.0035211 k( 158) = ( 0.4071863 0.5928137 -0.4071863), wk = 0.0035211 k( 159) = ( 0.3987487 0.6012513 -0.3987487), wk = 0.0035211 k( 160) = ( 0.3903111 0.6096889 -0.3903111), wk = 0.0035211 k( 161) = ( 0.3818734 0.6181266 -0.3818734), wk = 0.0035211 k( 162) = ( 0.3734358 0.6265642 -0.3734358), wk = 0.0035211 k( 163) = ( 0.3649982 0.6350018 -0.3649982), wk = 0.0035211 k( 164) = ( 0.3565606 0.6434394 -0.3565606), wk = 0.0035211 k( 165) = ( 0.3481230 0.6518770 -0.3481230), wk = 0.0035211 k( 166) = ( 0.3396854 0.6603146 -0.3396854), wk = 0.0035211 k( 167) = ( 0.3312478 0.6687522 -0.3312478), wk = 0.0035211 k( 168) = ( 0.3228102 0.6771898 -0.3228102), wk = 0.0035211 k( 169) = ( 0.3143726 0.6856274 -0.3143726), wk = 0.0035211 k( 170) = ( 0.3143726 0.6856274 -0.3143726), wk = 0.0035211 k( 171) = ( 0.2958801 0.6747082 -0.2958801), wk = 0.0035211 k( 172) = ( 0.2773875 0.6637889 -0.2773875), wk = 0.0035211 k( 173) = ( 0.2588951 0.6528697 -0.2588951), wk = 0.0035211 k( 174) = ( 0.2404025 0.6419504 -0.2404025), wk = 0.0035211 k( 175) = ( 0.2219100 0.6310311 -0.2219100), wk = 0.0035211 k( 176) = ( 0.2034175 0.6201119 -0.2034175), wk = 0.0035211 k( 177) = ( 0.1849250 0.6091926 -0.1849250), wk = 0.0035211 k( 178) = ( 0.1664325 0.5982734 -0.1664325), wk = 0.0035211 k( 179) = ( 0.1479400 0.5873541 -0.1479400), wk = 0.0035211 k( 180) = ( 0.1294475 0.5764348 -0.1294475), wk = 0.0035211 k( 181) = ( 0.1109550 0.5655156 -0.1109550), wk = 0.0035211 k( 182) = ( 0.0924625 0.5545963 -0.0924625), wk = 0.0035211 k( 183) = ( 0.0739700 0.5436770 -0.0739700), wk = 0.0035211 k( 184) = ( 0.0554775 0.5327578 -0.0554775), wk = 0.0035211 k( 185) = ( 0.0369850 0.5218385 -0.0369850), wk = 0.0035211 k( 186) = ( 0.0184925 0.5109193 -0.0184925), wk = 0.0035211 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035211 k( 188) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035211 k( 189) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0035211 k( 190) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0035211 k( 191) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0035211 k( 192) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0035211 k( 193) = ( 0.0431035 0.4568966 0.0431034), wk = 0.0035211 k( 194) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0035211 k( 195) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0035211 k( 196) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0035211 k( 197) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0035211 k( 198) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0035211 k( 199) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0035211 k( 200) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0035211 k( 201) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0035211 k( 202) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0035211 k( 203) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0035211 k( 204) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0035211 k( 205) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0035211 k( 206) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0035211 k( 207) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0035211 k( 208) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0035211 k( 209) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0035211 k( 210) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0035211 k( 211) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0035211 k( 212) = ( 0.2068966 0.2931034 0.2068965), wk = 0.0035211 k( 213) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0035211 k( 214) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0035211 k( 215) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0035211 k( 216) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0035211 k( 217) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035211 k( 218) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035211 k( 219) = ( 0.2638889 0.2638889 0.2289586), wk = 0.0035211 k( 220) = ( 0.2777778 0.2777778 0.2079172), wk = 0.0035211 k( 221) = ( 0.2916667 0.2916667 0.1868758), wk = 0.0035211 k( 222) = ( 0.3055556 0.3055556 0.1658344), wk = 0.0035211 k( 223) = ( 0.3194444 0.3194444 0.1447930), wk = 0.0035211 k( 224) = ( 0.3333333 0.3333333 0.1237516), wk = 0.0035211 k( 225) = ( 0.3472222 0.3472222 0.1027102), wk = 0.0035211 k( 226) = ( 0.3611111 0.3611111 0.0816688), wk = 0.0035211 k( 227) = ( 0.3750000 0.3750000 0.0606274), wk = 0.0035211 k( 228) = ( 0.3888889 0.3888889 0.0395860), wk = 0.0035211 k( 229) = ( 0.4027778 0.4027778 0.0185446), wk = 0.0035211 k( 230) = ( 0.4166667 0.4166667 -0.0024967), wk = 0.0035211 k( 231) = ( 0.4305556 0.4305556 -0.0235381), wk = 0.0035211 k( 232) = ( 0.4444444 0.4444444 -0.0445795), wk = 0.0035211 k( 233) = ( 0.4583333 0.4583333 -0.0656209), wk = 0.0035211 k( 234) = ( 0.4722222 0.4722222 -0.0866623), wk = 0.0035211 k( 235) = ( 0.4861111 0.4861111 -0.1077037), wk = 0.0035211 k( 236) = ( 0.5000000 0.5000000 -0.1287451), wk = 0.0035211 k( 237) = ( 0.5000000 0.5000000 -0.1287451), wk = 0.0035211 k( 238) = ( 0.5000000 0.5000000 -0.1407211), wk = 0.0035211 k( 239) = ( 0.5000000 0.5000000 -0.1526970), wk = 0.0035211 k( 240) = ( 0.5000000 0.5000000 -0.1646730), wk = 0.0035211 k( 241) = ( 0.5000000 0.5000000 -0.1766490), wk = 0.0035211 k( 242) = ( 0.5000000 0.5000000 -0.1886249), wk = 0.0035211 k( 243) = ( 0.5000000 0.5000000 -0.2006009), wk = 0.0035211 k( 244) = ( 0.5000000 0.5000000 -0.2125769), wk = 0.0035211 k( 245) = ( 0.5000000 0.5000000 -0.2245528), wk = 0.0035211 k( 246) = ( 0.5000000 0.5000000 -0.2365288), wk = 0.0035211 k( 247) = ( 0.5000000 0.5000000 -0.2485047), wk = 0.0035211 k( 248) = ( 0.5000000 0.5000000 -0.2604807), wk = 0.0035211 k( 249) = ( 0.5000000 0.5000000 -0.2724567), wk = 0.0035211 k( 250) = ( 0.5000000 0.5000000 -0.2844327), wk = 0.0035211 k( 251) = ( 0.5000000 0.5000000 -0.2964086), wk = 0.0035211 k( 252) = ( 0.5000000 0.5000000 -0.3083846), wk = 0.0035211 k( 253) = ( 0.5000000 0.5000000 -0.3203605), wk = 0.0035211 k( 254) = ( 0.5000000 0.5000000 -0.3323365), wk = 0.0035211 k( 255) = ( 0.5000000 0.5000000 -0.3443125), wk = 0.0035211 k( 256) = ( 0.5000000 0.5000000 -0.3562884), wk = 0.0035211 k( 257) = ( 0.5000000 0.5000000 -0.3682644), wk = 0.0035211 k( 258) = ( 0.5000000 0.5000000 -0.3802404), wk = 0.0035211 k( 259) = ( 0.5000000 0.5000000 -0.3922163), wk = 0.0035211 k( 260) = ( 0.5000000 0.5000000 -0.4041923), wk = 0.0035211 k( 261) = ( 0.5000000 0.5000000 -0.4161683), wk = 0.0035211 k( 262) = ( 0.5000000 0.5000000 -0.4281442), wk = 0.0035211 k( 263) = ( 0.5000000 0.5000000 -0.4401202), wk = 0.0035211 k( 264) = ( 0.5000000 0.5000000 -0.4520961), wk = 0.0035211 k( 265) = ( 0.5000000 0.5000000 -0.4640721), wk = 0.0035211 k( 266) = ( 0.5000000 0.5000000 -0.4760481), wk = 0.0035211 k( 267) = ( 0.5000000 0.5000000 -0.4880240), wk = 0.0035211 k( 268) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035211 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 270) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0035211 k( 271) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0035211 k( 272) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0035211 k( 273) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0035211 k( 274) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0035211 k( 275) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0035211 k( 276) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0035211 k( 277) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0035211 k( 278) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0035211 k( 279) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035211 k( 280) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0035211 k( 281) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0035211 k( 282) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0035211 k( 283) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0035211 k( 284) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035211 Dense grid: 83781 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 44051 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 242, 62) NL pseudopotentials 0.43 Mb ( 121, 232) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1746) G-vector shells 0.01 Mb ( 812) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.92 Mb ( 242, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.44 Mb ( 232, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnGeP2.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 45.5 secs Computing kpt #: 2 total cpu time spent up to now is 48.6 secs Computing kpt #: 3 total cpu time spent up to now is 52.0 secs Computing kpt #: 4 total cpu time spent up to now is 55.1 secs Computing kpt #: 5 total cpu time spent up to now is 58.5 secs Computing kpt #: 6 total cpu time spent up to now is 62.0 secs Computing kpt #: 7 total cpu time spent up to now is 65.4 secs Computing kpt #: 8 total cpu time spent up to now is 68.7 secs Computing kpt #: 9 total cpu time spent up to now is 72.2 secs Computing kpt #: 10 total cpu time spent up to now is 75.6 secs Computing kpt #: 11 total cpu time spent up to now is 79.0 secs Computing kpt #: 12 total cpu time spent up to now is 82.4 secs Computing kpt #: 13 total cpu time spent up to now is 85.9 secs Computing kpt #: 14 total cpu time spent up to now is 89.3 secs Computing kpt #: 15 total cpu time spent up to now is 92.8 secs Computing kpt #: 16 total cpu time spent up to now is 96.4 secs Computing kpt #: 17 total cpu time spent up to now is 99.9 secs Computing kpt #: 18 total cpu time spent up to now is 103.8 secs Computing kpt #: 19 total cpu time spent up to now is 108.4 secs Computing kpt #: 20 total cpu time spent up to now is 113.0 secs Computing kpt #: 21 total cpu time spent up to now is 121.0 secs Computing kpt #: 22 total cpu time spent up to now is 126.9 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.4 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.8 secs Computing kpt #: 25 total cpu time spent up to now is 146.4 secs Computing kpt #: 26 total cpu time spent up to now is 151.0 secs Computing kpt #: 27 total cpu time spent up to now is 155.7 secs Computing kpt #: 28 total cpu time spent up to now is 160.6 secs Computing kpt #: 29 total cpu time spent up to now is 165.3 secs Computing kpt #: 30 total cpu time spent up to now is 170.0 secs Computing kpt #: 31 total cpu time spent up to now is 175.2 secs Computing kpt #: 32 total cpu time spent up to now is 179.8 secs Computing kpt #: 33 total cpu time spent up to now is 185.0 secs Computing kpt #: 34 total cpu time spent up to now is 190.7 secs Computing kpt #: 35 total cpu time spent up to now is 196.1 secs Computing kpt #: 36 total cpu time spent up to now is 201.3 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.9 secs Computing kpt #: 38 total cpu time spent up to now is 215.1 secs Computing kpt #: 39 total cpu time spent up to now is 220.7 secs Computing kpt #: 40 total cpu time spent up to now is 226.0 secs Computing kpt #: 41 total cpu time spent up to now is 230.3 secs Computing kpt #: 42 total cpu time spent up to now is 234.5 secs Computing kpt #: 43 total cpu time spent up to now is 238.6 secs Computing kpt #: 44 total cpu time spent up to now is 243.7 secs Computing kpt #: 45 total cpu time spent up to now is 248.8 secs Computing kpt #: 46 total cpu time spent up to now is 253.5 secs Computing kpt #: 47 total cpu time spent up to now is 258.7 secs Computing kpt #: 48 total cpu time spent up to now is 263.1 secs Computing kpt #: 49 total cpu time spent up to now is 267.6 secs Computing kpt #: 50 total cpu time spent up to now is 272.1 secs Computing kpt #: 51 total cpu time spent up to now is 276.7 secs Computing kpt #: 52 total cpu time spent up to now is 281.3 secs Computing kpt #: 53 total cpu time spent up to now is 286.0 secs Computing kpt #: 54 total cpu time spent up to now is 290.7 secs Computing kpt #: 55 total cpu time spent up to now is 295.4 secs Computing kpt #: 56 total cpu time spent up to now is 300.2 secs Computing kpt #: 57 total cpu time spent up to now is 304.9 secs Computing kpt #: 58 total cpu time spent up to now is 309.5 secs Computing kpt #: 59 total cpu time spent up to now is 313.9 secs Computing kpt #: 60 total cpu time spent up to now is 318.0 secs Computing kpt #: 61 total cpu time spent up to now is 322.0 secs Computing kpt #: 62 total cpu time spent up to now is 325.5 secs Computing kpt #: 63 total cpu time spent up to now is 329.0 secs Computing kpt #: 64 total cpu time spent up to now is 332.5 secs Computing kpt #: 65 total cpu time spent up to now is 336.1 secs Computing kpt #: 66 total cpu time spent up to now is 339.9 secs Computing kpt #: 67 total cpu time spent up to now is 343.4 secs Computing kpt #: 68 total cpu time spent up to now is 347.1 secs Computing kpt #: 69 total cpu time spent up to now is 350.7 secs Computing kpt #: 70 total cpu time spent up to now is 354.4 secs Computing kpt #: 71 total cpu time spent up to now is 358.2 secs Computing kpt #: 72 total cpu time spent up to now is 362.2 secs Computing kpt #: 73 total cpu time spent up to now is 366.2 secs Computing kpt #: 74 total cpu time spent up to now is 370.4 secs Computing kpt #: 75 total cpu time spent up to now is 374.9 secs Computing kpt #: 76 total cpu time spent up to now is 379.4 secs Computing kpt #: 77 total cpu time spent up to now is 383.6 secs Computing kpt #: 78 total cpu time spent up to now is 387.9 secs Computing kpt #: 79 total cpu time spent up to now is 392.2 secs Computing kpt #: 80 total cpu time spent up to now is 396.8 secs Computing kpt #: 81 total cpu time spent up to now is 402.8 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 410.3 secs Computing kpt #: 83 total cpu time spent up to now is 415.8 secs Computing kpt #: 84 total cpu time spent up to now is 423.4 secs Computing kpt #: 85 total cpu time spent up to now is 428.1 secs Computing kpt #: 86 total cpu time spent up to now is 432.8 secs Computing kpt #: 87 total cpu time spent up to now is 437.1 secs Computing kpt #: 88 total cpu time spent up to now is 441.3 secs Computing kpt #: 89 total cpu time spent up to now is 445.3 secs Computing kpt #: 90 total cpu time spent up to now is 449.2 secs Computing kpt #: 91 total cpu time spent up to now is 453.1 secs Computing kpt #: 92 total cpu time spent up to now is 457.5 secs Computing kpt #: 93 total cpu time spent up to now is 462.0 secs Computing kpt #: 94 total cpu time spent up to now is 465.9 secs Computing kpt #: 95 total cpu time spent up to now is 469.5 secs Computing kpt #: 96 total cpu time spent up to now is 473.0 secs Computing kpt #: 97 total cpu time spent up to now is 476.4 secs Computing kpt #: 98 total cpu time spent up to now is 479.8 secs Computing kpt #: 99 total cpu time spent up to now is 483.3 secs Computing kpt #: 100 total cpu time spent up to now is 486.7 secs Computing kpt #: 101 total cpu time spent up to now is 490.2 secs Computing kpt #: 102 total cpu time spent up to now is 493.8 secs Computing kpt #: 103 total cpu time spent up to now is 497.2 secs Computing kpt #: 104 total cpu time spent up to now is 500.7 secs Computing kpt #: 105 total cpu time spent up to now is 504.5 secs Computing kpt #: 106 total cpu time spent up to now is 507.9 secs Computing kpt #: 107 total cpu time spent up to now is 511.2 secs Computing kpt #: 108 total cpu time spent up to now is 514.6 secs Computing kpt #: 109 total cpu time spent up to now is 517.9 secs Computing kpt #: 110 total cpu time spent up to now is 521.3 secs Computing kpt #: 111 total cpu time spent up to now is 524.7 secs Computing kpt #: 112 total cpu time spent up to now is 528.1 secs Computing kpt #: 113 total cpu time spent up to now is 531.3 secs Computing kpt #: 114 total cpu time spent up to now is 534.7 secs Computing kpt #: 115 total cpu time spent up to now is 538.0 secs Computing kpt #: 116 total cpu time spent up to now is 541.3 secs Computing kpt #: 117 total cpu time spent up to now is 544.5 secs Computing kpt #: 118 total cpu time spent up to now is 547.9 secs Computing kpt #: 119 total cpu time spent up to now is 551.4 secs Computing kpt #: 120 total cpu time spent up to now is 554.8 secs Computing kpt #: 121 total cpu time spent up to now is 559.2 secs Computing kpt #: 122 total cpu time spent up to now is 563.8 secs Computing kpt #: 123 total cpu time spent up to now is 568.3 secs Computing kpt #: 124 total cpu time spent up to now is 572.8 secs Computing kpt #: 125 total cpu time spent up to now is 577.2 secs Computing kpt #: 126 total cpu time spent up to now is 581.8 secs Computing kpt #: 127 total cpu time spent up to now is 586.0 secs Computing kpt #: 128 total cpu time spent up to now is 590.0 secs Computing kpt #: 129 total cpu time spent up to now is 594.0 secs Computing kpt #: 130 total cpu time spent up to now is 597.8 secs Computing kpt #: 131 total cpu time spent up to now is 601.3 secs Computing kpt #: 132 total cpu time spent up to now is 604.9 secs Computing kpt #: 133 total cpu time spent up to now is 608.3 secs Computing kpt #: 134 total cpu time spent up to now is 611.8 secs Computing kpt #: 135 total cpu time spent up to now is 615.1 secs Computing kpt #: 136 total cpu time spent up to now is 618.5 secs Computing kpt #: 137 total cpu time spent up to now is 621.8 secs Computing kpt #: 138 total cpu time spent up to now is 625.1 secs Computing kpt #: 139 total cpu time spent up to now is 628.5 secs Computing kpt #: 140 total cpu time spent up to now is 631.8 secs Computing kpt #: 141 total cpu time spent up to now is 635.1 secs Computing kpt #: 142 total cpu time spent up to now is 638.5 secs Computing kpt #: 143 total cpu time spent up to now is 641.9 secs Computing kpt #: 144 total cpu time spent up to now is 645.3 secs Computing kpt #: 145 total cpu time spent up to now is 648.7 secs Computing kpt #: 146 total cpu time spent up to now is 652.1 secs Computing kpt #: 147 total cpu time spent up to now is 655.5 secs Computing kpt #: 148 total cpu time spent up to now is 659.2 secs Computing kpt #: 149 total cpu time spent up to now is 663.7 secs Computing kpt #: 150 total cpu time spent up to now is 668.1 secs Computing kpt #: 151 total cpu time spent up to now is 672.3 secs Computing kpt #: 152 total cpu time spent up to now is 676.0 secs Computing kpt #: 153 total cpu time spent up to now is 680.2 secs Computing kpt #: 154 total cpu time spent up to now is 684.6 secs Computing kpt #: 155 total cpu time spent up to now is 688.8 secs Computing kpt #: 156 total cpu time spent up to now is 693.0 secs Computing kpt #: 157 total cpu time spent up to now is 696.8 secs Computing kpt #: 158 total cpu time spent up to now is 701.0 secs Computing kpt #: 159 total cpu time spent up to now is 705.3 secs Computing kpt #: 160 total cpu time spent up to now is 710.5 secs Computing kpt #: 161 total cpu time spent up to now is 715.5 secs Computing kpt #: 162 total cpu time spent up to now is 722.3 secs Computing kpt #: 163 total cpu time spent up to now is 728.5 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 735.7 secs Computing kpt #: 165 total cpu time spent up to now is 741.6 secs Computing kpt #: 166 total cpu time spent up to now is 748.3 secs Computing kpt #: 167 total cpu time spent up to now is 753.0 secs Computing kpt #: 168 total cpu time spent up to now is 757.5 secs Computing kpt #: 169 total cpu time spent up to now is 762.0 secs Computing kpt #: 170 total cpu time spent up to now is 766.6 secs Computing kpt #: 171 total cpu time spent up to now is 771.2 secs Computing kpt #: 172 total cpu time spent up to now is 776.3 secs Computing kpt #: 173 total cpu time spent up to now is 781.4 secs Computing kpt #: 174 total cpu time spent up to now is 786.6 secs Computing kpt #: 175 total cpu time spent up to now is 791.3 secs Computing kpt #: 176 total cpu time spent up to now is 796.0 secs Computing kpt #: 177 total cpu time spent up to now is 800.6 secs Computing kpt #: 178 total cpu time spent up to now is 805.2 secs Computing kpt #: 179 total cpu time spent up to now is 809.5 secs Computing kpt #: 180 total cpu time spent up to now is 814.2 secs Computing kpt #: 181 total cpu time spent up to now is 819.2 secs Computing kpt #: 182 total cpu time spent up to now is 824.5 secs Computing kpt #: 183 total cpu time spent up to now is 830.7 secs Computing kpt #: 184 total cpu time spent up to now is 836.0 secs Computing kpt #: 185 total cpu time spent up to now is 841.3 secs Computing kpt #: 186 total cpu time spent up to now is 846.1 secs Computing kpt #: 187 total cpu time spent up to now is 850.6 secs Computing kpt #: 188 total cpu time spent up to now is 855.3 secs Computing kpt #: 189 total cpu time spent up to now is 860.0 secs Computing kpt #: 190 total cpu time spent up to now is 864.7 secs Computing kpt #: 191 total cpu time spent up to now is 869.2 secs Computing kpt #: 192 total cpu time spent up to now is 874.0 secs Computing kpt #: 193 total cpu time spent up to now is 878.9 secs Computing kpt #: 194 total cpu time spent up to now is 884.3 secs Computing kpt #: 195 total cpu time spent up to now is 889.9 secs Computing kpt #: 196 total cpu time spent up to now is 895.5 secs Computing kpt #: 197 total cpu time spent up to now is 901.1 secs Computing kpt #: 198 total cpu time spent up to now is 906.6 secs Computing kpt #: 199 total cpu time spent up to now is 914.1 secs Computing kpt #: 200 total cpu time spent up to now is 918.6 secs Computing kpt #: 201 total cpu time spent up to now is 923.9 secs Computing kpt #: 202 total cpu time spent up to now is 928.6 secs Computing kpt #: 203 total cpu time spent up to now is 933.5 secs Computing kpt #: 204 total cpu time spent up to now is 937.8 secs Computing kpt #: 205 total cpu time spent up to now is 942.2 secs Computing kpt #: 206 total cpu time spent up to now is 946.6 secs Computing kpt #: 207 total cpu time spent up to now is 951.0 secs Computing kpt #: 208 total cpu time spent up to now is 955.3 secs Computing kpt #: 209 total cpu time spent up to now is 959.5 secs Computing kpt #: 210 total cpu time spent up to now is 963.6 secs Computing kpt #: 211 total cpu time spent up to now is 967.4 secs Computing kpt #: 212 total cpu time spent up to now is 971.3 secs Computing kpt #: 213 total cpu time spent up to now is 975.2 secs Computing kpt #: 214 total cpu time spent up to now is 979.1 secs Computing kpt #: 215 total cpu time spent up to now is 983.0 secs Computing kpt #: 216 total cpu time spent up to now is 987.2 secs Computing kpt #: 217 total cpu time spent up to now is 990.9 secs Computing kpt #: 218 total cpu time spent up to now is 994.7 secs Computing kpt #: 219 total cpu time spent up to now is 999.7 secs Computing kpt #: 220 total cpu time spent up to now is 1003.8 secs Computing kpt #: 221 total cpu time spent up to now is 1008.1 secs Computing kpt #: 222 total cpu time spent up to now is 1012.0 secs Computing kpt #: 223 total cpu time spent up to now is 1016.6 secs Computing kpt #: 224 total cpu time spent up to now is 1022.1 secs Computing kpt #: 225 total cpu time spent up to now is 1026.0 secs Computing kpt #: 226 total cpu time spent up to now is 1030.2 secs Computing kpt #: 227 total cpu time spent up to now is 1034.7 secs Computing kpt #: 228 total cpu time spent up to now is 1038.7 secs Computing kpt #: 229 total cpu time spent up to now is 1042.4 secs Computing kpt #: 230 total cpu time spent up to now is 1046.0 secs Computing kpt #: 231 total cpu time spent up to now is 1049.6 secs Computing kpt #: 232 total cpu time spent up to now is 1053.2 secs Computing kpt #: 233 total cpu time spent up to now is 1057.4 secs Computing kpt #: 234 total cpu time spent up to now is 1061.4 secs Computing kpt #: 235 total cpu time spent up to now is 1065.7 secs Computing kpt #: 236 total cpu time spent up to now is 1070.2 secs Computing kpt #: 237 total cpu time spent up to now is 1074.8 secs Computing kpt #: 238 total cpu time spent up to now is 1079.4 secs Computing kpt #: 239 total cpu time spent up to now is 1084.0 secs Computing kpt #: 240 total cpu time spent up to now is 1088.5 secs Computing kpt #: 241 total cpu time spent up to now is 1092.8 secs Computing kpt #: 242 total cpu time spent up to now is 1097.2 secs Computing kpt #: 243 total cpu time spent up to now is 1101.6 secs Computing kpt #: 244 total cpu time spent up to now is 1105.9 secs Computing kpt #: 245 total cpu time spent up to now is 1110.3 secs Computing kpt #: 246 total cpu time spent up to now is 1114.6 secs Computing kpt #: 247 total cpu time spent up to now is 1118.8 secs Computing kpt #: 248 total cpu time spent up to now is 1123.1 secs Computing kpt #: 249 total cpu time spent up to now is 1127.5 secs Computing kpt #: 250 total cpu time spent up to now is 1131.9 secs Computing kpt #: 251 total cpu time spent up to now is 1136.2 secs Computing kpt #: 252 total cpu time spent up to now is 1140.5 secs Computing kpt #: 253 total cpu time spent up to now is 1144.8 secs Computing kpt #: 254 total cpu time spent up to now is 1149.1 secs Computing kpt #: 255 total cpu time spent up to now is 1153.4 secs Computing kpt #: 256 total cpu time spent up to now is 1157.8 secs Computing kpt #: 257 total cpu time spent up to now is 1162.2 secs Computing kpt #: 258 total cpu time spent up to now is 1166.4 secs Computing kpt #: 259 total cpu time spent up to now is 1170.8 secs Computing kpt #: 260 total cpu time spent up to now is 1175.2 secs Computing kpt #: 261 total cpu time spent up to now is 1179.5 secs Computing kpt #: 262 total cpu time spent up to now is 1183.7 secs Computing kpt #: 263 total cpu time spent up to now is 1188.2 secs Computing kpt #: 264 total cpu time spent up to now is 1192.5 secs Computing kpt #: 265 total cpu time spent up to now is 1197.3 secs Computing kpt #: 266 total cpu time spent up to now is 1201.6 secs Computing kpt #: 267 total cpu time spent up to now is 1205.2 secs Computing kpt #: 268 total cpu time spent up to now is 1208.5 secs Computing kpt #: 269 total cpu time spent up to now is 1212.5 secs Computing kpt #: 270 total cpu time spent up to now is 1217.8 secs Computing kpt #: 271 total cpu time spent up to now is 1223.0 secs Computing kpt #: 272 total cpu time spent up to now is 1229.1 secs Computing kpt #: 273 total cpu time spent up to now is 1234.3 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1241.5 secs Computing kpt #: 275 total cpu time spent up to now is 1248.6 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1255.8 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1263.0 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1270.2 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1277.7 secs Computing kpt #: 280 total cpu time spent up to now is 1282.9 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1290.0 secs Computing kpt #: 282 total cpu time spent up to now is 1295.2 secs Computing kpt #: 283 total cpu time spent up to now is 1299.1 secs Computing kpt #: 284 total cpu time spent up to now is 1302.8 secs ethr = 1.92E-11, avg # of iterations = 46.9 total cpu time spent up to now is 1302.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5509 PWs) bands (ev): -6.7695 -6.7695 -3.7049 -3.7049 -3.6655 -3.6655 -3.6546 -3.6546 -2.9518 -2.9518 -0.4036 -0.4036 -0.3850 -0.3850 -0.2915 -0.2915 -0.2772 -0.2772 -0.1898 -0.1898 -0.1008 -0.1008 -0.0390 -0.0390 0.0705 0.0705 0.1237 0.1237 0.1450 0.1450 0.1582 0.1582 1.6956 1.6956 2.1310 2.1310 2.1979 2.1979 2.4964 2.4964 2.9596 2.9596 4.0796 4.0796 4.1026 4.1026 6.3518 6.3518 6.4168 6.4168 6.4644 6.4644 7.9553 7.9553 7.9863 7.9863 8.2864 8.2864 9.6043 9.6043 9.7495 9.7495 k = 0.0000 0.0000 0.0209 ( 5509 PWs) bands (ev): -6.7685 -6.7685 -3.7059 -3.7045 -3.6699 -3.6678 -3.6576 -3.6572 -2.9472 -2.9466 -0.4056 -0.4035 -0.3957 -0.3752 -0.2992 -0.2893 -0.2771 -0.2742 -0.1935 -0.1830 -0.1025 -0.0988 -0.0395 -0.0373 0.0663 0.0738 0.1218 0.1252 0.1406 0.1454 0.1606 0.1624 1.6952 1.6954 2.1285 2.1322 2.1962 2.1972 2.4999 2.5031 2.9601 2.9630 4.0779 4.0787 4.1016 4.1026 6.3413 6.3445 6.4082 6.4093 6.4589 6.4609 7.9594 7.9626 7.9984 7.9988 8.2921 8.2927 9.6044 9.6064 9.7499 9.7503 k = 0.0000 0.0000 0.0418 ( 5517 PWs) bands (ev): -6.7655 -6.7655 -3.7087 -3.7045 -3.6831 -3.6777 -3.6637 -3.6632 -2.9331 -2.9318 -0.4135 -0.4085 -0.3983 -0.3685 -0.3094 -0.2910 -0.2755 -0.2700 -0.1940 -0.1745 -0.1035 -0.0965 -0.0391 -0.0342 0.0613 0.0758 0.1195 0.1265 0.1367 0.1429 0.1655 0.1716 1.6942 1.6944 2.1250 2.1323 2.1927 2.1945 2.5132 2.5192 2.9643 2.9699 4.0701 4.0727 4.1023 4.1054 6.3059 6.3104 6.3920 6.3946 6.4467 6.4486 7.9741 7.9803 8.0331 8.0340 8.3106 8.3116 9.6071 9.6102 9.7514 9.7523 k = 0.0000 0.0000 0.0628 ( 5519 PWs) bands (ev): -6.7607 -6.7606 -3.7185 -3.7063 -3.7043 -3.6908 -3.6707 -3.6706 -2.9106 -2.9087 -0.4285 -0.4128 -0.3974 -0.3661 -0.3187 -0.2939 -0.2734 -0.2664 -0.1917 -0.1660 -0.1037 -0.0940 -0.0380 -0.0292 0.0558 0.0766 0.1168 0.1274 0.1349 0.1406 0.1712 0.1829 1.6921 1.6924 2.1213 2.1321 2.1888 2.1912 2.5350 2.5433 2.9712 2.9795 4.0545 4.0586 4.1088 4.1139 6.2391 6.2421 6.3794 6.3811 6.4291 6.4301 7.9970 8.0054 8.0857 8.0869 8.3440 8.3447 9.6128 9.6151 9.7546 9.7560 k = 0.0000 0.0000 0.0837 ( 5521 PWs) bands (ev): -6.7538 -6.7538 -3.7430 -3.7366 -3.7053 -3.6975 -3.6797 -3.6794 -2.8811 -2.8788 -0.4448 -0.4190 -0.3961 -0.3688 -0.3244 -0.2973 -0.2712 -0.2634 -0.1874 -0.1591 -0.1030 -0.0915 -0.0365 -0.0225 0.0497 0.0759 0.1145 0.1277 0.1352 0.1393 0.1772 0.1953 1.6887 1.6888 2.1184 2.1325 2.1860 2.1891 2.5636 2.5735 2.9795 2.9904 4.0339 4.0389 4.1205 4.1273 6.1471 6.1482 6.3641 6.3652 6.4086 6.4098 8.0246 8.0342 8.1497 8.1512 8.3945 8.3948 9.6206 9.6210 9.7603 9.7617 k = 0.0000 0.0000 0.1046 ( 5517 PWs) bands (ev): -6.7450 -6.7450 -3.7776 -3.7732 -3.7067 -3.7008 -3.6901 -3.6895 -2.8462 -2.8434 -0.4616 -0.4281 -0.3949 -0.3745 -0.3267 -0.3009 -0.2688 -0.2609 -0.1819 -0.1546 -0.1016 -0.0890 -0.0348 -0.0144 0.0435 0.0739 0.1129 0.1272 0.1374 0.1394 0.1831 0.2083 1.6833 1.6835 2.1177 2.1346 2.1856 2.1896 2.5973 2.6085 2.9877 3.0009 4.0116 4.0171 4.1363 4.1448 6.0368 6.0372 6.3360 6.3407 6.3914 6.3938 8.0536 8.0634 8.2193 8.2213 8.4628 8.4649 9.6262 9.6306 9.7699 9.7702 k = 0.0000 0.0000 0.1255 ( 5521 PWs) bands (ev): -6.7344 -6.7343 -3.8179 -3.8143 -3.7117 -3.7076 -3.6993 -3.6972 -2.8070 -2.8038 -0.4789 -0.4404 -0.3936 -0.3802 -0.3276 -0.3046 -0.2664 -0.2586 -0.1758 -0.1521 -0.1000 -0.0866 -0.0330 -0.0057 0.0372 0.0710 0.1119 0.1258 0.1407 0.1413 0.1888 0.2213 1.6754 1.6760 2.1203 2.1397 2.1885 2.1939 2.6349 2.6471 2.9939 3.0092 3.9907 3.9963 4.1557 4.1659 5.9135 5.9149 6.2957 6.3029 6.3796 6.3827 8.0819 8.0911 8.2896 8.2922 8.5499 8.5544 9.6315 9.6398 9.7819 9.7849 k = 0.0000 0.0000 0.1464 ( 5525 PWs) bands (ev): -6.7217 -6.7217 -3.8620 -3.8589 -3.7242 -3.7213 -3.7033 -3.6998 -2.7647 -2.7611 -0.4962 -0.4553 -0.3924 -0.3847 -0.3283 -0.3082 -0.2641 -0.2564 -0.1696 -0.1513 -0.0984 -0.0841 -0.0314 0.0028 0.0311 0.0675 0.1112 0.1240 0.1428 0.1467 0.1942 0.2341 1.6650 1.6661 2.1272 2.1489 2.1951 2.2022 2.6753 2.6883 2.9968 3.0137 3.9744 3.9797 4.1782 4.1901 5.7824 5.7842 6.2462 6.2552 6.3701 6.3733 8.1089 8.1171 8.3568 8.3604 8.6548 8.6618 9.6356 9.6467 9.7974 9.8067 k = 0.0000 0.0000 0.1673 ( 5535 PWs) bands (ev): -6.7073 -6.7072 -3.9087 -3.9059 -3.7407 -3.7380 -3.7052 -3.7012 -2.7200 -2.7161 -0.5134 -0.4718 -0.3911 -0.3879 -0.3293 -0.3117 -0.2621 -0.2544 -0.1636 -0.1515 -0.0971 -0.0815 -0.0300 0.0101 0.0252 0.0639 0.1107 0.1218 0.1455 0.1532 0.1991 0.2460 1.6520 1.6536 2.1392 2.1630 2.2050 2.2142 2.7178 2.7314 2.9955 3.0135 3.9652 3.9702 4.2031 4.2169 5.6465 5.6482 6.1893 6.1998 6.3610 6.3641 8.1348 8.1420 8.4185 8.4234 8.7753 8.7847 9.6380 9.6501 9.8172 9.8353 k = 0.0000 0.0000 0.1883 ( 5527 PWs) bands (ev): -6.6909 -6.6909 -3.9574 -3.9549 -3.7594 -3.7565 -3.7068 -3.7027 -2.6735 -2.6694 -0.5306 -0.4891 -0.3902 -0.3898 -0.3306 -0.3149 -0.2604 -0.2524 -0.1581 -0.1523 -0.0960 -0.0788 -0.0289 0.0159 0.0198 0.0604 0.1102 0.1195 0.1487 0.1602 0.2037 0.2568 1.6367 1.6388 2.1566 2.1828 2.2175 2.2291 2.7616 2.7758 2.9907 3.0088 3.9651 3.9697 4.2299 4.2455 5.5082 5.5093 6.1263 6.1378 6.3514 6.3545 8.1602 8.1663 8.4733 8.4797 8.9089 8.9205 9.6380 9.6497 9.8413 9.8697 k = 0.0000 0.0000 0.2092 ( 5527 PWs) bands (ev): -6.6727 -6.6727 -4.0075 -4.0051 -3.7797 -3.7766 -3.7088 -3.7044 -2.6257 -2.6214 -0.5475 -0.5067 -0.3919 -0.3885 -0.3323 -0.3180 -0.2590 -0.2506 -0.1534 -0.1533 -0.0952 -0.0760 -0.0283 0.0148 0.0199 0.0573 0.1096 0.1168 0.1521 0.1668 0.2078 0.2660 1.6194 1.6219 2.1790 2.2079 2.2316 2.2457 2.8062 2.8211 2.9841 3.0012 3.9748 3.9792 4.2572 4.2750 5.3699 5.3700 6.0579 6.0702 6.3411 6.3442 8.1856 8.1908 8.5207 8.5287 9.0532 9.0666 9.6355 9.6458 9.8696 9.9085 k = 0.0000 0.0000 0.2301 ( 5539 PWs) bands (ev): -6.6527 -6.6526 -4.0586 -4.0563 -3.8012 -3.7979 -3.7111 -3.7065 -2.5770 -2.5725 -0.5642 -0.5244 -0.3932 -0.3871 -0.3343 -0.3208 -0.2581 -0.2489 -0.1546 -0.1493 -0.0945 -0.0728 -0.0283 0.0104 0.0221 0.0547 0.1090 0.1140 0.1559 0.1723 0.2115 0.2733 1.6005 1.6034 2.2030 2.2350 2.2487 2.2655 2.8511 2.8668 2.9790 2.9942 3.9942 3.9984 4.2836 4.3037 5.2328 5.2344 5.9848 5.9977 6.3299 6.3330 8.2115 8.2159 8.5610 8.5705 9.2056 9.2208 9.6301 9.6388 9.9017 9.9503 k = 0.0000 0.0000 0.2510 ( 5539 PWs) bands (ev): -6.6309 -6.6309 -4.1102 -4.1081 -3.8238 -3.8202 -3.7139 -3.7091 -2.5275 -2.5229 -0.5807 -0.5420 -0.3943 -0.3857 -0.3365 -0.3233 -0.2575 -0.2475 -0.1559 -0.1462 -0.0939 -0.0694 -0.0288 0.0066 0.0226 0.0528 0.1082 0.1108 0.1600 0.1763 0.2149 0.2787 1.5802 1.5835 2.2186 2.2519 2.2761 2.2978 2.8956 2.9124 2.9799 2.9923 4.0225 4.0266 4.3059 4.3286 5.1013 5.1051 5.9078 5.9211 6.3177 6.3209 8.2380 8.2417 8.5945 8.6053 9.3635 9.3802 9.6219 9.6290 9.9371 9.9939 k = 0.0000 0.0000 0.2719 ( 5543 PWs) bands (ev): -6.6073 -6.6073 -4.1623 -4.1602 -3.8470 -3.8432 -3.7173 -3.7123 -2.4775 -2.4728 -0.5970 -0.5593 -0.3951 -0.3843 -0.3390 -0.3256 -0.2573 -0.2462 -0.1570 -0.1440 -0.0934 -0.0658 -0.0299 0.0035 0.0217 0.0513 0.1073 0.1074 0.1642 0.1784 0.2179 0.2819 1.5590 1.5624 2.2193 2.2546 2.3178 2.3440 2.9386 2.9569 2.9915 3.0006 4.0582 4.0623 4.3194 4.3447 4.9809 4.9875 5.8277 5.8411 6.3046 6.3078 8.2653 8.2684 8.6221 8.6340 9.5240 9.5404 9.6108 9.6182 9.9753 10.0388 k = 0.0000 0.0000 0.2928 ( 5543 PWs) bands (ev): -6.5821 -6.5821 -4.2144 -4.2125 -3.8708 -3.8668 -3.7214 -3.7162 -2.4270 -2.4223 -0.6131 -0.5764 -0.3958 -0.3828 -0.3416 -0.3277 -0.2574 -0.2453 -0.1580 -0.1427 -0.0929 -0.0618 -0.0316 0.0010 0.0197 0.0503 0.1038 0.1062 0.1687 0.1789 0.2201 0.2830 1.5367 1.5403 2.2077 2.2459 2.3701 2.3994 2.9791 2.9986 3.0182 3.0234 4.0999 4.1039 4.3160 4.3431 4.8808 4.8901 5.7453 5.7584 6.2904 6.2937 8.2936 8.2961 8.6444 8.6571 9.5965 9.5971 9.6837 9.7074 10.0159 10.0843 k = 0.0000 0.0000 0.3138 ( 5539 PWs) bands (ev): -6.5551 -6.5551 -4.2666 -4.2647 -3.8949 -3.8907 -3.7263 -3.7208 -2.3763 -2.3716 -0.6290 -0.5934 -0.3964 -0.3812 -0.3444 -0.3296 -0.2580 -0.2447 -0.1588 -0.1423 -0.0923 -0.0577 -0.0337 -0.0010 0.0170 0.0495 0.1000 0.1049 0.1733 0.1777 0.2215 0.2823 1.5136 1.5171 2.1864 2.2273 2.4305 2.4625 3.0187 3.0407 3.0576 3.0600 4.1462 4.1496 4.2860 4.3121 4.8131 4.8231 5.6614 5.6742 6.2752 6.2785 8.3227 8.3247 8.6622 8.6753 9.5797 9.5801 9.8369 9.8625 10.0586 10.1301 k = 0.0000 0.0000 0.3347 ( 5533 PWs) bands (ev): -6.5266 -6.5266 -4.3186 -4.3168 -3.9191 -3.9147 -3.7321 -3.7263 -2.3253 -2.3207 -0.6448 -0.6102 -0.3968 -0.3796 -0.3472 -0.3312 -0.2588 -0.2445 -0.1592 -0.1426 -0.0917 -0.0535 -0.0361 -0.0024 0.0138 0.0487 0.0960 0.1032 0.1753 0.1779 0.2220 0.2798 1.4893 1.4926 2.1581 2.2009 2.4976 2.5322 3.0608 3.0900 3.1022 3.1068 4.1912 4.1955 4.2317 4.2464 4.7834 4.7915 5.5773 5.5893 6.2591 6.2624 8.3525 8.3541 8.6760 8.6893 9.5595 9.5602 9.9774 10.0074 10.1035 10.1758 k = 0.0000 0.0000 0.3556 ( 5533 PWs) bands (ev): -6.4965 -6.4965 -4.3703 -4.3686 -3.9432 -3.9385 -3.7388 -3.7328 -2.2741 -2.2697 -0.6606 -0.6268 -0.3972 -0.3780 -0.3501 -0.3327 -0.2600 -0.2447 -0.1594 -0.1438 -0.0911 -0.0496 -0.0386 -0.0034 0.0102 0.0479 0.0919 0.1013 0.1718 0.1825 0.2215 0.2757 1.4637 1.4666 2.1259 2.1697 2.5705 2.6078 3.1029 3.1367 3.1597 3.1637 4.1312 4.1524 4.2484 4.2563 4.7835 4.7887 5.4944 5.5052 6.2419 6.2453 8.3829 8.3842 8.6863 8.6996 9.5363 9.5381 10.0942 10.1343 10.1538 10.2207 k = 0.0000 0.0000 0.3765 ( 5530 PWs) bands (ev): -6.4648 -6.4648 -4.4217 -4.4200 -3.9669 -3.9621 -3.7465 -3.7402 -2.2227 -2.2186 -0.6764 -0.6435 -0.3974 -0.3763 -0.3530 -0.3340 -0.2614 -0.2452 -0.1592 -0.1456 -0.0905 -0.0472 -0.0398 -0.0040 0.0064 0.0470 0.0877 0.0991 0.1675 0.1870 0.2202 0.2705 1.4365 1.4386 2.0929 2.1369 2.6480 2.6880 3.1407 3.1760 3.2321 3.2321 4.0325 4.0463 4.3013 4.3080 4.8002 4.8030 5.4146 5.4237 6.2239 6.2272 8.4135 8.4145 8.6933 8.7063 9.5108 9.5136 10.1695 10.2207 10.2368 10.2643 k = 0.0000 0.0000 0.3974 ( 5522 PWs) bands (ev): -6.4318 -6.4317 -4.4726 -4.4710 -3.9902 -3.9852 -3.7552 -3.7487 -2.1713 -2.1675 -0.6923 -0.6601 -0.3976 -0.3746 -0.3559 -0.3352 -0.2630 -0.2461 -0.1587 -0.1481 -0.0898 -0.0483 -0.0377 -0.0041 0.0025 0.0461 0.0836 0.0965 0.1626 0.1912 0.2183 0.2644 1.4076 1.4086 2.0618 2.1052 2.7285 2.7715 3.1712 3.2097 3.3110 3.3142 3.9309 3.9378 4.3548 4.3610 4.8224 4.8241 5.3411 5.3478 6.2050 6.2082 8.4440 8.4448 8.6972 8.7098 9.4833 9.4870 10.2172 10.2879 10.3028 10.3122 k = 0.0000 0.0000 0.4183 ( 5518 PWs) bands (ev): -6.3973 -6.3972 -4.5231 -4.5216 -4.0128 -4.0076 -3.7651 -3.7584 -2.1198 -2.1164 -0.7082 -0.6768 -0.3978 -0.3728 -0.3588 -0.3364 -0.2647 -0.2472 -0.1580 -0.1513 -0.0891 -0.0513 -0.0341 -0.0039 -0.0016 0.0450 0.0796 0.0936 0.1571 0.1949 0.2157 0.2577 1.3763 1.3767 2.0348 2.0769 2.8097 2.8556 3.1919 3.2348 3.3986 3.4043 3.8366 3.8367 4.4078 4.4136 4.8412 4.8433 5.2787 5.2821 6.1852 6.1885 8.4739 8.4746 8.6980 8.7102 9.4539 9.4585 10.2564 10.3224 10.3379 10.3423 k = 0.0000 0.0000 0.4393 ( 5522 PWs) bands (ev): -6.3614 -6.3614 -4.5731 -4.5716 -4.0345 -4.0291 -3.7761 -3.7691 -2.0682 -2.0654 -0.7244 -0.6936 -0.3979 -0.3710 -0.3617 -0.3374 -0.2666 -0.2486 -0.1571 -0.1551 -0.0884 -0.0547 -0.0303 -0.0058 -0.0032 0.0439 0.0757 0.0904 0.1514 0.1979 0.2126 0.2508 1.3421 1.3441 2.0133 2.0537 2.8873 2.9350 3.2003 3.2467 3.4933 3.5010 3.7530 3.7599 4.4598 4.4652 4.8477 4.8514 5.2337 5.2345 6.1648 6.1680 8.5024 8.5030 8.6958 8.7074 9.4231 9.4285 10.2882 10.3148 10.3477 10.3727 k = 0.0000 0.0000 0.4602 ( 5520 PWs) bands (ev): -6.3244 -6.3243 -4.6225 -4.6211 -4.0552 -4.0497 -3.7882 -3.7811 -2.0166 -2.0145 -0.7408 -0.7105 -0.3979 -0.3692 -0.3645 -0.3384 -0.2686 -0.2501 -0.1595 -0.1560 -0.0877 -0.0582 -0.0268 -0.0101 -0.0020 0.0428 0.0720 0.0869 0.1455 0.1998 0.2092 0.2440 1.3065 1.3102 1.9982 2.0366 2.9524 2.9948 3.2024 3.2428 3.5929 3.6035 3.6990 3.7106 4.5100 4.5149 4.8349 4.8406 5.2100 5.2151 6.1439 6.1469 8.5287 8.5294 8.6902 8.7012 9.3913 9.3975 10.3057 10.3066 10.3481 10.3960 k = 0.0000 0.0000 0.4811 ( 5522 PWs) bands (ev): -6.2861 -6.2860 -4.6713 -4.6700 -4.0748 -4.0691 -3.8015 -3.7942 -1.9651 -1.9637 -0.7576 -0.7277 -0.3979 -0.3674 -0.3673 -0.3393 -0.2706 -0.2517 -0.1644 -0.1549 -0.0871 -0.0615 -0.0235 -0.0144 -0.0003 0.0416 0.0685 0.0833 0.1396 0.2002 0.2053 0.2378 1.2701 1.2756 1.9899 2.0263 2.9839 3.0023 3.2259 3.2366 3.6753 3.6811 3.7109 3.7148 4.5579 4.5621 4.8031 4.8097 5.2122 5.2204 6.1225 6.1254 8.5514 8.5523 8.6810 8.6915 9.3593 9.3665 10.2953 10.3062 10.3592 10.4107 k = 0.0000 0.0000 0.5020 ( 5534 PWs) bands (ev): -6.2467 -6.2466 -4.7196 -4.7183 -4.0931 -4.0873 -3.8159 -3.8084 -1.9137 -1.9132 -0.7746 -0.7452 -0.3978 -0.3699 -0.3655 -0.3402 -0.2725 -0.2533 -0.1699 -0.1539 -0.0865 -0.0645 -0.0207 -0.0187 0.0019 0.0404 0.0651 0.0795 0.1337 0.1988 0.2010 0.2324 1.2341 1.2413 1.9884 2.0227 2.9498 2.9570 3.2553 3.2794 3.6940 3.6962 3.8159 3.8223 4.6029 4.6063 4.7601 4.7663 5.2338 5.2435 6.1008 6.1036 8.5690 8.5701 8.6679 8.6778 9.3283 9.3366 10.2818 10.2940 10.3721 10.4176 k = 0.0000 0.0000 0.5229 ( 5534 PWs) bands (ev): -6.2063 -6.2062 -4.7674 -4.7661 -4.1100 -4.1040 -3.8315 -3.8238 -1.8629 -1.8625 -0.7921 -0.7630 -0.3977 -0.3725 -0.3637 -0.3410 -0.2744 -0.2548 -0.1758 -0.1529 -0.0861 -0.0672 -0.0230 -0.0184 0.0046 0.0392 0.0619 0.0758 0.1281 0.1955 0.1963 0.2280 1.1996 1.2083 1.9935 2.0259 2.8653 2.8829 3.2938 3.3382 3.7281 3.7358 3.9292 3.9370 4.6442 4.6467 4.7151 4.7201 5.2667 5.2770 6.0790 6.0816 8.5794 8.5808 8.6503 8.6596 9.2999 9.3094 10.2629 10.2736 10.3823 10.4194 k = 0.0000 0.0000 0.5438 ( 5536 PWs) bands (ev): -6.1649 -6.1648 -4.8146 -4.8134 -4.1253 -4.1192 -3.8481 -3.8402 -1.8130 -1.8115 -0.8100 -0.7812 -0.3975 -0.3749 -0.3618 -0.3418 -0.2763 -0.2561 -0.1821 -0.1522 -0.0858 -0.0695 -0.0271 -0.0163 0.0077 0.0381 0.0590 0.0721 0.1226 0.1906 0.1909 0.2239 1.1676 1.1777 2.0046 2.0355 2.7663 2.7865 3.3315 3.3862 3.7813 3.7937 4.0460 4.0544 4.6693 4.6726 4.6871 4.6887 5.3056 5.3159 6.0573 6.0597 8.5804 8.5821 8.6278 8.6365 9.2761 9.2869 10.2365 10.2448 10.3905 10.4198 k = 0.0000 0.0000 0.5648 ( 5516 PWs) bands (ev): -6.1227 -6.1226 -4.8613 -4.8602 -4.1390 -4.1328 -3.8656 -3.8576 -1.7635 -1.7608 -0.8284 -0.7998 -0.3973 -0.3771 -0.3599 -0.3424 -0.2779 -0.2573 -0.1887 -0.1519 -0.0855 -0.0712 -0.0311 -0.0145 0.0110 0.0370 0.0563 0.0685 0.1176 0.1847 0.1850 0.2197 1.1392 1.1505 2.0216 2.0512 2.6608 2.6807 3.3577 3.4169 3.8496 3.8645 4.1653 4.1737 4.6416 4.6442 4.7173 4.7176 5.3473 5.3572 6.0359 6.0381 8.5696 8.5713 8.5998 8.6079 9.2590 9.2710 10.2019 10.2078 10.3983 10.4219 k = 0.0000 0.0000 0.5857 ( 5516 PWs) bands (ev): -6.0797 -6.0796 -4.9076 -4.9065 -4.1510 -4.1447 -3.8840 -3.8759 -1.7146 -1.7106 -0.8474 -0.8190 -0.3971 -0.3792 -0.3581 -0.3429 -0.2793 -0.2583 -0.1955 -0.1520 -0.0855 -0.0723 -0.0348 -0.0130 0.0143 0.0361 0.0537 0.0651 0.1128 0.1783 0.1783 0.2147 1.1154 1.1277 2.0439 2.0724 2.5529 2.5714 3.3688 3.4292 3.9271 3.9429 4.2861 4.2939 4.6250 4.6269 4.7446 4.7468 5.3900 5.3993 6.0150 6.0168 8.5454 8.5469 8.5657 8.5732 9.2503 9.2634 10.1601 10.1641 10.4065 10.4270 k = 0.0000 0.0000 0.6066 ( 5534 PWs) bands (ev): -6.0360 -6.0359 -4.9534 -4.9524 -4.1612 -4.1547 -3.9032 -3.8950 -1.6663 -1.6610 -0.8669 -0.8387 -0.3968 -0.3812 -0.3562 -0.3434 -0.2806 -0.2589 -0.2025 -0.1529 -0.0855 -0.0729 -0.0383 -0.0116 0.0177 0.0352 0.0513 0.0620 0.1084 0.1710 0.1716 0.2084 1.0967 1.1100 2.0712 2.0990 2.4447 2.4614 3.3645 3.4239 4.0073 4.0234 4.4074 4.4139 4.6259 4.6278 4.7671 4.7719 5.4325 5.4410 5.9947 5.9962 8.5074 8.5083 8.5253 8.5319 9.2507 9.2647 10.1129 10.1155 10.4155 10.4351 k = 0.0000 0.0000 0.6275 ( 5540 PWs) bands (ev): -5.9918 -5.9917 -4.9988 -4.9979 -4.1695 -4.1629 -3.9229 -3.9147 -1.6188 -1.6119 -0.8872 -0.8591 -0.3966 -0.3829 -0.3544 -0.3436 -0.2816 -0.2593 -0.2094 -0.1546 -0.0855 -0.0728 -0.0415 -0.0105 0.0210 0.0346 0.0491 0.0591 0.1045 0.1630 0.1650 0.2010 1.0840 1.0981 2.1031 2.1304 2.3377 2.3524 3.3455 3.4031 4.0846 4.1009 4.5281 4.5317 4.6471 4.6494 4.7846 4.7933 5.4742 5.4817 5.9752 5.9764 8.4565 8.4566 8.4780 8.4838 9.2597 9.2743 10.0625 10.0641 10.4254 10.4458 k = 0.0000 0.0000 0.6484 ( 5536 PWs) bands (ev): -5.9471 -5.9470 -5.0440 -5.0431 -4.1759 -4.1692 -3.9432 -3.9349 -1.5721 -1.5637 -0.9081 -0.8801 -0.3963 -0.3845 -0.3526 -0.3436 -0.2823 -0.2592 -0.2163 -0.1573 -0.0854 -0.0720 -0.0444 -0.0095 0.0241 0.0341 0.0472 0.0566 0.1009 0.1544 0.1586 0.1924 1.0776 1.0924 2.1394 2.1664 2.2327 2.2454 3.3136 3.3689 4.1554 4.1718 4.6431 4.6465 4.6897 4.6921 4.7976 4.8139 5.5146 5.5209 5.9565 5.9574 8.3937 8.3948 8.4239 8.4290 9.2761 9.2910 10.0108 10.0118 10.4357 10.4583 k = 0.0000 0.0000 0.6693 ( 5536 PWs) bands (ev): -5.9019 -5.9018 -5.0889 -5.0881 -4.1803 -4.1734 -3.9637 -3.9554 -1.5264 -1.5164 -0.9299 -0.9020 -0.3960 -0.3859 -0.3509 -0.3435 -0.2827 -0.2588 -0.2230 -0.1610 -0.0851 -0.0706 -0.0472 -0.0088 0.0268 0.0339 0.0454 0.0544 0.0977 0.1456 0.1523 0.1830 1.0779 1.0933 2.1303 2.1404 2.1803 2.2070 3.2709 3.3235 4.2185 4.2347 4.7309 4.7467 4.7541 4.7624 4.8115 4.8468 5.5533 5.5584 5.9389 5.9394 8.3226 8.3249 8.3634 8.3678 9.2982 9.3133 9.9594 9.9601 10.4462 10.4721 k = 0.0000 0.0000 0.6903 ( 5544 PWs) bands (ev): -5.8565 -5.8564 -5.1336 -5.1328 -4.1826 -4.1756 -3.9843 -3.9760 -1.4817 -1.4701 -0.9525 -0.9247 -0.3956 -0.3871 -0.3492 -0.3433 -0.2828 -0.2578 -0.2295 -0.1657 -0.0846 -0.0684 -0.0498 -0.0083 0.0291 0.0339 0.0440 0.0526 0.0949 0.1366 0.1462 0.1730 1.0850 1.1008 2.0312 2.0393 2.2243 2.2513 3.2194 3.2694 4.2747 4.2904 4.7725 4.7883 4.8296 4.8359 4.8853 4.9197 5.5902 5.5938 5.9221 5.9223 8.2463 8.2497 8.2977 8.3013 9.3246 9.3398 9.9093 9.9102 10.4564 10.4866 k = 0.0000 0.0000 0.7112 ( 5536 PWs) bands (ev): -5.8108 -5.8108 -5.1781 -5.1775 -4.1829 -4.1758 -4.0049 -3.9966 -1.4382 -1.4249 -0.9760 -0.9485 -0.3953 -0.3881 -0.3475 -0.3429 -0.2825 -0.2562 -0.2358 -0.1714 -0.0837 -0.0656 -0.0523 -0.0083 0.0308 0.0342 0.0430 0.0511 0.0925 0.1277 0.1403 0.1630 1.0991 1.1150 1.9357 1.9416 2.2721 2.2996 3.1614 3.2088 4.3260 4.3408 4.7808 4.7886 4.9139 4.9174 4.9894 5.0147 5.6250 5.6271 5.9060 5.9063 8.1682 8.1725 8.2280 8.2309 9.3539 9.3691 9.8613 9.8628 10.4658 10.5009 k = 0.0000 0.0000 0.7321 ( 5522 PWs) bands (ev): -5.7650 -5.7650 -5.2226 -5.2221 -4.1812 -4.1740 -4.0252 -4.0169 -1.3960 -1.3811 -1.0005 -0.9732 -0.3950 -0.3890 -0.3460 -0.3424 -0.2818 -0.2540 -0.2417 -0.1780 -0.0824 -0.0620 -0.0548 -0.0088 0.0319 0.0347 0.0422 0.0499 0.0904 0.1194 0.1348 0.1536 1.1199 1.1359 1.8441 1.8477 2.3234 2.3514 3.0985 3.1435 4.3740 4.3877 4.7759 4.7792 5.0027 5.0045 5.0875 5.1086 5.6578 5.6581 5.8904 5.8913 8.0915 8.0966 8.1564 8.1587 9.3853 9.4002 9.8159 9.8183 10.4740 10.5146 k = 0.0000 0.0000 0.7530 ( 5522 PWs) bands (ev): -5.7192 -5.7192 -5.2671 -5.2666 -4.1774 -4.1701 -4.0450 -4.0367 -1.3552 -1.3386 -1.0261 -0.9992 -0.3946 -0.3898 -0.3446 -0.3419 -0.2808 -0.2511 -0.2473 -0.1853 -0.0809 -0.0577 -0.0573 -0.0100 0.0324 0.0355 0.0416 0.0489 0.0887 0.1116 0.1298 0.1452 1.1476 1.1632 1.7568 1.7580 2.3778 2.4065 3.0324 3.0752 4.4198 4.4324 4.7635 4.7639 5.0905 5.0906 5.1753 5.1940 5.6869 5.6883 5.8753 5.8769 8.0199 8.0254 8.0855 8.0873 9.4178 9.4325 9.7730 9.7765 10.4808 10.5212 k = 0.0000 0.0000 0.7739 ( 5518 PWs) bands (ev): -5.6734 -5.6733 -5.3117 -5.3112 -4.1717 -4.1643 -4.0641 -4.0559 -1.3157 -1.2976 -1.0528 -1.0264 -0.3943 -0.3905 -0.3434 -0.3414 -0.2793 -0.2525 -0.2473 -0.1931 -0.0791 -0.0599 -0.0529 -0.0121 0.0326 0.0366 0.0408 0.0478 0.0874 0.1048 0.1255 0.1380 1.1819 1.1968 1.6728 1.6739 2.4352 2.4647 2.9643 3.0050 4.4639 4.4755 4.7437 4.7454 5.1709 5.1732 5.2499 5.2669 5.7135 5.7165 5.8606 5.8630 7.9569 7.9625 8.0183 8.0198 9.4511 9.4653 9.7325 9.7374 10.4861 10.5155 k = 0.0000 0.0000 0.7948 ( 5522 PWs) bands (ev): -5.6276 -5.6275 -5.3563 -5.3559 -4.1640 -4.1564 -4.0824 -4.0742 -1.2777 -1.2581 -1.0808 -1.0549 -0.3939 -0.3911 -0.3424 -0.3410 -0.2775 -0.2573 -0.2428 -0.2011 -0.0771 -0.0625 -0.0475 -0.0152 0.0329 0.0379 0.0397 0.0468 0.0866 0.0989 0.1224 0.1321 1.2227 1.2366 1.5924 1.5957 2.4953 2.5257 2.8951 2.9339 4.5066 4.5171 4.7191 4.7225 5.2417 5.2465 5.3082 5.3238 5.7378 5.7423 5.8458 5.8493 7.9061 7.9115 7.9580 7.9595 9.4848 9.4983 9.6940 9.7004 10.4902 10.5103 k = 0.0000 0.0000 0.8158 ( 5528 PWs) bands (ev): -5.5820 -5.5819 -5.4011 -5.4008 -4.1544 -4.1468 -4.0995 -4.0915 -1.2412 -1.2203 -1.1101 -1.0849 -0.3935 -0.3916 -0.3416 -0.3407 -0.2752 -0.2617 -0.2374 -0.2092 -0.0749 -0.0650 -0.0417 -0.0192 0.0335 0.0384 0.0394 0.0456 0.0864 0.0942 0.1206 0.1274 1.2698 1.2825 1.5170 1.5224 2.5578 2.5893 2.8257 2.8628 4.5477 4.5571 4.6907 4.6955 5.2996 5.3069 5.3476 5.3621 5.7599 5.7657 5.8308 5.8354 7.8706 7.8754 7.9083 7.9102 9.5186 9.5314 9.6572 9.6651 10.4933 10.5059 k = 0.0000 0.0000 0.8367 ( 5514 PWs) bands (ev): -5.5365 -5.5363 -5.4461 -5.4458 -4.1431 -4.1353 -4.1155 -4.1075 -1.2062 -1.1840 -1.1407 -1.1164 -0.3930 -0.3921 -0.3410 -0.3406 -0.2724 -0.2657 -0.2313 -0.2170 -0.0726 -0.0676 -0.0357 -0.0241 0.0343 0.0369 0.0410 0.0442 0.0870 0.0908 0.1203 0.1239 1.3230 1.3341 1.4468 1.4543 2.6225 2.6551 2.7568 2.7923 4.5870 4.5954 4.6589 4.6650 5.3413 5.3509 5.3665 5.3797 5.7800 5.7864 5.8151 5.8207 7.8526 7.8567 7.8725 7.8750 9.5526 9.5644 9.6217 9.6309 10.4961 10.5022 k = 0.0000 0.0000 0.8576 ( 5508 PWs) bands (ev): -5.4912 -5.4912 -5.4910 -5.4910 -4.1301 -4.1301 -4.1222 -4.1222 -1.1727 -1.1727 -1.1494 -1.1494 -0.3926 -0.3926 -0.3407 -0.3407 -0.2693 -0.2693 -0.2244 -0.2244 -0.0701 -0.0701 -0.0297 -0.0297 0.0355 0.0355 0.0427 0.0427 0.0884 0.0884 0.1215 0.1215 1.3820 1.3820 1.3915 1.3915 2.6889 2.6889 2.7229 2.7229 4.6242 4.6242 4.6315 4.6315 5.3642 5.3642 5.3758 5.3758 5.7983 5.7983 5.8046 5.8046 7.8534 7.8534 7.8566 7.8566 9.5869 9.5869 9.5975 9.5975 10.4990 10.4990 k = 0.0000 0.0000 0.8576 ( 5508 PWs) bands (ev): -5.4912 -5.4912 -5.4910 -5.4910 -4.1301 -4.1301 -4.1222 -4.1222 -1.1727 -1.1727 -1.1494 -1.1494 -0.3926 -0.3926 -0.3407 -0.3407 -0.2693 -0.2693 -0.2244 -0.2244 -0.0701 -0.0701 -0.0297 -0.0297 0.0355 0.0355 0.0427 0.0427 0.0884 0.0884 0.1215 0.1215 1.3820 1.3820 1.3915 1.3915 2.6889 2.6889 2.7229 2.7229 4.6242 4.6242 4.6315 4.6315 5.3642 5.3642 5.3758 5.3758 5.7983 5.7983 5.8046 5.8046 7.8534 7.8534 7.8566 7.8566 9.5869 9.5869 9.5975 9.5975 10.4990 10.4990 k =-0.0117 0.0163 0.8576 ( 5512 PWs) bands (ev): -5.4914 -5.4914 -5.4911 -5.4911 -4.1304 -4.1304 -4.1225 -4.1225 -1.1720 -1.1720 -1.1486 -1.1486 -0.3927 -0.3927 -0.3404 -0.3404 -0.2703 -0.2703 -0.2225 -0.2225 -0.0704 -0.0704 -0.0290 -0.0290 0.0321 0.0321 0.0462 0.0462 0.0888 0.0888 0.1226 0.1226 1.3824 1.3824 1.3919 1.3919 2.6894 2.6894 2.7235 2.7235 4.6202 4.6202 4.6279 4.6279 5.3633 5.3633 5.3749 5.3749 5.7943 5.7943 5.8008 5.8008 7.8568 7.8568 7.8602 7.8602 9.5944 9.5944 9.6050 9.6050 10.4967 10.4967 k =-0.0234 0.0326 0.8576 ( 5520 PWs) bands (ev): -5.4921 -5.4921 -5.4916 -5.4916 -4.1314 -4.1314 -4.1235 -4.1235 -1.1698 -1.1698 -1.1464 -1.1464 -0.3931 -0.3931 -0.3398 -0.3398 -0.2730 -0.2730 -0.2172 -0.2172 -0.0711 -0.0711 -0.0269 -0.0269 0.0271 0.0271 0.0517 0.0517 0.0905 0.0905 0.1260 0.1260 1.3834 1.3834 1.3932 1.3932 2.6909 2.6909 2.7250 2.7250 4.6081 4.6081 4.6173 4.6173 5.3607 5.3607 5.3725 5.3725 5.7825 5.7825 5.7894 5.7894 7.8670 7.8670 7.8709 7.8709 9.6165 9.6165 9.6274 9.6274 10.4897 10.4897 k =-0.0351 0.0489 0.8576 ( 5524 PWs) bands (ev): -5.4931 -5.4931 -5.4925 -5.4925 -4.1330 -4.1330 -4.1251 -4.1251 -1.1663 -1.1663 -1.1427 -1.1427 -0.3937 -0.3937 -0.3389 -0.3389 -0.2760 -0.2760 -0.2098 -0.2098 -0.0720 -0.0720 -0.0239 -0.0239 0.0225 0.0225 0.0566 0.0566 0.0941 0.0941 0.1316 0.1316 1.3852 1.3852 1.3954 1.3954 2.6934 2.6934 2.7276 2.7276 4.5886 4.5886 4.5996 4.5996 5.3564 5.3564 5.3684 5.3684 5.7633 5.7633 5.7709 5.7709 7.8840 7.8840 7.8886 7.8886 9.6523 9.6523 9.6635 9.6635 10.4774 10.4774 k =-0.0468 0.0652 0.8576 ( 5518 PWs) bands (ev): -5.4947 -5.4946 -5.4939 -5.4939 -4.1351 -4.1351 -4.1271 -4.1271 -1.1614 -1.1614 -1.1378 -1.1378 -0.3944 -0.3944 -0.3380 -0.3380 -0.2786 -0.2786 -0.2012 -0.2012 -0.0728 -0.0728 -0.0203 -0.0203 0.0187 0.0187 0.0600 0.0600 0.1004 0.1004 0.1396 0.1396 1.3878 1.3878 1.3985 1.3985 2.6969 2.6969 2.7312 2.7312 4.5620 4.5620 4.5751 4.5751 5.3504 5.3504 5.3627 5.3627 5.7375 5.7375 5.7461 5.7461 7.9075 7.9075 7.9128 7.9128 9.7003 9.7003 9.7118 9.7118 10.4589 10.4589 k =-0.0585 0.0815 0.8576 ( 5518 PWs) bands (ev): -5.4966 -5.4966 -5.4957 -5.4957 -4.1376 -4.1376 -4.1295 -4.1295 -1.1555 -1.1555 -1.1317 -1.1317 -0.3951 -0.3951 -0.3375 -0.3375 -0.2802 -0.2802 -0.1920 -0.1920 -0.0735 -0.0735 -0.0168 -0.0168 0.0160 0.0160 0.0619 0.0619 0.1095 0.1095 0.1498 0.1498 1.3912 1.3912 1.4025 1.4025 2.7012 2.7012 2.7358 2.7358 4.5290 4.5290 4.5443 4.5443 5.3426 5.3426 5.3555 5.3555 5.7059 5.7059 5.7157 5.7157 7.9372 7.9372 7.9432 7.9432 9.7584 9.7584 9.7698 9.7698 10.4336 10.4336 k =-0.0702 0.0979 0.8576 ( 5530 PWs) bands (ev): -5.4991 -5.4991 -5.4980 -5.4980 -4.1403 -4.1403 -4.1321 -4.1321 -1.1487 -1.1487 -1.1247 -1.1247 -0.3957 -0.3957 -0.3375 -0.3375 -0.2807 -0.2807 -0.1828 -0.1828 -0.0738 -0.0738 -0.0140 -0.0140 0.0149 0.0149 0.0627 0.0627 0.1212 0.1212 0.1625 0.1625 1.3955 1.3955 1.4076 1.4076 2.7065 2.7065 2.7413 2.7413 4.4902 4.4902 4.5078 4.5078 5.3330 5.3330 5.3466 5.3466 5.6695 5.6695 5.6808 5.6808 7.9727 7.9727 7.9794 7.9794 9.8236 9.8236 9.8346 9.8346 10.4011 10.4011 k =-0.0819 0.1142 0.8576 ( 5536 PWs) bands (ev): -5.5022 -5.5022 -5.5009 -5.5009 -4.1429 -4.1429 -4.1347 -4.1347 -1.1412 -1.1412 -1.1170 -1.1170 -0.3963 -0.3963 -0.3382 -0.3382 -0.2798 -0.2798 -0.1740 -0.1740 -0.0735 -0.0735 -0.0127 -0.0127 0.0157 0.0157 0.0628 0.0628 0.1353 0.1353 0.1777 0.1777 1.4009 1.4009 1.4136 1.4136 2.7126 2.7126 2.7477 2.7477 4.4464 4.4464 4.4661 4.4661 5.3215 5.3215 5.3361 5.3361 5.6294 5.6294 5.6425 5.6425 8.0134 8.0134 8.0207 8.0207 9.8918 9.8918 9.9017 9.9017 10.3622 10.3622 k =-0.0936 0.1305 0.8576 ( 5532 PWs) bands (ev): -5.5058 -5.5058 -5.5044 -5.5044 -4.1454 -4.1454 -4.1371 -4.1371 -1.1332 -1.1332 -1.1088 -1.1088 -0.3967 -0.3967 -0.3393 -0.3393 -0.2778 -0.2778 -0.1660 -0.1660 -0.0726 -0.0726 -0.0129 -0.0129 0.0182 0.0182 0.0627 0.0627 0.1516 0.1516 0.1953 0.1953 1.4074 1.4074 1.4209 1.4209 2.7195 2.7195 2.7549 2.7549 4.3984 4.3984 4.4202 4.4202 5.3081 5.3081 5.3241 5.3241 5.5867 5.5867 5.6020 5.6020 8.0588 8.0588 8.0666 8.0666 9.9577 9.9577 9.9653 9.9653 10.3188 10.3188 k =-0.1053 0.1468 0.8576 ( 5538 PWs) bands (ev): -5.5101 -5.5101 -5.5086 -5.5086 -4.1475 -4.1475 -4.1391 -4.1391 -1.1250 -1.1250 -1.1004 -1.1004 -0.3970 -0.3970 -0.3409 -0.3409 -0.2750 -0.2750 -0.1590 -0.1590 -0.0710 -0.0710 -0.0140 -0.0140 0.0217 0.0217 0.0624 0.0624 0.1699 0.1699 0.2152 0.2152 1.4152 1.4152 1.4295 1.4295 2.7271 2.7271 2.7628 2.7628 4.3471 4.3471 4.3708 4.3708 5.2926 5.2926 5.3104 5.3104 5.5424 5.5424 5.5602 5.5602 8.1080 8.1080 8.1163 8.1163 10.0125 10.0125 10.0164 10.0164 10.2758 10.2758 k =-0.1170 0.1631 0.8576 ( 5542 PWs) bands (ev): -5.5152 -5.5152 -5.5135 -5.5134 -4.1489 -4.1489 -4.1404 -4.1404 -1.1168 -1.1168 -1.0920 -1.0920 -0.3971 -0.3971 -0.3427 -0.3427 -0.2717 -0.2717 -0.1532 -0.1532 -0.0687 -0.0687 -0.0157 -0.0157 0.0255 0.0255 0.0622 0.0622 0.1901 0.1901 0.2369 0.2369 1.4246 1.4246 1.4396 1.4396 2.7354 2.7354 2.7714 2.7714 4.2934 4.2934 4.3189 4.3189 5.2747 5.2747 5.2948 5.2948 5.4976 5.4976 5.5184 5.5184 8.1603 8.1603 8.1689 8.1689 10.0360 10.0360 10.0471 10.0471 10.2428 10.2428 k =-0.1287 0.1794 0.8576 ( 5544 PWs) bands (ev): -5.5209 -5.5209 -5.5191 -5.5191 -4.1495 -4.1495 -4.1409 -4.1409 -1.1087 -1.1087 -1.0838 -1.0838 -0.3971 -0.3971 -0.3447 -0.3447 -0.2680 -0.2680 -0.1486 -0.1486 -0.0658 -0.0658 -0.0175 -0.0175 0.0291 0.0291 0.0621 0.0621 0.2120 0.2120 0.2603 0.2603 1.4356 1.4356 1.4514 1.4514 2.7441 2.7441 2.7806 2.7806 4.2382 4.2382 4.2653 4.2653 5.2543 5.2543 5.2772 5.2772 5.4535 5.4535 5.4776 5.4776 8.2149 8.2149 8.2236 8.2236 10.0164 10.0164 10.0404 10.0404 10.2283 10.2283 k =-0.1287 0.1794 0.8576 ( 5544 PWs) bands (ev): -5.5209 -5.5209 -5.5191 -5.5191 -4.1495 -4.1495 -4.1409 -4.1409 -1.1087 -1.1087 -1.0838 -1.0838 -0.3971 -0.3971 -0.3447 -0.3447 -0.2680 -0.2680 -0.1486 -0.1486 -0.0658 -0.0658 -0.0175 -0.0175 0.0291 0.0291 0.0621 0.0621 0.2120 0.2120 0.2603 0.2603 1.4356 1.4356 1.4514 1.4514 2.7441 2.7441 2.7806 2.7806 4.2382 4.2382 4.2653 4.2653 5.2543 5.2543 5.2772 5.2772 5.4535 5.4535 5.4776 5.4776 8.2149 8.2149 8.2236 8.2236 10.0164 10.0164 10.0404 10.0404 10.2283 10.2283 k =-0.1372 0.1912 0.8431 ( 5536 PWs) bands (ev): -5.5501 -5.5490 -5.5004 -5.4992 -4.1635 -4.1564 -4.1331 -4.1256 -1.1228 -1.1026 -1.0799 -1.0587 -0.3975 -0.3964 -0.3489 -0.3430 -0.2687 -0.2621 -0.1482 -0.1439 -0.0638 -0.0628 -0.0204 -0.0172 0.0302 0.0327 0.0604 0.0640 0.2271 0.2283 0.2789 0.2792 1.4152 1.4315 1.4776 1.4935 2.7092 2.7449 2.7926 2.8302 4.1766 4.1990 4.2241 4.2458 5.2112 5.2189 5.2707 5.2801 5.3957 5.4035 5.4728 5.4786 8.2534 8.2616 8.2628 8.2704 9.9581 9.9720 10.0220 10.0317 10.2242 10.2298 k =-0.1456 0.2029 0.8286 ( 5539 PWs) bands (ev): -5.5787 -5.5776 -5.4822 -5.4809 -4.1777 -4.1708 -4.1152 -4.1075 -1.1381 -1.1179 -1.0568 -1.0347 -0.3979 -0.3958 -0.3529 -0.3412 -0.2696 -0.2564 -0.1483 -0.1397 -0.0621 -0.0596 -0.0230 -0.0168 0.0309 0.0357 0.0594 0.0659 0.2384 0.2435 0.3007 0.3029 1.4021 1.4188 1.5204 1.5366 2.6761 2.7113 2.8399 2.8788 4.1137 4.1385 4.2018 4.2252 5.1528 5.1597 5.2594 5.2671 5.3429 5.3537 5.4849 5.4911 8.2975 8.3065 8.3134 8.3214 9.8762 9.8962 10.0132 10.0245 10.2164 10.2325 k =-0.1541 0.2147 0.8142 ( 5529 PWs) bands (ev): -5.6063 -5.6053 -5.4660 -5.4646 -4.1917 -4.1850 -4.0950 -4.0871 -1.1540 -1.1345 -1.0345 -1.0123 -0.3983 -0.3950 -0.3566 -0.3392 -0.2705 -0.2510 -0.1489 -0.1359 -0.0605 -0.0563 -0.0253 -0.0162 0.0312 0.0380 0.0591 0.0678 0.2455 0.2560 0.3269 0.3314 1.3968 1.4136 1.5640 1.5804 2.6451 2.6798 2.8853 2.9255 4.0511 4.0770 4.1789 4.2026 5.0868 5.0926 5.2099 5.2121 5.3250 5.3375 5.4997 5.5064 8.3453 8.3540 8.3678 8.3755 9.7848 9.8079 10.0069 10.0186 10.1980 10.2168 k =-0.1625 0.2264 0.7997 ( 5527 PWs) bands (ev): -5.6328 -5.6318 -5.4518 -5.4502 -4.2054 -4.1990 -4.0726 -4.0645 -1.1705 -1.1518 -1.0136 -0.9917 -0.3986 -0.3944 -0.3600 -0.3369 -0.2717 -0.2460 -0.1497 -0.1327 -0.0591 -0.0530 -0.0275 -0.0154 0.0311 0.0398 0.0594 0.0696 0.2489 0.2648 0.3579 0.3640 1.3995 1.4163 1.6081 1.6247 2.6162 2.6504 2.9281 2.9696 3.9898 4.0165 4.1543 4.1780 5.0162 5.0209 5.1354 5.1370 5.3255 5.3392 5.5154 5.5226 8.3942 8.4019 8.4244 8.4319 9.6900 9.7145 10.0033 10.0156 10.1673 10.1859 k =-0.1709 0.2382 0.7852 ( 5527 PWs) bands (ev): -5.6582 -5.6572 -5.4394 -5.4378 -4.2188 -4.2126 -4.0483 -4.0400 -1.1875 -1.1698 -0.9944 -0.9729 -0.3990 -0.3938 -0.3630 -0.3346 -0.2730 -0.2414 -0.1507 -0.1299 -0.0581 -0.0501 -0.0294 -0.0143 0.0306 0.0411 0.0603 0.0713 0.2489 0.2698 0.3933 0.4000 1.4101 1.4267 1.6524 1.6694 2.5895 2.6233 2.9674 3.0102 3.9306 3.9578 4.1277 4.1512 4.9429 4.9465 5.0535 5.0560 5.3295 5.3442 5.5314 5.5390 8.4404 8.4465 8.4830 8.4904 9.5958 9.6210 10.0028 10.0166 10.1268 10.1462 k =-0.1794 0.2500 0.7708 ( 5525 PWs) bands (ev): -5.6824 -5.6814 -5.4289 -5.4271 -4.2318 -4.2259 -4.0223 -4.0137 -1.2050 -1.1883 -0.9767 -0.9559 -0.3994 -0.3934 -0.3654 -0.3321 -0.2745 -0.2373 -0.1518 -0.1275 -0.0574 -0.0475 -0.0311 -0.0130 0.0300 0.0420 0.0616 0.0729 0.2461 0.2713 0.4325 0.4390 1.4285 1.4447 1.6969 1.7140 2.5652 2.5986 3.0022 3.0461 3.8744 3.9018 4.0991 4.1221 4.8682 4.8707 4.9702 4.9730 5.3340 5.3495 5.5473 5.5555 8.4801 8.4841 8.5433 8.5507 9.5058 9.5311 10.0046 10.0225 10.0796 10.1021 k =-0.1878 0.2617 0.7563 ( 5533 PWs) bands (ev): -5.7054 -5.7044 -5.4201 -5.4182 -4.2443 -4.2387 -3.9948 -3.9861 -1.2230 -1.2072 -0.9605 -0.9404 -0.3997 -0.3931 -0.3674 -0.3295 -0.2761 -0.2338 -0.1529 -0.1257 -0.0570 -0.0455 -0.0325 -0.0116 0.0292 0.0425 0.0633 0.0745 0.2408 0.2698 0.4746 0.4806 1.4543 1.4700 1.7412 1.7585 2.5432 2.5762 3.0315 3.0762 3.8216 3.8490 4.0683 4.0905 4.7931 4.7945 4.8878 4.8908 5.3380 5.3543 5.5632 5.5718 8.5090 8.5110 8.6047 8.6120 9.4235 9.4485 10.0017 10.0253 10.0378 10.0636 k =-0.1962 0.2735 0.7418 ( 5534 PWs) bands (ev): -5.7270 -5.7262 -5.4127 -5.4108 -4.2563 -4.2510 -3.9662 -3.9573 -1.2413 -1.2266 -0.9459 -0.9267 -0.4001 -0.3931 -0.3689 -0.3269 -0.2777 -0.2307 -0.1539 -0.1242 -0.0572 -0.0440 -0.0335 -0.0101 0.0286 0.0428 0.0651 0.0760 0.2335 0.2657 0.5191 0.5242 1.4868 1.5019 1.7851 1.8025 2.5237 2.5563 3.0543 3.0995 3.7728 3.7997 4.0350 4.0561 4.7184 4.7190 4.8088 4.8119 5.3413 5.3583 5.5790 5.5879 8.5235 8.5238 8.6660 8.6731 9.3521 9.3765 9.9686 9.9780 10.0540 10.0564 k =-0.2047 0.2852 0.7273 ( 5534 PWs) bands (ev): -5.7474 -5.7466 -5.4068 -5.4048 -4.2677 -4.2627 -3.9369 -3.9278 -1.2599 -1.2461 -0.9326 -0.9144 -0.4004 -0.3931 -0.3699 -0.3243 -0.2793 -0.2281 -0.1548 -0.1231 -0.0580 -0.0431 -0.0339 -0.0085 0.0281 0.0429 0.0672 0.0774 0.2248 0.2595 0.5653 0.5694 1.5252 1.5397 1.8285 1.8459 2.5068 2.5389 3.0700 3.1151 3.7279 3.7541 3.9989 4.0187 4.6438 4.6459 4.7353 4.7384 5.3439 5.3616 5.5946 5.6038 8.5191 8.5213 8.7265 8.7331 9.2943 9.3175 9.9162 9.9293 10.0728 10.0815 k =-0.2131 0.2970 0.7129 ( 5529 PWs) bands (ev): -5.7664 -5.7656 -5.4021 -5.4000 -4.2785 -4.2738 -3.9073 -3.8979 -1.2786 -1.2658 -0.9206 -0.9035 -0.4007 -0.3933 -0.3706 -0.3217 -0.2808 -0.2261 -0.1556 -0.1225 -0.0596 -0.0425 -0.0339 -0.0067 0.0279 0.0428 0.0692 0.0790 0.2151 0.2517 0.6123 0.6159 1.5687 1.5825 1.8710 1.8883 2.4924 2.5240 3.0782 3.1226 3.6861 3.7115 3.9596 3.9780 4.5713 4.5756 4.6690 4.6725 5.3459 5.3641 5.6100 5.6195 8.4969 8.5008 8.7849 8.7910 9.2507 9.2725 9.8635 9.8797 10.1017 10.1158 k =-0.2216 0.3087 0.6984 ( 5522 PWs) bands (ev): -5.7840 -5.7832 -5.3984 -5.3963 -4.2887 -4.2842 -3.8778 -3.8682 -1.2972 -1.2853 -0.9099 -0.8940 -0.4010 -0.3934 -0.3711 -0.3192 -0.2822 -0.2245 -0.1563 -0.1222 -0.0619 -0.0420 -0.0337 -0.0049 0.0278 0.0425 0.0712 0.0806 0.2050 0.2428 0.6595 0.6630 1.6164 1.6295 1.9126 1.9296 2.4806 2.5116 3.0794 3.1224 3.6461 3.6708 3.9167 3.9338 4.5028 4.5100 4.6111 4.6152 5.3471 5.3658 5.6253 5.6350 8.4587 8.4640 8.8404 8.8460 9.2198 9.2399 9.8133 9.8322 10.1393 10.1578 k =-0.2300 0.3205 0.6839 ( 5518 PWs) bands (ev): -5.8002 -5.7994 -5.3957 -5.3935 -4.2981 -4.2938 -3.8488 -3.8389 -1.3155 -1.3045 -0.9003 -0.8857 -0.4013 -0.3935 -0.3714 -0.3169 -0.2834 -0.2232 -0.1568 -0.1223 -0.0649 -0.0415 -0.0334 -0.0029 0.0280 0.0421 0.0730 0.0825 0.1948 0.2333 0.7061 0.7103 1.6672 1.6795 1.9530 1.9694 2.4715 2.5016 3.0744 3.1158 3.6060 3.6303 3.8698 3.8863 4.4402 4.4507 4.5622 4.5670 5.3478 5.3669 5.6403 5.6502 8.4084 8.4147 8.8921 8.8972 9.1981 9.2167 9.7668 9.7883 10.1846 10.2071 k =-0.2384 0.3323 0.6695 ( 5513 PWs) bands (ev): -5.8149 -5.8142 -5.3937 -5.3915 -4.3067 -4.3027 -3.8207 -3.8107 -1.3333 -1.3231 -0.8918 -0.8785 -0.4016 -0.3936 -0.3717 -0.3148 -0.2843 -0.2223 -0.1572 -0.1227 -0.0684 -0.0408 -0.0331 -0.0008 0.0283 0.0415 0.0746 0.0846 0.1849 0.2235 0.7516 0.7568 1.7199 1.7314 1.9920 2.0074 2.4650 2.4942 3.0651 3.1044 3.5640 3.5884 3.8189 3.8358 4.3854 4.3994 4.5222 4.5280 5.3480 5.3675 5.6551 5.6651 8.3507 8.3576 8.9392 8.9441 9.1822 9.1995 9.7249 9.7488 10.2368 10.2630 k =-0.2469 0.3440 0.6550 ( 5515 PWs) bands (ev): -5.8281 -5.8274 -5.3923 -5.3901 -4.3145 -4.3108 -3.7941 -3.7838 -1.3503 -1.3409 -0.8844 -0.8724 -0.4018 -0.3934 -0.3721 -0.3129 -0.2849 -0.2218 -0.1575 -0.1235 -0.0722 -0.0401 -0.0330 0.0015 0.0287 0.0407 0.0758 0.0870 0.1755 0.2137 0.7952 0.8016 1.7733 1.7839 2.0291 2.0434 2.4613 2.4893 3.0533 3.0904 3.5188 3.5437 3.7648 3.7830 4.3394 4.3565 4.4910 4.4976 5.3478 5.3676 5.6693 5.6794 8.2900 8.2970 8.9811 8.9861 9.1694 9.1857 9.6880 9.7142 10.2947 10.3241 k =-0.2553 0.3558 0.6405 ( 5517 PWs) bands (ev): -5.8398 -5.8392 -5.3913 -5.3891 -4.3215 -4.3180 -3.7692 -3.7588 -1.3662 -1.3575 -0.8778 -0.8673 -0.4021 -0.3932 -0.3726 -0.3113 -0.2852 -0.2214 -0.1577 -0.1247 -0.0760 -0.0393 -0.0329 0.0040 0.0292 0.0398 0.0768 0.0897 0.1669 0.2042 0.8363 0.8440 1.8259 1.8358 2.0642 2.0770 2.4603 2.4868 3.0412 3.0759 3.4700 3.4951 3.7095 3.7290 4.3021 4.3217 4.4682 4.4753 5.3472 5.3673 5.6829 5.6931 8.2297 8.2366 9.0171 9.0226 9.1584 9.1740 9.6563 9.6846 10.3568 10.3889 k =-0.2637 0.3675 0.6260 ( 5514 PWs) bands (ev): -5.8500 -5.8494 -5.3908 -5.3885 -4.3276 -4.3243 -3.7467 -3.7362 -1.3808 -1.3727 -0.8722 -0.8631 -0.4023 -0.3927 -0.3732 -0.3099 -0.2852 -0.2212 -0.1578 -0.1261 -0.0796 -0.0384 -0.0330 0.0066 0.0297 0.0387 0.0776 0.0925 0.1591 0.1953 0.8740 0.8830 1.8763 1.8853 2.0967 2.1076 2.4620 2.4867 3.0308 3.0631 3.4178 3.4426 3.6555 3.6755 4.2727 4.2939 4.4527 4.4598 5.3465 5.3668 5.6956 5.7058 8.1727 8.1791 9.0462 9.0526 9.1495 9.1644 9.6297 9.6598 10.4211 10.4558 k =-0.2722 0.3793 0.6116 ( 5516 PWs) bands (ev): -5.8587 -5.8581 -5.3904 -5.3882 -4.3328 -4.3297 -3.7269 -3.7162 -1.3937 -1.3861 -0.8674 -0.8597 -0.4025 -0.3922 -0.3739 -0.3088 -0.2850 -0.2211 -0.1578 -0.1277 -0.0828 -0.0377 -0.0331 0.0093 0.0302 0.0374 0.0781 0.0954 0.1524 0.1872 0.9077 0.9179 1.9227 1.9310 2.1258 2.1349 2.4663 2.4888 3.0243 3.0538 3.3632 3.3866 3.6055 3.6249 4.2500 4.2719 4.4432 4.4500 5.3456 5.3662 5.7071 5.7174 8.1212 8.1270 9.0675 9.0743 9.1443 9.1582 9.6079 9.6396 10.4856 10.5227 k =-0.2806 0.3910 0.5971 ( 5510 PWs) bands (ev): -5.8658 -5.8652 -5.3903 -5.3881 -4.3371 -4.3342 -3.7101 -3.6993 -1.4048 -1.3976 -0.8634 -0.8572 -0.4027 -0.3916 -0.3747 -0.3079 -0.2847 -0.2211 -0.1578 -0.1294 -0.0854 -0.0369 -0.0332 0.0121 0.0306 0.0360 0.0785 0.0981 0.1468 0.1801 0.9365 0.9478 1.9635 1.9712 2.1508 2.1581 2.4728 2.4926 3.0237 3.0498 3.3074 3.3286 3.5621 3.5794 4.2330 4.2548 4.4383 4.4443 5.3448 5.3655 5.7171 5.7274 8.0769 8.0818 9.0797 9.0853 9.1457 9.1570 9.5907 9.6236 10.5480 10.5874 k =-0.2891 0.4028 0.5826 ( 5516 PWs) bands (ev): -5.8713 -5.8708 -5.3903 -5.3880 -4.3405 -4.3377 -3.6967 -3.6857 -1.4136 -1.4068 -0.8602 -0.8554 -0.4029 -0.3909 -0.3755 -0.3073 -0.2843 -0.2212 -0.1578 -0.1310 -0.0875 -0.0363 -0.0334 0.0148 0.0310 0.0345 0.0788 0.1006 0.1424 0.1742 0.9597 0.9719 1.9971 2.0043 2.1705 2.1770 2.4810 2.4972 3.0307 3.0526 3.2523 3.2707 3.5272 3.5411 4.2206 4.2419 4.4364 4.4414 5.3440 5.3648 5.7253 5.7357 8.0412 8.0451 9.0839 9.0870 9.1529 9.1604 9.5777 9.6115 10.6054 10.6474 k =-0.2975 0.4146 0.5681 ( 5516 PWs) bands (ev): -5.8753 -5.8748 -5.3903 -5.3880 -4.3429 -4.3402 -3.6869 -3.6759 -1.4201 -1.4135 -0.8578 -0.8543 -0.4030 -0.3904 -0.3762 -0.3068 -0.2839 -0.2212 -0.1577 -0.1324 -0.0890 -0.0358 -0.0337 0.0172 0.0312 0.0330 0.0790 0.1026 0.1393 0.1696 0.9768 0.9897 2.0222 2.0291 2.1845 2.1909 2.4895 2.5014 3.0467 3.0635 3.1997 3.2160 3.5020 3.5117 4.2122 4.2329 4.4361 4.4402 5.3434 5.3643 5.7314 5.7418 8.0151 8.0179 9.0836 9.0849 9.1610 9.1654 9.5686 9.6031 10.6540 10.6993 k =-0.3059 0.4263 0.5537 ( 5514 PWs) bands (ev): -5.8777 -5.8771 -5.3903 -5.3880 -4.3443 -4.3417 -3.6809 -3.6699 -1.4241 -1.4176 -0.8561 -0.8539 -0.4030 -0.3900 -0.3767 -0.3065 -0.2837 -0.2213 -0.1577 -0.1332 -0.0899 -0.0354 -0.0339 0.0191 0.0310 0.0321 0.0792 0.1039 0.1374 0.1668 0.9873 1.0006 2.0377 2.0445 2.1927 2.1993 2.4967 2.5035 3.0720 3.0820 3.1513 3.1691 3.4876 3.4926 4.2073 4.2276 4.4365 4.4398 5.3430 5.3639 5.7352 5.7456 7.9993 8.0011 9.0822 9.0826 9.1670 9.1691 9.5632 9.5980 10.6883 10.7378 k =-0.3144 0.4381 0.5392 ( 5511 PWs) bands (ev): -5.8785 -5.8779 -5.3903 -5.3880 -4.3448 -4.3422 -3.6789 -3.6679 -1.4254 -1.4190 -0.8554 -0.8538 -0.4030 -0.3898 -0.3769 -0.3064 -0.2836 -0.2213 -0.1576 -0.1335 -0.0902 -0.0352 -0.0340 0.0198 0.0307 0.0319 0.0792 0.1044 0.1368 0.1658 0.9908 1.0042 2.0430 2.0497 2.1953 2.2022 2.5004 2.5034 3.0953 3.1034 3.1138 3.1443 3.4842 3.4847 4.2057 4.2258 4.4367 4.4397 5.3429 5.3638 5.7365 5.7469 7.9941 7.9953 9.0816 9.0817 9.1693 9.1703 9.5614 9.5964 10.7012 10.7530 k =-0.3144 0.4381 0.5392 ( 5511 PWs) bands (ev): -5.8785 -5.8779 -5.3903 -5.3880 -4.3448 -4.3422 -3.6789 -3.6679 -1.4254 -1.4190 -0.8554 -0.8538 -0.4030 -0.3898 -0.3769 -0.3064 -0.2836 -0.2213 -0.1576 -0.1335 -0.0902 -0.0352 -0.0340 0.0198 0.0307 0.0319 0.0792 0.1044 0.1368 0.1658 0.9908 1.0042 2.0430 2.0497 2.1953 2.2022 2.5004 2.5034 3.0953 3.1034 3.1138 3.1443 3.4842 3.4847 4.2057 4.2258 4.4367 4.4397 5.3429 5.3638 5.7365 5.7469 7.9941 7.9953 9.0816 9.0817 9.1693 9.1703 9.5614 9.5964 10.7012 10.7530 k =-0.3059 0.4262 0.5246 ( 5509 PWs) bands (ev): -5.8986 -5.8981 -5.3512 -5.3488 -4.3558 -4.3531 -3.6776 -3.6663 -1.4539 -1.4485 -0.8444 -0.8427 -0.4048 -0.3919 -0.3771 -0.3121 -0.2797 -0.2197 -0.1573 -0.1334 -0.0894 -0.0394 -0.0329 0.0216 0.0297 0.0316 0.0818 0.1065 0.1419 0.1669 0.9977 1.0117 2.0263 2.0331 2.2516 2.2568 2.4747 2.4772 3.0570 3.0768 3.0911 3.1308 3.4137 3.4141 4.2157 4.2365 4.4475 4.4497 5.3589 5.3787 5.7517 5.7612 8.0204 8.0219 9.1065 9.1068 9.1816 9.1828 9.6375 9.6722 10.7843 10.8317 k =-0.2974 0.4144 0.5101 ( 5509 PWs) bands (ev): -5.9213 -5.9209 -5.3106 -5.3081 -4.3624 -4.3595 -3.6765 -3.6649 -1.4843 -1.4800 -0.8339 -0.8320 -0.4067 -0.3937 -0.3769 -0.3179 -0.2762 -0.2180 -0.1573 -0.1338 -0.0891 -0.0427 -0.0316 0.0224 0.0280 0.0326 0.0842 0.1098 0.1468 0.1678 0.9955 1.0094 2.0101 2.0168 2.3200 2.3239 2.4510 2.4531 3.0219 3.0431 3.0743 3.1123 3.3443 3.3446 4.2241 4.2451 4.4695 4.4714 5.3694 5.3880 5.7627 5.7712 8.0467 8.0486 9.1272 9.1273 9.1865 9.1873 9.7090 9.7434 10.8766 10.9203 k =-0.2889 0.4026 0.4955 ( 5515 PWs) bands (ev): -5.9465 -5.9461 -5.2686 -5.2660 -4.3647 -4.3616 -3.6755 -3.6636 -1.5168 -1.5134 -0.8237 -0.8217 -0.4086 -0.3953 -0.3762 -0.3236 -0.2734 -0.2161 -0.1573 -0.1347 -0.0894 -0.0449 -0.0301 0.0219 0.0258 0.0351 0.0858 0.1145 0.1515 0.1686 0.9855 0.9988 1.9939 2.0005 2.3988 2.4015 2.4300 2.4315 2.9901 3.0128 3.0531 3.0893 3.2765 3.2765 4.2323 4.2534 4.5009 4.5023 5.3742 5.3913 5.7694 5.7769 8.0731 8.0754 9.1435 9.1450 9.1865 9.1872 9.7765 9.8107 10.9760 11.0169 k =-0.2804 0.3907 0.4809 ( 5517 PWs) bands (ev): -5.9738 -5.9735 -5.2252 -5.2226 -4.3628 -4.3594 -3.6746 -3.6625 -1.5512 -1.5487 -0.8139 -0.8117 -0.4105 -0.3967 -0.3752 -0.3290 -0.2713 -0.2139 -0.1574 -0.1359 -0.0904 -0.0459 -0.0285 0.0206 0.0231 0.0387 0.0868 0.1202 0.1560 0.1693 0.9693 0.9815 1.9775 1.9839 2.4112 2.4126 2.4864 2.4887 2.9620 2.9862 3.0280 3.0624 3.2104 3.2107 4.2414 4.2625 4.5394 4.5404 5.3729 5.3885 5.7717 5.7781 8.0995 8.1021 9.1553 9.1606 9.1835 9.1882 9.8401 9.8743 11.0781 11.1159 k =-0.2719 0.3789 0.4663 ( 5511 PWs) bands (ev): -6.0032 -6.0029 -5.1806 -5.1779 -4.3568 -4.3533 -3.6739 -3.6615 -1.5874 -1.5858 -0.8044 -0.8018 -0.4123 -0.3977 -0.3739 -0.3340 -0.2700 -0.2112 -0.1574 -0.1373 -0.0919 -0.0458 -0.0269 0.0190 0.0201 0.0429 0.0871 0.1265 0.1604 0.1698 0.9481 0.9587 1.9605 1.9666 2.3962 2.3972 2.5798 2.5817 2.9378 2.9633 2.9998 3.0321 3.1470 3.1478 4.2519 4.2731 4.5837 4.5841 5.3652 5.3791 5.7699 5.7752 8.1258 8.1289 9.1611 9.1717 9.1844 9.1945 9.9000 9.9343 11.1394 11.1463 k =-0.2634 0.3670 0.4518 ( 5507 PWs) bands (ev): -6.0343 -6.0341 -5.1347 -5.1319 -4.3472 -4.3435 -3.6733 -3.6608 -1.6253 -1.6246 -0.7950 -0.7920 -0.4141 -0.3984 -0.3724 -0.3383 -0.2695 -0.2083 -0.1574 -0.1391 -0.0938 -0.0450 -0.0253 0.0168 0.0171 0.0474 0.0871 0.1329 0.1647 0.1700 0.9231 0.9318 1.9428 1.9484 2.3847 2.3853 2.6761 2.6780 2.9182 2.9441 2.9691 2.9994 3.0882 3.0899 4.2635 4.2851 4.6322 4.6327 5.3509 5.3631 5.7644 5.7686 8.1522 8.1558 9.1631 9.1726 9.1984 9.2073 9.9557 9.9904 11.1362 11.1405 k =-0.2549 0.3552 0.4372 ( 5507 PWs) bands (ev): -6.0668 -6.0667 -5.0876 -5.0847 -4.3341 -4.3302 -3.6729 -3.6602 -1.6650 -1.6649 -0.7857 -0.7823 -0.4157 -0.3989 -0.3710 -0.3419 -0.2698 -0.2051 -0.1574 -0.1410 -0.0958 -0.0436 -0.0237 0.0133 0.0150 0.0521 0.0867 0.1390 0.1693 0.1700 0.8953 0.9018 1.9242 1.9293 2.3765 2.3768 2.7663 2.7703 2.9059 2.9290 2.9367 2.9654 3.0389 3.0427 4.2757 4.2979 4.6841 4.6855 5.3302 5.3406 5.7558 5.7589 8.1789 8.1831 9.1656 9.1733 9.2177 9.2250 10.0064 10.0417 11.0992 11.1036 k =-0.2464 0.3434 0.4226 ( 5511 PWs) bands (ev): -6.1006 -6.1004 -5.0394 -5.0364 -4.3178 -4.3137 -3.6726 -3.6599 -1.7067 -1.7061 -0.7765 -0.7725 -0.4172 -0.3990 -0.3698 -0.3443 -0.2707 -0.2017 -0.1574 -0.1431 -0.0977 -0.0420 -0.0222 0.0096 0.0128 0.0569 0.0860 0.1442 0.1697 0.1741 0.8654 0.8694 1.9049 1.9093 2.3713 2.3714 2.8203 2.8332 2.9024 2.9093 2.9178 2.9336 3.0213 3.0282 4.2876 4.3106 4.7392 4.7418 5.3030 5.3116 5.7450 5.7469 8.2062 8.2110 9.1711 9.1775 9.2406 9.2467 10.0510 10.0873 11.0335 11.0389 k =-0.2379 0.3315 0.4080 ( 5519 PWs) bands (ev): -6.1352 -6.1350 -4.9901 -4.9871 -4.2987 -4.2945 -3.6726 -3.6597 -1.7499 -1.7487 -0.7673 -0.7626 -0.4186 -0.3988 -0.3691 -0.3454 -0.2723 -0.1984 -0.1573 -0.1452 -0.0992 -0.0402 -0.0208 0.0058 0.0105 0.0617 0.0852 0.1484 0.1691 0.1794 0.8340 0.8354 1.8849 1.8887 2.3684 2.3686 2.8154 2.8294 2.8710 2.9018 2.9027 2.9124 3.0794 3.0844 4.2984 4.3223 4.7971 4.8009 5.2697 5.2764 5.7329 5.7338 8.2345 8.2399 9.1809 9.1863 9.2670 9.2722 10.0876 10.1253 10.9464 10.9529 k =-0.2294 0.3197 0.3935 ( 5503 PWs) bands (ev): -6.1703 -6.1703 -4.9398 -4.9367 -4.2771 -4.2727 -3.6727 -3.6598 -1.7942 -1.7926 -0.7580 -0.7525 -0.4196 -0.3982 -0.3691 -0.3449 -0.2742 -0.1951 -0.1572 -0.1474 -0.1004 -0.0384 -0.0195 0.0022 0.0082 0.0665 0.0842 0.1515 0.1682 0.1851 0.8001 0.8017 1.8646 1.8676 2.3671 2.3676 2.7814 2.7896 2.8423 2.8731 2.8891 2.9064 3.1810 3.1840 4.3068 4.3318 4.8574 4.8627 5.2307 5.2356 5.7207 5.7210 8.2641 8.2701 9.1953 9.1999 9.2970 9.3015 10.1138 10.1534 10.8460 10.8530 k =-0.2209 0.3078 0.3789 ( 5495 PWs) bands (ev): -6.2059 -6.2058 -4.8886 -4.8854 -4.2533 -4.2487 -3.6730 -3.6600 -1.8397 -1.8377 -0.7486 -0.7422 -0.4205 -0.3973 -0.3696 -0.3431 -0.2766 -0.1922 -0.1570 -0.1494 -0.1011 -0.0368 -0.0188 -0.0011 0.0058 0.0713 0.0831 0.1536 0.1671 0.1910 0.7640 0.7687 1.8443 1.8465 2.3662 2.3672 2.7365 2.7413 2.8162 2.8450 2.8819 2.9052 3.2949 3.2970 4.3118 4.3380 4.9200 4.9267 5.1867 5.1898 5.7091 5.7104 8.2953 8.3020 9.2145 9.2185 9.3303 9.3343 10.1259 10.1679 10.7405 10.7471 k =-0.2124 0.2960 0.3643 ( 5485 PWs) bands (ev): -6.2415 -6.2415 -4.8364 -4.8332 -4.2276 -4.2229 -3.6734 -3.6604 -1.8862 -1.8838 -0.7390 -0.7316 -0.4212 -0.3962 -0.3703 -0.3401 -0.2792 -0.1897 -0.1569 -0.1512 -0.1012 -0.0355 -0.0190 -0.0035 0.0035 0.0759 0.0818 0.1548 0.1656 0.1967 0.7274 0.7354 1.8242 1.8257 2.3647 2.3663 2.6886 2.6916 2.7935 2.8204 2.8806 2.9075 3.4135 3.4152 4.3126 4.3399 4.9846 4.9926 5.1386 5.1397 5.7003 5.7027 8.3284 8.3357 9.2382 9.2418 9.3662 9.3699 10.1186 10.1632 10.6387 10.6443 k =-0.2039 0.2842 0.3498 ( 5501 PWs) bands (ev): -6.2770 -6.2770 -4.7835 -4.7802 -4.2003 -4.1955 -3.6740 -3.6611 -1.9335 -1.9308 -0.7292 -0.7207 -0.4217 -0.3948 -0.3708 -0.3365 -0.2822 -0.1878 -0.1567 -0.1528 -0.1008 -0.0345 -0.0207 -0.0045 0.0013 0.0802 0.0804 0.1553 0.1639 0.2022 0.6905 0.7019 1.8047 1.8054 2.3612 2.3635 2.6406 2.6425 2.7755 2.8005 2.8837 2.9131 3.5341 3.5355 4.3084 4.3366 5.0510 5.0578 5.0865 5.0897 5.6954 5.6991 8.3633 8.3712 9.2658 9.2691 9.4040 9.4077 10.0847 10.1313 10.5502 10.5551 k =-0.1954 0.2723 0.3352 ( 5503 PWs) bands (ev): -6.3122 -6.3122 -4.7298 -4.7265 -4.1717 -4.1667 -3.6747 -3.6618 -1.9816 -1.9787 -0.7191 -0.7093 -0.4220 -0.3932 -0.3711 -0.3323 -0.2853 -0.1868 -0.1566 -0.1539 -0.0997 -0.0339 -0.0236 -0.0041 -0.0007 0.0789 0.0844 0.1553 0.1620 0.2073 0.6536 0.6686 1.7860 1.7860 2.3546 2.3580 2.5939 2.5950 2.7632 2.7863 2.8904 2.9215 3.6552 3.6564 4.2986 4.3276 5.0315 5.0315 5.1189 5.1320 5.6957 5.7007 8.4001 8.4085 9.2964 9.2997 9.4427 9.4465 10.0196 10.0660 10.4819 10.4880 k =-0.1869 0.2605 0.3206 ( 5507 PWs) bands (ev): -6.3469 -6.3468 -4.6755 -4.6722 -4.1421 -4.1370 -3.6756 -3.6628 -2.0303 -2.0272 -0.7087 -0.6975 -0.4221 -0.3914 -0.3710 -0.3278 -0.2885 -0.1867 -0.1565 -0.1544 -0.0981 -0.0338 -0.0275 -0.0028 -0.0023 0.0773 0.0883 0.1549 0.1598 0.2118 0.6167 0.6355 1.7678 1.7684 2.3444 2.3491 2.5490 2.5494 2.7568 2.7780 2.9001 2.9324 3.7753 3.7763 4.2834 4.3128 4.9763 4.9781 5.1882 5.2026 5.7018 5.7083 8.4384 8.4474 9.3289 9.3324 9.4811 9.4851 9.9260 9.9705 10.4331 10.4421 k =-0.1784 0.2486 0.3060 ( 5515 PWs) bands (ev): -6.3808 -6.3808 -4.6207 -4.6172 -4.1118 -4.1065 -3.6766 -3.6639 -2.0797 -2.0764 -0.6979 -0.6851 -0.4221 -0.3895 -0.3703 -0.3229 -0.2918 -0.1875 -0.1564 -0.1545 -0.0958 -0.0343 -0.0318 -0.0036 -0.0009 0.0756 0.0920 0.1541 0.1574 0.2156 0.5801 0.6029 1.7508 1.7520 2.3304 2.3365 2.5061 2.5063 2.7562 2.7752 2.9123 2.9454 3.8924 3.8931 4.2631 4.2924 4.9234 4.9264 5.2586 5.2747 5.7141 5.7223 8.4780 8.4875 9.3612 9.3652 9.5173 9.5218 9.8129 9.8549 10.3914 10.4031 k =-0.1699 0.2368 0.2915 ( 5515 PWs) bands (ev): -6.4140 -6.4139 -4.5654 -4.5619 -4.0809 -4.0754 -3.6777 -3.6651 -2.1294 -2.1261 -0.6866 -0.6722 -0.4219 -0.3875 -0.3691 -0.3178 -0.2950 -0.1891 -0.1562 -0.1542 -0.0931 -0.0363 -0.0353 -0.0045 0.0014 0.0738 0.0954 0.1531 0.1548 0.2186 0.5438 0.5707 1.7354 1.7371 2.3132 2.3207 2.4652 2.4661 2.7602 2.7772 2.9263 2.9601 4.0037 4.0037 4.2388 4.2671 4.8763 4.8801 5.3300 5.3479 5.7327 5.7426 8.5182 8.5281 9.3907 9.3955 9.5493 9.5545 9.6889 9.7287 10.2760 10.2787 k =-0.1614 0.2250 0.2769 ( 5521 PWs) bands (ev): -6.4461 -6.4461 -4.5096 -4.5061 -4.0498 -4.0442 -3.6789 -3.6664 -2.1796 -2.1761 -0.6749 -0.6586 -0.4217 -0.3855 -0.3674 -0.3127 -0.2982 -0.1914 -0.1561 -0.1536 -0.0899 -0.0409 -0.0368 -0.0049 0.0039 0.0718 0.0985 0.1519 0.1521 0.2209 0.5079 0.5392 1.7217 1.7238 2.2935 2.3024 2.4268 2.4284 2.7676 2.7825 2.9419 2.9759 4.1014 4.1044 4.2133 4.2381 4.8403 4.8447 5.4020 5.4217 5.7573 5.7691 8.5581 8.5684 9.4130 9.4190 9.5594 9.5712 9.5809 9.6012 10.1575 10.1586 k =-0.1529 0.2131 0.2623 ( 5521 PWs) bands (ev): -6.4772 -6.4772 -4.4536 -4.4501 -4.0186 -4.0129 -3.6801 -3.6678 -2.2300 -2.2265 -0.6627 -0.6444 -0.4214 -0.3836 -0.3652 -0.3075 -0.3013 -0.1942 -0.1559 -0.1530 -0.0865 -0.0454 -0.0385 -0.0050 0.0066 0.0698 0.1014 0.1492 0.1506 0.2224 0.4726 0.5085 1.7096 1.7121 2.2722 2.2825 2.3912 2.3934 2.7767 2.7896 2.9582 2.9924 4.1570 4.1866 4.2069 4.2102 4.8239 4.8283 5.4745 5.4961 5.7874 5.8012 8.5966 8.6073 9.4186 9.4282 9.4315 9.4637 9.5934 9.5976 10.0553 10.0561 k =-0.1444 0.2013 0.2477 ( 5529 PWs) bands (ev): -6.5071 -6.5070 -4.3975 -4.3939 -3.9877 -3.9819 -3.6814 -3.6693 -2.2806 -2.2770 -0.6500 -0.6296 -0.4210 -0.3818 -0.3624 -0.3042 -0.3023 -0.1975 -0.1557 -0.1525 -0.0833 -0.0499 -0.0401 -0.0049 0.0096 0.0677 0.1041 0.1463 0.1492 0.2230 0.4379 0.4785 1.6994 1.7021 2.2502 2.2617 2.3583 2.3612 2.7860 2.7969 2.9748 3.0088 4.1388 4.1739 4.2423 4.2531 4.8368 4.8409 5.5472 5.5706 5.8223 5.8382 8.6319 8.6432 9.2982 9.3310 9.4076 9.4164 9.5985 9.6028 9.9778 9.9806 k =-0.1359 0.1894 0.2332 ( 5529 PWs) bands (ev): -6.5357 -6.5356 -4.3412 -4.3377 -3.9573 -3.9513 -3.6828 -3.6708 -2.3312 -2.3277 -0.6367 -0.6140 -0.4205 -0.3802 -0.3592 -0.3070 -0.2973 -0.2011 -0.1554 -0.1521 -0.0806 -0.0543 -0.0409 -0.0047 0.0126 0.0655 0.1065 0.1433 0.1477 0.2228 0.4041 0.4494 1.6910 1.6939 2.2284 2.2408 2.3282 2.3318 2.7939 2.8027 2.9909 3.0244 4.1104 4.1421 4.2652 4.2752 4.8846 4.8881 5.6197 5.6449 5.8613 5.8793 8.6618 8.6738 9.1709 9.2018 9.3637 9.3732 9.5927 9.5963 9.9323 9.9367 k =-0.1274 0.1776 0.2186 ( 5531 PWs) bands (ev): -6.5629 -6.5628 -4.2850 -4.2815 -3.9275 -3.9214 -3.6841 -3.6724 -2.3819 -2.3783 -0.6229 -0.5978 -0.4199 -0.3788 -0.3555 -0.3095 -0.2925 -0.2050 -0.1549 -0.1519 -0.0792 -0.0586 -0.0403 -0.0043 0.0156 0.0633 0.1088 0.1404 0.1462 0.2217 0.3711 0.4213 1.6845 1.6874 2.2072 2.2206 2.3009 2.3052 2.7991 2.8057 3.0058 3.0387 4.0831 4.1124 4.2613 4.2717 4.9628 4.9658 5.6918 5.7188 5.9035 5.9237 8.6830 8.6961 9.0482 9.0764 9.2924 9.3019 9.5778 9.5805 9.9151 9.9205 k =-0.1190 0.1658 0.2040 ( 5533 PWs) bands (ev): -6.5886 -6.5886 -4.2291 -4.2255 -3.8987 -3.8923 -3.6855 -3.6739 -2.4324 -2.4289 -0.6086 -0.5808 -0.4192 -0.3777 -0.3515 -0.3117 -0.2880 -0.2092 -0.1542 -0.1521 -0.0795 -0.0626 -0.0380 -0.0039 0.0185 0.0611 0.1108 0.1376 0.1448 0.2197 0.3394 0.3943 1.6797 1.6826 2.1873 2.2014 2.2766 2.2814 2.8003 2.8047 3.0188 3.0507 4.0592 4.0862 4.2411 4.2520 5.0615 5.0642 5.7630 5.7917 5.9483 5.9705 8.6904 8.7060 8.9327 8.9570 9.2029 9.2119 9.5578 9.5598 9.9152 9.9212 k =-0.1105 0.1539 0.1894 ( 5535 PWs) bands (ev): -6.6128 -6.6128 -4.1735 -4.1700 -3.8709 -3.8644 -3.6868 -3.6753 -2.4827 -2.4792 -0.5937 -0.5632 -0.4184 -0.3769 -0.3471 -0.3137 -0.2840 -0.2136 -0.1534 -0.1527 -0.0814 -0.0665 -0.0341 -0.0034 0.0209 0.0590 0.1126 0.1350 0.1434 0.2166 0.3091 0.3685 1.6766 1.6794 2.1690 2.1838 2.2551 2.2605 2.7966 2.7986 3.0292 3.0598 4.0399 4.0645 4.2134 4.2249 5.1723 5.1748 5.8329 5.8633 5.9949 6.0191 8.6752 8.6961 8.8310 8.8481 9.1044 9.1127 9.5380 9.5392 9.9213 9.9279 k =-0.1020 0.1421 0.1749 ( 5533 PWs) bands (ev): -6.6355 -6.6354 -4.1184 -4.1150 -3.8445 -3.8377 -3.6880 -3.6767 -2.5326 -2.5291 -0.5783 -0.5449 -0.4175 -0.3764 -0.3424 -0.3154 -0.2804 -0.2182 -0.1539 -0.1524 -0.0845 -0.0702 -0.0295 -0.0023 0.0225 0.0575 0.1142 0.1328 0.1420 0.2123 0.2808 0.3438 1.6750 1.6777 2.1528 2.1682 2.2366 2.2424 2.7871 2.7875 3.0363 3.0654 4.0261 4.0483 4.1843 4.1962 5.2899 5.2923 5.9012 5.9330 6.0425 6.0686 8.6243 8.6531 8.7538 8.7610 9.0032 9.0108 9.5232 9.5238 9.9255 9.9331 k =-0.0935 0.1302 0.1603 ( 5529 PWs) bands (ev): -6.6565 -6.6564 -4.0641 -4.0607 -3.8197 -3.8125 -3.6892 -3.6779 -2.5819 -2.5785 -0.5625 -0.5261 -0.4165 -0.3762 -0.3374 -0.3168 -0.2773 -0.2230 -0.1557 -0.1512 -0.0881 -0.0737 -0.0251 -0.0002 0.0225 0.0570 0.1154 0.1311 0.1407 0.2062 0.2554 0.3204 1.6748 1.6773 2.1390 2.1548 2.2208 2.2271 2.7701 2.7727 3.0397 3.0671 4.0180 4.0376 4.1570 4.1693 5.4108 5.4131 5.9672 6.0003 6.0906 6.1183 8.5430 8.5737 8.6951 8.6981 8.9031 8.9100 9.5167 9.5168 9.9230 9.9321 k =-0.0850 0.1184 0.1457 ( 5511 PWs) bands (ev): -6.6758 -6.6757 -4.0109 -4.0075 -3.7966 -3.7890 -3.6901 -3.6788 -2.6304 -2.6271 -0.5461 -0.5069 -0.4154 -0.3761 -0.3323 -0.3181 -0.2748 -0.2280 -0.1583 -0.1501 -0.0919 -0.0768 -0.0221 0.0038 0.0203 0.0578 0.1161 0.1301 0.1395 0.1971 0.2345 0.2983 1.6758 1.6780 2.1277 2.1439 2.2078 2.2146 2.7477 2.7525 3.0392 3.0647 4.0153 4.0323 4.1337 4.1461 5.5328 5.5350 6.0305 6.0644 6.1385 6.1675 8.4530 8.4820 8.6345 8.6371 8.8066 8.8129 9.5192 9.5194 9.9119 9.9225 k =-0.0765 0.1066 0.1312 ( 5517 PWs) bands (ev): -6.6933 -6.6933 -3.9589 -3.9557 -3.7755 -3.7675 -3.6908 -3.6794 -2.6779 -2.6747 -0.5295 -0.4874 -0.4142 -0.3762 -0.3271 -0.3193 -0.2729 -0.2332 -0.1618 -0.1491 -0.0956 -0.0798 -0.0209 0.0096 0.0156 0.0600 0.1163 0.1299 0.1383 0.1842 0.2194 0.2776 1.6776 1.6795 2.1192 2.1357 2.1976 2.2046 2.7209 2.7275 3.0350 3.0583 4.0174 4.0320 4.1152 4.1275 5.6542 5.6564 6.0905 6.1244 6.1859 6.2153 8.3651 8.3916 8.5649 8.5673 8.7153 8.7210 9.5296 9.5298 9.8926 9.9045 k =-0.0680 0.0947 0.1166 ( 5519 PWs) bands (ev): -6.7092 -6.7091 -3.9087 -3.9056 -3.7567 -3.7481 -3.6912 -3.6795 -2.7240 -2.7209 -0.5125 -0.4681 -0.4129 -0.3762 -0.3217 -0.3204 -0.2715 -0.2386 -0.1661 -0.1486 -0.0987 -0.0825 -0.0213 0.0086 0.0169 0.0632 0.1161 0.1305 0.1372 0.1691 0.2091 0.2582 1.6800 1.6817 2.1135 2.1301 2.1899 2.1972 2.6905 2.6986 3.0274 3.0485 4.0233 4.0355 4.1018 4.1137 5.7734 5.7757 6.1467 6.1794 6.2323 6.2611 8.2829 8.3069 8.4867 8.4891 8.6306 8.6357 9.5454 9.5454 9.8674 9.8797 k =-0.0595 0.0829 0.1020 ( 5527 PWs) bands (ev): -6.7232 -6.7232 -3.8607 -3.8578 -3.7405 -3.7314 -3.6907 -3.6788 -2.7683 -2.7653 -0.4955 -0.4494 -0.4115 -0.3758 -0.3216 -0.3164 -0.2706 -0.2442 -0.1713 -0.1488 -0.1012 -0.0849 -0.0227 -0.0001 0.0248 0.0669 0.1159 0.1316 0.1361 0.1550 0.2009 0.2402 1.6828 1.6842 2.1107 2.1272 2.1848 2.1922 2.6578 2.6669 3.0173 3.0359 4.0320 4.0419 4.0933 4.1044 5.8889 5.8912 6.1984 6.2285 6.2774 6.3041 8.2082 8.2295 8.4030 8.4052 8.5535 8.5579 9.5632 9.5637 9.8393 9.8510 k =-0.0510 0.0710 0.0874 ( 5527 PWs) bands (ev): -6.7354 -6.7354 -3.8155 -3.8129 -3.7273 -3.7181 -3.6888 -3.6772 -2.8100 -2.8073 -0.4783 -0.4323 -0.4101 -0.3746 -0.3226 -0.3111 -0.2702 -0.2498 -0.1769 -0.1504 -0.1030 -0.0871 -0.0248 -0.0099 0.0330 0.0706 0.1158 0.1332 0.1350 0.1436 0.1935 0.2236 1.6857 1.6868 2.1105 2.1265 2.1823 2.1894 2.6242 2.6338 3.0056 3.0217 4.0422 4.0499 4.0892 4.0990 5.9986 6.0010 6.2452 6.2714 6.3202 6.3436 8.1419 8.1605 8.3172 8.3193 8.4848 8.4887 9.5803 9.5817 9.8116 9.8216 k =-0.0425 0.0592 0.0729 ( 5517 PWs) bands (ev): -6.7458 -6.7458 -3.7741 -3.7720 -3.7173 -3.7095 -3.6843 -3.6742 -2.8486 -2.8461 -0.4614 -0.4184 -0.4086 -0.3720 -0.3231 -0.3059 -0.2703 -0.2554 -0.1826 -0.1536 -0.1041 -0.0893 -0.0272 -0.0196 0.0410 0.0738 0.1162 0.1330 0.1351 0.1365 0.1864 0.2083 1.6884 1.6893 2.1125 2.1274 2.1821 2.1886 2.5911 2.6008 2.9933 3.0069 4.0527 4.0581 4.0887 4.0967 6.1001 6.1026 6.2869 6.3081 6.3595 6.3787 8.0848 8.1005 8.2331 8.2349 8.4254 8.4287 9.5941 9.5967 9.7874 9.7948 k =-0.0340 0.0474 0.0583 ( 5517 PWs) bands (ev): -6.7543 -6.7543 -3.7377 -3.7366 -3.7097 -3.7051 -3.6774 -3.6702 -2.8829 -2.8807 -0.4448 -0.4091 -0.4069 -0.3682 -0.3219 -0.3009 -0.2709 -0.2608 -0.1878 -0.1589 -0.1045 -0.0915 -0.0299 -0.0281 0.0485 0.0760 0.1171 0.1291 0.1349 0.1373 0.1794 0.1943 1.6908 1.6915 2.1161 2.1292 2.1842 2.1896 2.5603 2.5694 2.9817 2.9926 4.0624 4.0655 4.0909 4.0967 6.1898 6.1926 6.3235 6.3392 6.3939 6.4087 8.0375 8.0503 8.1546 8.1562 8.3759 8.3785 9.6028 9.6065 9.7693 9.7736 k =-0.0255 0.0355 0.0437 ( 5517 PWs) bands (ev): -6.7609 -6.7609 -3.7136 -3.7104 -3.7002 -3.6985 -3.6701 -3.6657 -2.9117 -2.9099 -0.4289 -0.4052 -0.4044 -0.3662 -0.3172 -0.2963 -0.2721 -0.2660 -0.1919 -0.1661 -0.1044 -0.0939 -0.0343 -0.0326 0.0553 0.0767 0.1184 0.1270 0.1350 0.1399 0.1727 0.1817 1.6928 1.6933 2.1206 2.1310 2.1880 2.1920 2.5334 2.5413 2.9717 2.9800 4.0703 4.0714 4.0947 4.0982 6.2631 6.2665 6.3559 6.3658 6.4225 6.4328 8.0006 8.0103 8.0862 8.0875 8.3369 8.3388 9.6060 9.6103 9.7581 9.7597 k =-0.0170 0.0237 0.0291 ( 5517 PWs) bands (ev): -6.7657 -6.7656 -3.7077 -3.7050 -3.6823 -3.6795 -3.6634 -3.6614 -2.9336 -2.9324 -0.4147 -0.4027 -0.4027 -0.3686 -0.3086 -0.2922 -0.2741 -0.2706 -0.1940 -0.1747 -0.1037 -0.0964 -0.0380 -0.0353 0.0613 0.0759 0.1201 0.1261 0.1368 0.1427 0.1665 0.1706 1.6943 1.6946 2.1249 2.1321 2.1925 2.1949 2.5126 2.5184 2.9643 2.9698 4.0757 4.0758 4.0986 4.1003 6.3143 6.3183 6.3851 6.3894 6.4442 6.4506 7.9744 7.9810 8.0325 8.0334 8.3087 8.3100 9.6056 9.6092 9.7525 9.7526 k =-0.0085 0.0118 0.0146 ( 5511 PWs) bands (ev): -6.7685 -6.7685 -3.7058 -3.7046 -3.6697 -3.6679 -3.6575 -3.6570 -2.9474 -2.9467 -0.4061 -0.4026 -0.3959 -0.3753 -0.2989 -0.2896 -0.2766 -0.2746 -0.1935 -0.1831 -0.1025 -0.0988 -0.0393 -0.0375 0.0664 0.0737 0.1219 0.1251 0.1407 0.1453 0.1611 0.1618 1.6952 1.6954 2.1285 2.1322 2.1962 2.1973 2.4998 2.5029 2.9601 2.9629 4.0785 4.0788 4.1015 4.1021 6.3423 6.3451 6.4080 6.4090 6.4585 6.4614 7.9593 7.9625 7.9980 7.9985 8.2918 8.2925 9.6042 9.6063 9.7500 9.7503 k = 0.0000 0.0000 0.0000 ( 5509 PWs) bands (ev): -6.7695 -6.7695 -3.7049 -3.7049 -3.6655 -3.6655 -3.6546 -3.6546 -2.9518 -2.9518 -0.4036 -0.4036 -0.3850 -0.3850 -0.2915 -0.2915 -0.2772 -0.2772 -0.1898 -0.1898 -0.1008 -0.1008 -0.0390 -0.0390 0.0705 0.0705 0.1237 0.1237 0.1450 0.1450 0.1582 0.1582 1.6956 1.6956 2.1310 2.1310 2.1979 2.1979 2.4964 2.4964 2.9596 2.9596 4.0796 4.0796 4.1026 4.1026 6.3518 6.3518 6.4168 6.4168 6.4644 6.4644 7.9553 7.9553 7.9863 7.9863 8.2864 8.2864 9.6043 9.6043 9.7495 9.7495 k = 0.0000 0.0000 0.0000 ( 5509 PWs) bands (ev): -6.7695 -6.7695 -3.7049 -3.7049 -3.6655 -3.6655 -3.6546 -3.6546 -2.9518 -2.9518 -0.4036 -0.4036 -0.3850 -0.3850 -0.2915 -0.2915 -0.2772 -0.2772 -0.1898 -0.1898 -0.1008 -0.1008 -0.0390 -0.0390 0.0705 0.0705 0.1237 0.1237 0.1450 0.1450 0.1582 0.1582 1.6956 1.6956 2.1310 2.1310 2.1979 2.1979 2.4964 2.4964 2.9596 2.9596 4.0796 4.0796 4.1026 4.1026 6.3518 6.3518 6.4168 6.4168 6.4644 6.4644 7.9553 7.9553 7.9863 7.9863 8.2864 8.2864 9.6043 9.6043 9.7495 9.7495 k = 0.0167 0.0120 0.0000 ( 5509 PWs) bands (ev): -6.7684 -6.7684 -3.7160 -3.7160 -3.6661 -3.6661 -3.6547 -3.6547 -2.9405 -2.9405 -0.4035 -0.4035 -0.3859 -0.3859 -0.2991 -0.2991 -0.2707 -0.2707 -0.1901 -0.1901 -0.1006 -0.1006 -0.0381 -0.0381 0.0704 0.0704 0.1238 0.1238 0.1449 0.1449 0.1579 0.1579 1.6954 1.6954 2.1325 2.1325 2.1994 2.1994 2.4983 2.4983 2.9627 2.9627 4.0810 4.0810 4.1040 4.1040 6.3468 6.3468 6.4127 6.4127 6.4516 6.4516 7.9553 7.9553 7.9993 7.9993 8.2894 8.2894 9.6065 9.6065 9.7517 9.7517 k = 0.0333 0.0239 0.0000 ( 5513 PWs) bands (ev): -6.7651 -6.7651 -3.7481 -3.7481 -3.6670 -3.6670 -3.6551 -3.6551 -2.9085 -2.9085 -0.4034 -0.4034 -0.3888 -0.3888 -0.3115 -0.3115 -0.2613 -0.2613 -0.1911 -0.1911 -0.0999 -0.0999 -0.0357 -0.0357 0.0700 0.0700 0.1242 0.1242 0.1445 0.1445 0.1571 0.1571 1.6949 1.6949 2.1371 2.1371 2.2038 2.2038 2.5040 2.5040 2.9720 2.9720 4.0851 4.0851 4.1081 4.1081 6.3308 6.3308 6.4003 6.4003 6.4157 6.4157 7.9556 7.9556 8.0367 8.0367 8.2983 8.2983 9.6127 9.6127 9.7577 9.7577 k = 0.0500 0.0359 0.0000 ( 5521 PWs) bands (ev): -6.7597 -6.7597 -3.7971 -3.7971 -3.6678 -3.6678 -3.6557 -3.6557 -2.8602 -2.8602 -0.4037 -0.4037 -0.3942 -0.3942 -0.3238 -0.3238 -0.2526 -0.2526 -0.1926 -0.1926 -0.0988 -0.0988 -0.0320 -0.0320 0.0694 0.0694 0.1249 0.1249 0.1440 0.1440 0.1557 0.1557 1.6943 1.6943 2.1447 2.1447 2.2111 2.2111 2.5134 2.5134 2.9873 2.9873 4.0920 4.0920 4.1149 4.1149 6.2985 6.2985 6.3661 6.3661 6.3799 6.3799 7.9562 7.9562 8.0946 8.0946 8.3129 8.3129 9.6215 9.6215 9.7663 9.7663 k = 0.0667 0.0478 0.0000 ( 5533 PWs) bands (ev): -6.7522 -6.7522 -3.8581 -3.8581 -3.6687 -3.6687 -3.6566 -3.6566 -2.8004 -2.8004 -0.4083 -0.4083 -0.3991 -0.3991 -0.3341 -0.3341 -0.2452 -0.2452 -0.1946 -0.1946 -0.0971 -0.0971 -0.0276 -0.0276 0.0686 0.0686 0.1259 0.1259 0.1435 0.1435 0.1538 0.1538 1.6937 1.6937 2.1552 2.1552 2.2212 2.2212 2.5264 2.5264 3.0082 3.0082 4.1015 4.1015 4.1244 4.1244 6.2384 6.2384 6.3192 6.3192 6.3521 6.3521 7.9575 7.9575 8.1675 8.1675 8.3329 8.3329 9.6302 9.6302 9.7754 9.7754 k = 0.0833 0.0598 0.0000 ( 5541 PWs) bands (ev): -6.7425 -6.7425 -3.9273 -3.9273 -3.6698 -3.6698 -3.6577 -3.6577 -2.7331 -2.7331 -0.4222 -0.4222 -0.3996 -0.3996 -0.3415 -0.3415 -0.2388 -0.2388 -0.1970 -0.1970 -0.0950 -0.0950 -0.0230 -0.0230 0.0675 0.0675 0.1269 0.1269 0.1430 0.1430 0.1514 0.1514 1.6935 1.6935 2.1687 2.1687 2.2341 2.2341 2.5430 2.5430 3.0346 3.0346 4.1137 4.1137 4.1365 4.1365 6.1525 6.1525 6.2780 6.2780 6.3173 6.3173 7.9598 7.9598 8.2502 8.2502 8.3577 8.3577 9.6351 9.6351 9.7815 9.7815 k = 0.1000 0.0718 0.0000 ( 5541 PWs) bands (ev): -6.7306 -6.7306 -4.0020 -4.0020 -3.6709 -3.6709 -3.6590 -3.6590 -2.6610 -2.6610 -0.4413 -0.4413 -0.3988 -0.3988 -0.3460 -0.3460 -0.2334 -0.2334 -0.1996 -0.1996 -0.0923 -0.0923 -0.0188 -0.0188 0.0663 0.0663 0.1277 0.1277 0.1429 0.1429 0.1488 0.1488 1.6940 1.6940 2.1849 2.1849 2.2497 2.2497 2.5627 2.5627 3.0659 3.0659 4.1284 4.1284 4.1510 4.1510 6.0522 6.0522 6.2355 6.2355 6.2764 6.2764 7.9635 7.9635 8.3374 8.3374 8.3870 8.3870 9.6313 9.6313 9.7724 9.7724 k = 0.1167 0.0837 0.0000 ( 5533 PWs) bands (ev): -6.7166 -6.7166 -4.0803 -4.0803 -3.6723 -3.6723 -3.6605 -3.6605 -2.5859 -2.5859 -0.4639 -0.4639 -0.3976 -0.3976 -0.3485 -0.3485 -0.2289 -0.2289 -0.2025 -0.2025 -0.0890 -0.0890 -0.0153 -0.0153 0.0651 0.0651 0.1280 0.1280 0.1426 0.1426 0.1472 0.1472 1.6956 1.6956 2.2039 2.2039 2.2679 2.2679 2.5856 2.5856 3.1017 3.1017 4.1456 4.1456 4.1680 4.1680 5.9433 5.9433 6.1894 6.1894 6.2300 6.2300 7.9686 7.9686 8.4200 8.4200 8.4242 8.4242 9.6164 9.6164 9.7416 9.7416 k = 0.1333 0.0957 0.0000 ( 5529 PWs) bands (ev): -6.7005 -6.7005 -4.1608 -4.1608 -3.6737 -3.6737 -3.6622 -3.6622 -2.5092 -2.5092 -0.4890 -0.4890 -0.3962 -0.3962 -0.3497 -0.3497 -0.2251 -0.2251 -0.2057 -0.2057 -0.0852 -0.0852 -0.0128 -0.0128 0.0638 0.0638 0.1273 0.1273 0.1401 0.1401 0.1485 0.1485 1.6988 1.6988 2.2254 2.2254 2.2886 2.2886 2.6112 2.6112 3.1415 3.1415 4.1651 4.1651 4.1873 4.1873 5.8291 5.8291 6.1394 6.1394 6.1789 6.1789 7.9756 7.9756 8.4570 8.4570 8.5045 8.5045 9.5931 9.5931 9.7081 9.7081 k = 0.1500 0.1076 0.0000 ( 5538 PWs) bands (ev): -6.6822 -6.6822 -4.2429 -4.2429 -3.6753 -3.6753 -3.6641 -3.6641 -2.4318 -2.4318 -0.5157 -0.5157 -0.3946 -0.3946 -0.3500 -0.3500 -0.2220 -0.2220 -0.2090 -0.2090 -0.0808 -0.0808 -0.0114 -0.0114 0.0626 0.0626 0.1258 0.1258 0.1364 0.1364 0.1518 0.1518 1.7039 1.7039 2.2494 2.2494 2.3116 2.3116 2.6391 2.6391 3.1848 3.1848 4.1868 4.1868 4.2087 4.2087 5.7116 5.7116 6.0859 6.0859 6.1239 6.1239 7.9844 7.9844 8.4968 8.4968 8.5731 8.5731 9.5674 9.5674 9.6679 9.6679 k = 0.1667 0.1196 0.0000 ( 5538 PWs) bands (ev): -6.6618 -6.6618 -4.3257 -4.3257 -3.6770 -3.6770 -3.6661 -3.6661 -2.3545 -2.3545 -0.5436 -0.5436 -0.3929 -0.3929 -0.3497 -0.3497 -0.2197 -0.2197 -0.2126 -0.2126 -0.0758 -0.0758 -0.0112 -0.0112 0.0615 0.0615 0.1236 0.1236 0.1324 0.1324 0.1560 0.1560 1.7112 1.7112 2.2757 2.2757 2.3367 2.3367 2.6692 2.6692 3.2312 3.2312 4.2104 4.2104 4.2321 4.2321 5.5924 5.5924 6.0294 6.0294 6.0659 6.0659 7.9952 7.9952 8.5389 8.5389 8.6237 8.6237 9.5358 9.5358 9.6154 9.6154 k = 0.1833 0.1316 0.0000 ( 5518 PWs) bands (ev): -6.6393 -6.6393 -4.4089 -4.4089 -3.6788 -3.6788 -3.6682 -3.6682 -2.2778 -2.2778 -0.5725 -0.5725 -0.3910 -0.3910 -0.3490 -0.3490 -0.2180 -0.2180 -0.2163 -0.2163 -0.0703 -0.0703 -0.0119 -0.0119 0.0607 0.0607 0.1210 0.1210 0.1283 0.1283 0.1606 0.1606 1.7212 1.7212 2.3041 2.3041 2.3639 2.3639 2.7007 2.7007 3.2800 3.2800 4.2359 4.2359 4.2572 4.2572 5.4725 5.4725 5.9708 5.9708 6.0055 6.0055 8.0080 8.0080 8.5826 8.5826 8.6511 8.6511 9.4794 9.4794 9.5341 9.5341 k = 0.2000 0.1435 0.0000 ( 5510 PWs) bands (ev): -6.6147 -6.6147 -4.4922 -4.4922 -3.6807 -3.6807 -3.6705 -3.6705 -2.2021 -2.2021 -0.6021 -0.6021 -0.3890 -0.3890 -0.3478 -0.3478 -0.2204 -0.2204 -0.2168 -0.2168 -0.0644 -0.0644 -0.0132 -0.0132 0.0599 0.0599 0.1178 0.1178 0.1243 0.1243 0.1654 0.1654 1.7341 1.7341 2.3345 2.3345 2.3929 2.3929 2.7333 2.7333 3.3308 3.3308 4.2629 4.2629 4.2837 4.2837 5.3530 5.3530 5.9106 5.9106 5.9436 5.9436 8.0226 8.0226 8.6266 8.6266 8.6539 8.6539 9.3974 9.3974 9.4386 9.4386 k = 0.2167 0.1555 0.0000 ( 5494 PWs) bands (ev): -6.5879 -6.5879 -4.5752 -4.5752 -3.6826 -3.6826 -3.6728 -3.6728 -2.1278 -2.1278 -0.6322 -0.6322 -0.3868 -0.3868 -0.3463 -0.3463 -0.2246 -0.2246 -0.2165 -0.2165 -0.0583 -0.0583 -0.0149 -0.0149 0.0594 0.0594 0.1143 0.1143 0.1206 0.1206 0.1701 0.1701 1.7502 1.7502 2.3666 2.3666 2.4235 2.4235 2.7664 2.7664 3.3832 3.3832 4.2912 4.2912 4.3115 4.3115 5.2347 5.2347 5.8495 5.8495 5.8808 5.8808 8.0389 8.0389 8.6343 8.6343 8.6694 8.6694 9.3011 9.3011 9.3349 9.3349 k = 0.2333 0.1674 0.0000 ( 5502 PWs) bands (ev): -6.5591 -6.5591 -4.6578 -4.6578 -3.6846 -3.6846 -3.6752 -3.6752 -2.0551 -2.0551 -0.6627 -0.6627 -0.3845 -0.3845 -0.3446 -0.3446 -0.2290 -0.2290 -0.2169 -0.2169 -0.0523 -0.0523 -0.0166 -0.0166 0.0590 0.0590 0.1104 0.1104 0.1172 0.1172 0.1745 0.1745 1.7697 1.7697 2.4001 2.4001 2.4554 2.4554 2.7992 2.7992 3.4365 3.4365 4.3204 4.3204 4.3401 4.3401 5.1184 5.1184 5.7883 5.7883 5.8179 5.8179 8.0567 8.0567 8.5972 8.5972 8.7085 8.7085 9.1975 9.1975 9.2267 9.2267 k = 0.2500 0.1794 0.0000 ( 5522 PWs) bands (ev): -6.5282 -6.5282 -4.7397 -4.7397 -3.6865 -3.6865 -3.6776 -3.6776 -1.9844 -1.9844 -0.6936 -0.6936 -0.3821 -0.3821 -0.3426 -0.3426 -0.2337 -0.2337 -0.2180 -0.2180 -0.0471 -0.0471 -0.0174 -0.0174 0.0587 0.0587 0.1064 0.1064 0.1139 0.1139 0.1785 0.1785 1.7930 1.7930 2.4349 2.4349 2.4884 2.4884 2.8309 2.8309 3.4905 3.4905 4.3502 4.3502 4.3693 4.3693 5.0050 5.0050 5.7276 5.7276 5.7556 5.7556 8.0754 8.0754 8.5478 8.5478 8.7402 8.7402 9.0904 9.0904 9.1165 9.1165 k = 0.2667 0.1914 0.0000 ( 5522 PWs) bands (ev): -6.4953 -6.4953 -4.8208 -4.8208 -3.6885 -3.6885 -3.6801 -3.6801 -1.9157 -1.9157 -0.7246 -0.7246 -0.3795 -0.3795 -0.3404 -0.3404 -0.2386 -0.2386 -0.2197 -0.2197 -0.0433 -0.0433 -0.0167 -0.0167 0.0586 0.0586 0.1027 0.1027 0.1109 0.1109 0.1820 0.1820 1.8201 1.8201 2.4707 2.4707 2.5222 2.5222 2.8608 2.8608 3.5445 3.5445 4.3802 4.3802 4.3984 4.3984 4.8952 4.8952 5.6682 5.6682 5.6946 5.6946 8.0943 8.0943 8.4907 8.4907 8.7596 8.7596 8.9826 8.9826 9.0063 9.0063 k = 0.2833 0.2033 0.0000 ( 5514 PWs) bands (ev): -6.4602 -6.4602 -4.9011 -4.9011 -3.6904 -3.6904 -3.6825 -3.6825 -1.8492 -1.8492 -0.7559 -0.7559 -0.3767 -0.3767 -0.3379 -0.3379 -0.2436 -0.2436 -0.2222 -0.2222 -0.0415 -0.0415 -0.0141 -0.0141 0.0589 0.0589 0.0995 0.0995 0.1080 0.1080 0.1849 0.1849 1.8512 1.8512 2.5071 2.5071 2.5565 2.5565 2.8876 2.8876 3.5980 3.5980 4.4098 4.4098 4.4272 4.4272 4.7900 4.7900 5.6108 5.6108 5.6355 5.6355 8.1124 8.1124 8.4292 8.4292 8.7622 8.7622 8.8763 8.8763 8.8977 8.8977 k = 0.3000 0.2153 0.0000 ( 5514 PWs) bands (ev): -6.4231 -6.4231 -4.9803 -4.9803 -3.6922 -3.6922 -3.6849 -3.6849 -1.7851 -1.7851 -0.7874 -0.7874 -0.3738 -0.3738 -0.3352 -0.3352 -0.2489 -0.2489 -0.2253 -0.2253 -0.0412 -0.0412 -0.0104 -0.0104 0.0595 0.0595 0.0970 0.0970 0.1052 0.1052 0.1871 0.1871 1.8864 1.8864 2.5437 2.5437 2.5908 2.5908 2.9104 2.9104 3.6507 3.6507 4.4385 4.4385 4.4549 4.4549 4.6903 4.6903 5.5561 5.5561 5.5792 5.5792 8.1281 8.1281 8.3660 8.3660 8.7438 8.7438 8.7765 8.7765 8.7920 8.7920 k = 0.3167 0.2272 0.0000 ( 5506 PWs) bands (ev): -6.3840 -6.3840 -5.0584 -5.0584 -3.6940 -3.6940 -3.6872 -3.6872 -1.7234 -1.7234 -0.8190 -0.8190 -0.3707 -0.3707 -0.3322 -0.3322 -0.2544 -0.2544 -0.2290 -0.2290 -0.0416 -0.0416 -0.0066 -0.0066 0.0606 0.0606 0.0955 0.0955 0.1027 0.1027 0.1887 0.1887 1.9257 1.9257 2.5803 2.5803 2.6249 2.6249 2.9278 2.9278 3.7021 3.7021 4.4657 4.4657 4.4811 4.4811 4.5971 4.5971 5.5048 5.5048 5.5263 5.5263 8.1391 8.1391 8.3028 8.3028 8.6671 8.6671 8.6898 8.6898 8.7280 8.7280 k = 0.3333 0.2392 0.0000 ( 5490 PWs) bands (ev): -6.3429 -6.3429 -5.1354 -5.1354 -3.6957 -3.6957 -3.6894 -3.6894 -1.6641 -1.6641 -0.8508 -0.8508 -0.3673 -0.3673 -0.3290 -0.3290 -0.2600 -0.2600 -0.2332 -0.2332 -0.0421 -0.0421 -0.0037 -0.0037 0.0621 0.0621 0.0949 0.0949 0.1006 0.1006 0.1895 0.1895 1.9691 1.9691 2.6164 2.6164 2.6583 2.6583 2.9387 2.9387 3.7517 3.7517 4.4904 4.4904 4.5052 4.5052 4.5118 4.5118 5.4577 5.4577 5.4776 5.4776 8.1428 8.1428 8.2414 8.2414 8.5729 8.5729 8.5929 8.5929 8.6996 8.6996 k = 0.3500 0.2512 0.0000 ( 5474 PWs) bands (ev): -6.2998 -6.2998 -5.2110 -5.2110 -3.6972 -3.6972 -3.6915 -3.6915 -1.6073 -1.6073 -0.8828 -0.8828 -0.3638 -0.3638 -0.3256 -0.3256 -0.2658 -0.2658 -0.2378 -0.2378 -0.0423 -0.0423 -0.0021 -0.0021 0.0639 0.0639 0.0945 0.0945 0.1001 0.1001 0.1896 0.1896 2.0165 2.0165 2.6516 2.6516 2.6906 2.6906 2.9417 2.9417 3.7991 3.7991 4.4337 4.4337 4.5136 4.5136 4.5265 4.5265 5.4155 5.4155 5.4336 5.4336 8.1365 8.1365 8.1828 8.1828 8.4835 8.4835 8.5018 8.5018 8.6796 8.6796 k = 0.3667 0.2631 0.0000 ( 5466 PWs) bands (ev): -6.2548 -6.2548 -5.2854 -5.2854 -3.6986 -3.6986 -3.6935 -3.6935 -1.5529 -1.5529 -0.9151 -0.9151 -0.3600 -0.3600 -0.3221 -0.3221 -0.2717 -0.2717 -0.2428 -0.2428 -0.0422 -0.0422 -0.0019 -0.0019 0.0657 0.0657 0.0930 0.0930 0.1025 0.1025 0.1889 0.1889 2.0677 2.0677 2.6852 2.6852 2.7212 2.7212 2.9359 2.9359 3.8439 3.8439 4.3655 4.3655 4.5328 4.5328 4.5446 4.5446 5.3786 5.3786 5.3950 5.3950 8.1188 8.1188 8.1288 8.1288 8.4006 8.4006 8.4172 8.4172 8.6732 8.6732 k = 0.3833 0.2751 0.0000 ( 5474 PWs) bands (ev): -6.2077 -6.2077 -5.3583 -5.3583 -3.6998 -3.6998 -3.6953 -3.6953 -1.5008 -1.5008 -0.9477 -0.9477 -0.3560 -0.3560 -0.3183 -0.3183 -0.2778 -0.2778 -0.2481 -0.2481 -0.0416 -0.0416 -0.0030 -0.0030 0.0673 0.0673 0.0909 0.0909 0.1071 0.1071 0.1875 0.1875 2.1226 2.1226 2.7169 2.7169 2.7495 2.7495 2.9206 2.9206 3.8857 3.8857 4.3068 4.3068 4.5486 4.5486 4.5592 4.5592 5.3475 5.3475 5.3621 5.3621 8.0774 8.0774 8.0938 8.0938 8.3251 8.3251 8.3400 8.3400 8.6819 8.6819 k = 0.4000 0.2870 0.0000 ( 5466 PWs) bands (ev): -6.1587 -6.1587 -5.4298 -5.4298 -3.7009 -3.7009 -3.6970 -3.6970 -1.4510 -1.4510 -0.9806 -0.9806 -0.3517 -0.3517 -0.3143 -0.3143 -0.2839 -0.2839 -0.2535 -0.2535 -0.0405 -0.0405 -0.0051 -0.0051 0.0688 0.0688 0.0887 0.0887 0.1133 0.1133 0.1853 0.1853 2.1809 2.1809 2.7457 2.7457 2.7750 2.7750 2.8959 2.8959 3.9244 3.9244 4.2573 4.2573 4.5608 4.5608 4.5701 4.5701 5.3223 5.3223 5.3351 5.3351 8.0333 8.0333 8.0613 8.0613 8.2579 8.2579 8.2710 8.2710 8.7046 8.7046 k = 0.4167 0.2990 0.0000 ( 5466 PWs) bands (ev): -6.1079 -6.1079 -5.4998 -5.4998 -3.7017 -3.7017 -3.6985 -3.6985 -1.4034 -1.4034 -1.0141 -1.0141 -0.3472 -0.3472 -0.3103 -0.3103 -0.2900 -0.2900 -0.2590 -0.2590 -0.0390 -0.0390 -0.0079 -0.0079 0.0701 0.0701 0.0866 0.0866 0.1203 0.1203 0.1824 0.1824 2.2421 2.2421 2.7701 2.7701 2.7967 2.7967 2.8637 2.8637 3.9596 3.9596 4.2165 4.2165 4.5695 4.5695 4.5776 4.5776 5.3028 5.3028 5.3136 5.3136 7.9952 7.9952 8.0269 8.0269 8.1997 8.1997 8.2109 8.2109 8.7389 8.7389 k = 0.4333 0.3110 0.0000 ( 5466 PWs) bands (ev): -6.0551 -6.0551 -5.5682 -5.5682 -3.7024 -3.7024 -3.6998 -3.6998 -1.3578 -1.3578 -1.0482 -1.0482 -0.3424 -0.3424 -0.3062 -0.3062 -0.2959 -0.2959 -0.2645 -0.2645 -0.0371 -0.0371 -0.0112 -0.0112 0.0714 0.0714 0.0845 0.0845 0.1279 0.1279 0.1787 0.1787 2.3059 2.3059 2.7818 2.7818 2.8120 2.8120 2.8347 2.8347 3.9914 3.9914 4.1830 4.1830 4.5754 4.5754 4.5821 4.5821 5.2886 5.2886 5.2974 5.2974 7.9641 7.9641 7.9940 7.9940 8.1512 8.1512 8.1604 8.1604 8.7824 8.7824 k = 0.4500 0.3229 0.0000 ( 5478 PWs) bands (ev): -6.0005 -6.0005 -5.6351 -5.6351 -3.7028 -3.7028 -3.7009 -3.7009 -1.3141 -1.3141 -1.0830 -1.0830 -0.3374 -0.3374 -0.3046 -0.3046 -0.2992 -0.2992 -0.2700 -0.2700 -0.0347 -0.0347 -0.0147 -0.0147 0.0726 0.0726 0.0825 0.0825 0.1355 0.1355 0.1743 0.1743 2.3715 2.3715 2.7514 2.7514 2.8230 2.8230 2.8363 2.8363 4.0199 4.0199 4.1553 4.1553 4.5790 4.5790 4.5843 4.5843 5.2789 5.2789 5.2856 5.2856 7.9404 7.9404 7.9650 7.9650 8.1131 8.1131 8.1201 8.1201 8.8332 8.8332 k = 0.4667 0.3349 0.0000 ( 5482 PWs) bands (ev): -5.9440 -5.9440 -5.7003 -5.7003 -3.7031 -3.7031 -3.7018 -3.7018 -1.2722 -1.2722 -1.1186 -1.1186 -0.3322 -0.3322 -0.3095 -0.3095 -0.2957 -0.2957 -0.2755 -0.2755 -0.0319 -0.0319 -0.0184 -0.0184 0.0740 0.0740 0.0805 0.0805 0.1431 0.1431 0.1692 0.1692 2.4385 2.4385 2.6977 2.6977 2.8355 2.8355 2.8447 2.8447 4.0454 4.0454 4.1317 4.1317 4.5812 4.5812 4.5848 4.5848 5.2730 5.2730 5.2776 5.2776 7.9245 7.9245 7.9419 7.9419 8.0859 8.0859 8.0906 8.0906 8.8900 8.8900 k = 0.4833 0.3469 0.0000 ( 5490 PWs) bands (ev): -5.8857 -5.8857 -5.7638 -5.7638 -3.7031 -3.7031 -3.7024 -3.7024 -1.2318 -1.2318 -1.1551 -1.1551 -0.3267 -0.3267 -0.3153 -0.3153 -0.2910 -0.2910 -0.2808 -0.2808 -0.0289 -0.0289 -0.0220 -0.0220 0.0755 0.0755 0.0787 0.0787 0.1503 0.1503 0.1635 0.1635 2.5057 2.5057 2.6369 2.6369 2.8448 2.8448 2.8495 2.8495 4.0684 4.0684 4.1103 4.1103 4.5826 4.5826 4.5844 4.5844 5.2703 5.2703 5.2726 5.2726 7.9167 7.9167 7.9257 7.9257 8.0698 8.0698 8.0722 8.0722 8.9520 8.9520 k = 0.5000 0.3588 0.0000 ( 5486 PWs) bands (ev): -5.8256 -5.8256 -5.8256 -5.8256 -3.7029 -3.7029 -3.7029 -3.7029 -1.1928 -1.1928 -1.1928 -1.1928 -0.3211 -0.3211 -0.3211 -0.3211 -0.2860 -0.2860 -0.2860 -0.2860 -0.0255 -0.0255 -0.0255 -0.0255 0.0771 0.0771 0.0771 0.0771 0.1572 0.1572 0.1572 0.1572 2.5723 2.5723 2.5723 2.5723 2.8495 2.8495 2.8495 2.8495 4.0897 4.0897 4.0897 4.0897 4.5836 4.5836 4.5836 4.5836 5.2702 5.2702 5.2702 5.2702 7.9171 7.9171 7.9171 7.9171 8.0653 8.0653 8.0653 8.0653 9.0183 9.0183 k = 0.5000 0.3588 0.0000 ( 5486 PWs) bands (ev): -5.8256 -5.8256 -5.8256 -5.8256 -3.7029 -3.7029 -3.7029 -3.7029 -1.1928 -1.1928 -1.1928 -1.1928 -0.3211 -0.3211 -0.3211 -0.3211 -0.2860 -0.2860 -0.2860 -0.2860 -0.0255 -0.0255 -0.0255 -0.0255 0.0771 0.0771 0.0771 0.0771 0.1572 0.1572 0.1572 0.1572 2.5723 2.5723 2.5723 2.5723 2.8495 2.8495 2.8495 2.8495 4.0897 4.0897 4.0897 4.0897 4.5836 4.5836 4.5836 4.5836 5.2702 5.2702 5.2702 5.2702 7.9171 7.9171 7.9171 7.9171 8.0653 8.0653 8.0653 8.0653 9.0183 9.0183 k = 0.4916 0.3706 0.0145 ( 5477 PWs) bands (ev): -5.8254 -5.8253 -5.8247 -5.8246 -3.7060 -3.7059 -3.7031 -3.7025 -1.1940 -1.1926 -1.1908 -1.1904 -0.3258 -0.3246 -0.3180 -0.3166 -0.2967 -0.2896 -0.2811 -0.2743 -0.0314 -0.0273 -0.0234 -0.0201 0.0695 0.0768 0.0771 0.0854 0.1512 0.1555 0.1588 0.1665 2.5658 2.5664 2.5720 2.5720 2.8462 2.8474 2.8515 2.8569 4.0840 4.0841 4.0894 4.0901 4.5802 4.5807 4.5878 4.5899 5.2659 5.2661 5.2706 5.2722 7.9073 7.9073 7.9221 7.9224 8.0681 8.0709 8.0789 8.0798 9.0216 9.0235 k = 0.4831 0.3823 0.0289 ( 5465 PWs) bands (ev): -5.8247 -5.8246 -5.8220 -5.8218 -3.7151 -3.7149 -3.7031 -3.7019 -1.1955 -1.1926 -1.1850 -1.1844 -0.3304 -0.3285 -0.3159 -0.3140 -0.3046 -0.2916 -0.2752 -0.2619 -0.0374 -0.0287 -0.0210 -0.0153 0.0632 0.0764 0.0769 0.0932 0.1487 0.1552 0.1601 0.1790 2.5533 2.5545 2.5649 2.5654 2.8445 2.8452 2.8552 2.8682 4.0675 4.0678 4.0892 4.0906 4.5707 4.5717 4.6014 4.6056 5.2536 5.2540 5.2732 5.2765 7.8854 7.8855 7.9370 7.9376 8.0794 8.0849 8.1130 8.1148 9.0346 9.0405 k = 0.4747 0.3941 0.0434 ( 5471 PWs) bands (ev): -5.8235 -5.8233 -5.8174 -5.8171 -3.7299 -3.7297 -3.7029 -3.7012 -1.1975 -1.1932 -1.1756 -1.1747 -0.3349 -0.3328 -0.3190 -0.3151 -0.3042 -0.2916 -0.2684 -0.2492 -0.0436 -0.0297 -0.0185 -0.0111 0.0580 0.0756 0.0766 0.0983 0.1468 0.1610 0.1615 0.1946 2.5356 2.5369 2.5515 2.5529 2.8407 2.8437 2.8627 2.8827 4.0417 4.0422 4.0890 4.0911 4.5552 4.5566 4.6233 4.6296 5.2335 5.2341 5.2783 5.2832 7.8610 7.8611 7.9617 7.9626 8.0991 8.1073 8.1577 8.1605 9.0573 9.0663 k = 0.4662 0.4058 0.0579 ( 5495 PWs) bands (ev): -5.8220 -5.8217 -5.8109 -5.8105 -3.7502 -3.7499 -3.7026 -3.7002 -1.2000 -1.1944 -1.1629 -1.1618 -0.3391 -0.3376 -0.3261 -0.3157 -0.3005 -0.2897 -0.2610 -0.2364 -0.0496 -0.0302 -0.0160 -0.0075 0.0537 0.0746 0.0760 0.1000 0.1438 0.1615 0.1772 0.2136 2.5138 2.5144 2.5325 2.5350 2.8358 2.8408 2.8740 2.8996 4.0081 4.0090 4.0887 4.0916 4.5337 4.5355 4.6518 4.6602 5.2061 5.2069 5.2861 5.2924 7.8384 7.8385 7.9958 7.9970 8.1271 8.1379 8.2081 8.2119 9.0898 9.1019 k = 0.4578 0.4176 0.0724 ( 5495 PWs) bands (ev): -5.8200 -5.8197 -5.8026 -5.8021 -3.7754 -3.7750 -3.7021 -3.6991 -1.2031 -1.1963 -1.1474 -1.1461 -0.3432 -0.3429 -0.3322 -0.3169 -0.2966 -0.2863 -0.2530 -0.2238 -0.0553 -0.0303 -0.0136 -0.0043 0.0502 0.0732 0.0752 0.0994 0.1402 0.1617 0.2007 0.2365 2.4878 2.4890 2.5090 2.5121 2.8299 2.8365 2.8881 2.9181 3.9685 3.9698 4.0883 4.0919 4.5063 4.5084 4.6855 4.6959 5.1720 5.1731 5.2967 5.3043 7.8192 7.8193 8.0389 8.0402 8.1632 8.1765 8.2617 8.2667 9.1323 9.1474 k = 0.4494 0.4294 0.0868 ( 5495 PWs) bands (ev): -5.8178 -5.8174 -5.7924 -5.7918 -3.8049 -3.8044 -3.7014 -3.6979 -1.2069 -1.1988 -1.1297 -1.1282 -0.3493 -0.3464 -0.3370 -0.3184 -0.2929 -0.2821 -0.2446 -0.2118 -0.0607 -0.0300 -0.0116 -0.0013 0.0473 0.0716 0.0744 0.0980 0.1363 0.1616 0.2306 0.2635 2.4579 2.4618 2.4818 2.4848 2.8227 2.8305 2.9042 2.9376 3.9239 3.9258 4.0878 4.0921 4.4733 4.4755 4.7231 4.7355 5.1319 5.1334 5.3102 5.3191 7.8042 7.8042 8.0904 8.0918 8.2074 8.2229 8.3173 8.3235 9.1847 9.2028 k = 0.4409 0.4411 0.1013 ( 5495 PWs) bands (ev): -5.8153 -5.8149 -5.7804 -5.7796 -3.8382 -3.8376 -3.7005 -3.6965 -1.2113 -1.2022 -1.1104 -1.1087 -0.3555 -0.3496 -0.3410 -0.3198 -0.2895 -0.2774 -0.2360 -0.2005 -0.0657 -0.0292 -0.0103 0.0015 0.0447 0.0695 0.0735 0.0964 0.1323 0.1613 0.2660 0.2951 2.4253 2.4329 2.4519 2.4540 2.8142 2.8230 2.9217 2.9578 3.8756 3.8781 4.0871 4.0921 4.4348 4.4371 4.7636 4.7779 5.0868 5.0886 5.3269 5.3369 7.7932 7.7933 8.1495 8.1509 8.2590 8.2765 8.3741 8.3816 9.2470 9.2681 k = 0.4325 0.4529 0.1158 ( 5499 PWs) bands (ev): -5.8129 -5.8123 -5.7665 -5.7657 -3.8745 -3.8738 -3.6995 -3.6949 -1.2165 -1.2064 -1.0900 -1.0882 -0.3613 -0.3526 -0.3446 -0.3208 -0.2864 -0.2724 -0.2274 -0.1902 -0.0703 -0.0280 -0.0098 0.0044 0.0424 0.0670 0.0728 0.0950 0.1283 0.1609 0.3067 0.3315 2.3906 2.4027 2.4202 2.4203 2.8043 2.8138 2.9402 2.9784 3.8243 3.8276 4.0864 4.0923 4.3913 4.3936 4.8063 4.8223 5.0374 5.0396 5.3467 5.3576 7.7863 7.7866 8.2155 8.2168 8.3177 8.3369 8.4317 8.4406 9.3189 9.3428 k = 0.4241 0.4646 0.1302 ( 5503 PWs) bands (ev): -5.8104 -5.8098 -5.7509 -5.7499 -3.9131 -3.9124 -3.6984 -3.6932 -1.2225 -1.2117 -1.0691 -1.0672 -0.3668 -0.3555 -0.3480 -0.3213 -0.2839 -0.2672 -0.2189 -0.1811 -0.0744 -0.0266 -0.0101 0.0072 0.0402 0.0642 0.0723 0.0938 0.1244 0.1603 0.3523 0.3728 2.3542 2.3718 2.3847 2.3875 2.7929 2.8027 2.9592 2.9992 3.7709 3.7749 4.0860 4.0926 4.3430 4.3453 4.8506 4.8680 4.9846 4.9874 5.3694 5.3811 7.7834 7.7838 8.2875 8.2886 8.3825 8.4028 8.4900 8.5005 9.4001 9.4267 k = 0.4156 0.4764 0.1447 ( 5497 PWs) bands (ev): -5.8082 -5.8076 -5.7334 -5.7323 -3.9534 -3.9526 -3.6972 -3.6914 -1.2295 -1.2181 -1.0481 -1.0461 -0.3717 -0.3583 -0.3511 -0.3213 -0.2817 -0.2620 -0.2105 -0.1732 -0.0780 -0.0248 -0.0112 0.0098 0.0381 0.0610 0.0723 0.0930 0.1208 0.1599 0.4024 0.4188 2.3170 2.3399 2.3485 2.3545 2.7797 2.7897 2.9786 3.0200 3.7159 3.7207 4.0861 4.0936 4.2905 4.2926 4.8954 4.9130 4.9298 4.9343 5.3948 5.4071 7.7843 7.7847 8.3646 8.3655 8.4523 8.4727 8.5497 8.5624 9.4900 9.5191 k = 0.4072 0.4881 0.1592 ( 5495 PWs) bands (ev): -5.8065 -5.8058 -5.7141 -5.7130 -3.9948 -3.9938 -3.6958 -3.6896 -1.2376 -1.2256 -1.0274 -1.0254 -0.3762 -0.3610 -0.3542 -0.3207 -0.2801 -0.2569 -0.2025 -0.1663 -0.0812 -0.0230 -0.0131 0.0123 0.0359 0.0575 0.0726 0.0926 0.1175 0.1594 0.4565 0.4692 2.2795 2.3057 2.3143 2.3217 2.7648 2.7746 2.9980 3.0405 3.6598 3.6656 4.0870 4.0956 4.2342 4.2360 4.8721 4.8756 4.9418 4.9623 5.4226 5.4354 7.7887 7.7892 8.4458 8.4464 8.5248 8.5439 8.6121 8.6281 9.5880 9.6194 k = 0.3987 0.4999 0.1737 ( 5495 PWs) bands (ev): -5.8053 -5.8046 -5.6931 -5.6918 -4.0364 -4.0353 -3.6944 -3.6876 -1.2468 -1.2346 -1.0073 -1.0053 -0.3801 -0.3637 -0.3571 -0.3195 -0.2791 -0.2519 -0.1950 -0.1605 -0.0840 -0.0210 -0.0157 0.0146 0.0335 0.0538 0.0732 0.0928 0.1146 0.1592 0.5141 0.5233 2.2427 2.2695 2.2830 2.2896 2.7479 2.7575 3.0171 3.0605 3.6033 3.6099 4.0890 4.0989 4.1748 4.1761 4.8148 4.8188 4.9873 5.0087 5.4523 5.4655 7.7964 7.7968 8.5299 8.5302 8.5965 8.6125 8.6799 8.7006 9.6933 9.7268 k = 0.3903 0.5117 0.1881 ( 5503 PWs) bands (ev): -5.8050 -5.8042 -5.6703 -5.6689 -4.0777 -4.0765 -3.6929 -3.6856 -1.2572 -1.2449 -0.9879 -0.9859 -0.3837 -0.3664 -0.3599 -0.3177 -0.2787 -0.2471 -0.1879 -0.1555 -0.0864 -0.0192 -0.0187 0.0168 0.0307 0.0502 0.0738 0.0937 0.1123 0.1591 0.5744 0.5804 2.2075 2.2339 2.2534 2.2585 2.7292 2.7383 3.0356 3.0797 3.5467 3.5543 4.0900 4.1032 4.1140 4.1152 4.7576 4.7621 5.0323 5.0546 5.4835 5.4970 7.8070 7.8075 8.6156 8.6157 8.6636 8.6762 8.7560 8.7814 9.8053 9.8407 k = 0.3819 0.5234 0.2026 ( 5503 PWs) bands (ev): -5.8057 -5.8049 -5.6458 -5.6443 -4.1180 -4.1167 -3.6913 -3.6835 -1.2691 -1.2568 -0.9695 -0.9676 -0.3868 -0.3692 -0.3626 -0.3153 -0.2790 -0.2426 -0.1814 -0.1513 -0.0884 -0.0221 -0.0175 0.0190 0.0275 0.0469 0.0742 0.0954 0.1106 0.1592 0.6363 0.6395 2.1749 2.2005 2.2251 2.2287 2.7085 2.7170 3.0532 3.0978 3.4904 3.4990 4.0442 4.0475 4.1019 4.1113 4.7016 4.7066 5.0765 5.0993 5.5156 5.5292 7.8204 7.8208 8.7012 8.7016 8.7251 8.7350 8.8406 8.8695 9.9231 9.9603 k = 0.3734 0.5352 0.2171 ( 5501 PWs) bands (ev): -5.8077 -5.8070 -5.6196 -5.6180 -4.1568 -4.1554 -3.6897 -3.6814 -1.2824 -1.2704 -0.9521 -0.9502 -0.3896 -0.3719 -0.3652 -0.3123 -0.2800 -0.2386 -0.1757 -0.1475 -0.0899 -0.0255 -0.0162 0.0211 0.0239 0.0439 0.0742 0.0978 0.1097 0.1595 0.6986 0.6992 2.1463 2.1707 2.1982 2.2004 2.6860 2.6939 3.0694 3.1143 3.4350 3.4446 3.9779 3.9802 4.1093 4.1206 4.6477 4.6531 5.1192 5.1425 5.5481 5.5617 7.8363 7.8366 8.7811 8.7852 8.7869 8.7902 8.9311 8.9623 10.0460 10.0847 k = 0.3650 0.5469 0.2316 ( 5489 PWs) bands (ev): -5.8114 -5.8106 -5.5916 -5.5900 -4.1935 -4.1920 -3.6880 -3.6793 -1.2973 -1.2858 -0.9356 -0.9338 -0.3920 -0.3746 -0.3676 -0.3089 -0.2817 -0.2349 -0.1707 -0.1443 -0.0911 -0.0285 -0.0157 0.0205 0.0233 0.0415 0.0740 0.1000 0.1102 0.1601 0.7579 0.7599 2.1230 2.1460 2.1727 2.1738 2.6619 2.6690 3.0838 3.1288 3.3806 3.3913 3.9093 3.9112 4.1197 4.1322 4.5970 4.6028 5.1601 5.1837 5.5803 5.5938 7.8544 7.8546 8.8352 8.8421 8.8661 8.8673 9.0249 9.0577 10.1734 10.2130 k = 0.3566 0.5587 0.2460 ( 5497 PWs) bands (ev): -5.8168 -5.8161 -5.5621 -5.5603 -4.2276 -4.2259 -3.6864 -3.6773 -1.3140 -1.3030 -0.9201 -0.9184 -0.3941 -0.3774 -0.3699 -0.3051 -0.2842 -0.2317 -0.1666 -0.1414 -0.0919 -0.0312 -0.0162 0.0176 0.0254 0.0393 0.0736 0.1014 0.1125 0.1608 0.8141 0.8185 2.1064 2.1280 2.1489 2.1493 2.6363 2.6427 3.0959 3.1409 3.3278 3.3396 3.8395 3.8411 4.1323 4.1461 4.5507 4.5566 5.1988 5.2224 5.6117 5.6249 7.8745 7.8746 8.8857 8.8914 8.9413 8.9426 9.1199 9.1538 10.3043 10.3354 k = 0.3481 0.5705 0.2605 ( 5501 PWs) bands (ev): -5.8243 -5.8236 -5.5309 -5.5290 -4.2586 -4.2568 -3.6848 -3.6753 -1.3324 -1.3222 -0.9056 -0.9039 -0.3961 -0.3801 -0.3719 -0.3010 -0.2875 -0.2289 -0.1633 -0.1389 -0.0922 -0.0331 -0.0182 0.0159 0.0274 0.0374 0.0736 0.1019 0.1164 0.1616 0.8656 0.8723 2.0975 2.1176 2.1277 2.1277 2.6097 2.6153 3.1051 3.1498 3.2767 3.2897 3.7687 3.7701 4.1468 4.1618 4.5101 4.5159 5.2348 5.2582 5.6417 5.6546 7.8962 7.8963 8.9331 8.9375 9.0089 9.0100 9.2144 9.2491 10.4245 10.4370 k = 0.3397 0.5822 0.2750 ( 5513 PWs) bands (ev): -5.8341 -5.8334 -5.4980 -5.4961 -4.2861 -4.2841 -3.6832 -3.6733 -1.3527 -1.3434 -0.8920 -0.8903 -0.3979 -0.3827 -0.3737 -0.2967 -0.2914 -0.2266 -0.1610 -0.1368 -0.0922 -0.0343 -0.0215 0.0155 0.0291 0.0358 0.0739 0.1022 0.1212 0.1626 0.9105 0.9194 2.0917 2.1039 2.1153 2.1218 2.5823 2.5872 3.1109 3.1551 3.2276 3.2419 3.6975 3.6986 4.1626 4.1789 4.4767 4.4821 5.2676 5.2907 5.6697 5.6821 7.9192 7.9196 8.9769 8.9801 9.0667 9.0675 9.3069 9.3420 10.4967 10.5554 k = 0.3312 0.5940 0.2894 ( 5517 PWs) bands (ev): -5.8463 -5.8457 -5.4637 -5.4616 -4.3098 -4.3076 -3.6817 -3.6714 -1.3749 -1.3665 -0.8791 -0.8775 -0.3996 -0.3852 -0.3752 -0.2960 -0.2923 -0.2246 -0.1593 -0.1352 -0.0917 -0.0348 -0.0258 0.0163 0.0303 0.0343 0.0750 0.1025 0.1263 0.1636 0.9471 0.9579 2.0775 2.0850 2.1252 2.1347 2.5546 2.5588 3.1128 3.1562 3.1810 3.1965 3.6261 3.6271 4.1784 4.1961 4.4522 4.4570 5.2969 5.3194 5.6951 5.7070 7.9434 7.9440 9.0166 9.0186 9.1132 9.1134 9.3961 9.4314 10.5616 10.6235 k = 0.3228 0.6057 0.3039 ( 5515 PWs) bands (ev): -5.8611 -5.8605 -5.4277 -5.4256 -4.3294 -4.3271 -3.6803 -3.6696 -1.3992 -1.3917 -0.8669 -0.8653 -0.4013 -0.3876 -0.3762 -0.3010 -0.2879 -0.2229 -0.1582 -0.1341 -0.0910 -0.0347 -0.0305 0.0178 0.0309 0.0329 0.0768 0.1032 0.1316 0.1647 0.9740 0.9864 2.0601 2.0669 2.1530 2.1614 2.5271 2.5307 3.1102 3.1369 3.1517 3.1547 3.5549 3.5557 4.1932 4.2122 4.4384 4.4423 5.3221 5.3439 5.7175 5.7287 7.9685 7.9693 9.0516 9.0525 9.1472 9.1476 9.4811 9.5163 10.6278 10.6848 k = 0.3144 0.6175 0.3184 ( 5511 PWs) bands (ev): -5.8785 -5.8779 -5.3903 -5.3880 -4.3448 -4.3422 -3.6789 -3.6679 -1.4254 -1.4190 -0.8554 -0.8538 -0.4030 -0.3898 -0.3769 -0.3064 -0.2836 -0.2213 -0.1576 -0.1335 -0.0902 -0.0352 -0.0340 0.0198 0.0307 0.0319 0.0792 0.1044 0.1368 0.1658 0.9908 1.0042 2.0430 2.0497 2.1953 2.2022 2.5004 2.5034 3.0953 3.1034 3.1138 3.1443 3.4842 3.4847 4.2057 4.2258 4.4367 4.4397 5.3429 5.3638 5.7365 5.7469 7.9941 7.9953 9.0816 9.0817 9.1693 9.1703 9.5614 9.5964 10.7012 10.7530 k = 0.3144 0.6175 0.3184 ( 5511 PWs) bands (ev): -5.8785 -5.8779 -5.3903 -5.3880 -4.3448 -4.3422 -3.6789 -3.6679 -1.4254 -1.4190 -0.8554 -0.8538 -0.4030 -0.3898 -0.3769 -0.3064 -0.2836 -0.2213 -0.1576 -0.1335 -0.0902 -0.0352 -0.0340 0.0198 0.0307 0.0319 0.0792 0.1044 0.1368 0.1658 0.9908 1.0042 2.0430 2.0497 2.1953 2.2022 2.5004 2.5034 3.0953 3.1034 3.1138 3.1443 3.4842 3.4847 4.2057 4.2258 4.4367 4.4397 5.3429 5.3638 5.7365 5.7469 7.9941 7.9953 9.0816 9.0817 9.1693 9.1703 9.5614 9.5964 10.7012 10.7530 k = 0.2959 0.6122 0.3249 ( 5515 PWs) bands (ev): -5.8891 -5.8885 -5.3710 -5.3687 -4.3490 -4.3463 -3.6789 -3.6677 -1.4396 -1.4337 -0.8499 -0.8480 -0.4038 -0.3908 -0.3770 -0.3097 -0.2813 -0.2200 -0.1578 -0.1334 -0.0896 -0.0377 -0.0333 0.0208 0.0290 0.0329 0.0807 0.1053 0.1384 0.1674 0.9943 1.0086 2.0344 2.0425 2.2188 2.2258 2.4852 2.4884 3.0706 3.0717 3.1240 3.1444 3.4583 3.4596 4.2091 4.2296 4.4403 4.4436 5.3428 5.3633 5.7491 5.7591 8.0097 8.0112 9.0863 9.0948 9.1748 9.1783 9.5998 9.6343 10.7389 10.7883 k = 0.2774 0.6069 0.3314 ( 5511 PWs) bands (ev): -5.9030 -5.9025 -5.3485 -5.3462 -4.3498 -4.3468 -3.6801 -3.6688 -1.4575 -1.4520 -0.8434 -0.8411 -0.4044 -0.3920 -0.3772 -0.3142 -0.2779 -0.2176 -0.1586 -0.1335 -0.0889 -0.0406 -0.0322 0.0218 0.0270 0.0346 0.0829 0.1068 0.1387 0.1714 0.9947 1.0108 2.0267 2.0368 2.2425 2.2502 2.4640 2.4682 3.0315 3.0413 3.1382 3.1481 3.4457 3.4492 4.2096 4.2306 4.4465 4.4511 5.3285 5.3484 5.7685 5.7781 8.0332 8.0352 9.0852 9.1016 9.1804 9.1869 9.6447 9.6785 10.7773 10.8209 k = 0.2589 0.6017 0.3379 ( 5511 PWs) bands (ev): -5.9190 -5.9185 -5.3245 -5.3222 -4.3468 -4.3434 -3.6828 -3.6712 -1.4784 -1.4734 -0.8362 -0.8333 -0.4050 -0.3932 -0.3774 -0.3196 -0.2738 -0.2144 -0.1598 -0.1339 -0.0881 -0.0439 -0.0310 0.0215 0.0266 0.0362 0.0853 0.1095 0.1381 0.1772 0.9929 1.0112 2.0211 2.0327 2.2632 2.2719 2.4390 2.4442 2.9904 3.0062 3.1517 3.1549 3.4472 3.4537 4.2075 4.2290 4.4550 4.4614 5.3040 5.3233 5.7897 5.7984 8.0643 8.0667 9.0818 9.1040 9.1880 9.1956 9.6964 9.7292 10.8069 10.8386 k = 0.2404 0.5964 0.3444 ( 5509 PWs) bands (ev): -5.9361 -5.9356 -5.3004 -5.2981 -4.3398 -4.3359 -3.6870 -3.6753 -1.5018 -1.4972 -0.8286 -0.8251 -0.4053 -0.3943 -0.3777 -0.3255 -0.2690 -0.2106 -0.1613 -0.1345 -0.0874 -0.0474 -0.0297 0.0193 0.0283 0.0380 0.0876 0.1137 0.1372 0.1843 0.9896 1.0102 2.0176 2.0302 2.2780 2.2885 2.4129 2.4186 2.9480 2.9671 3.1641 3.1684 3.4611 3.4704 4.2026 4.2246 4.4658 4.4741 5.2727 5.2915 5.8084 5.8160 8.1026 8.1055 9.0797 9.1058 9.1964 9.2037 9.7550 9.7873 10.8215 10.8407 k = 0.2219 0.5911 0.3509 ( 5502 PWs) bands (ev): -5.9534 -5.9529 -5.2770 -5.2749 -4.3288 -4.3244 -3.6930 -3.6811 -1.5270 -1.5228 -0.8209 -0.8168 -0.4056 -0.3955 -0.3781 -0.3317 -0.2636 -0.2064 -0.1630 -0.1355 -0.0869 -0.0510 -0.0284 0.0164 0.0308 0.0398 0.0893 0.1196 0.1368 0.1923 0.9855 1.0082 2.0154 2.0285 2.2831 2.2977 2.3889 2.3954 2.9059 2.9266 3.1798 3.1861 3.4844 3.4960 4.1951 4.2175 4.4795 4.4893 5.2371 5.2552 5.8214 5.8279 8.1479 8.1510 9.0813 9.1102 9.2051 9.2109 9.8206 9.8530 10.8225 10.8338 k = 0.2034 0.5858 0.3574 ( 5506 PWs) bands (ev): -5.9704 -5.9700 -5.2553 -5.2532 -4.3138 -4.3088 -3.7008 -3.6887 -1.5533 -1.5495 -0.8132 -0.8087 -0.4057 -0.3966 -0.3786 -0.3379 -0.2578 -0.2020 -0.1648 -0.1368 -0.0867 -0.0546 -0.0271 0.0133 0.0336 0.0417 0.0906 0.1253 0.1386 0.2009 0.9811 1.0055 2.0136 2.0267 2.2760 2.2966 2.3696 2.3792 2.8661 2.8871 3.1999 3.2071 3.5145 3.5275 4.1851 4.2076 4.4962 4.5072 5.1988 5.2161 5.8269 5.8326 8.1994 8.2030 9.0874 9.1178 9.2145 9.2180 9.8930 9.9260 10.8149 10.8227 k = 0.1849 0.5805 0.3638 ( 5505 PWs) bands (ev): -5.9867 -5.9863 -5.2356 -5.2336 -4.2948 -4.2893 -3.7105 -3.6983 -1.5802 -1.5767 -0.8058 -0.8010 -0.4057 -0.3975 -0.3792 -0.3441 -0.2516 -0.1976 -0.1666 -0.1383 -0.0867 -0.0580 -0.0258 0.0102 0.0365 0.0435 0.0917 0.1274 0.1458 0.2099 0.9767 1.0024 2.0113 2.0238 2.2584 2.2837 2.3571 2.3704 2.8303 2.8505 3.2239 3.2311 3.5488 3.5625 4.1730 4.1955 4.5160 4.5279 5.1590 5.1755 5.8239 5.8293 8.2569 8.2610 9.0971 9.1275 9.2257 9.2272 9.9711 10.0056 10.8029 10.8096 k = 0.1664 0.5753 0.3703 ( 5511 PWs) bands (ev): -6.0020 -6.0017 -5.2182 -5.2164 -4.2723 -4.2662 -3.7224 -3.7101 -1.6068 -1.6036 -0.7988 -0.7938 -0.4056 -0.3984 -0.3800 -0.3501 -0.2453 -0.1933 -0.1684 -0.1401 -0.0870 -0.0614 -0.0247 0.0071 0.0393 0.0454 0.0928 0.1270 0.1570 0.2191 0.9728 0.9990 2.0077 2.0191 2.2357 2.2627 2.3496 2.3648 2.7991 2.8180 3.2510 3.2578 3.5849 3.5988 4.1596 4.1818 4.5389 4.5511 5.1187 5.1342 5.8122 5.8182 8.3197 8.3247 9.1082 9.1365 9.2371 9.2440 10.0540 10.0909 10.7892 10.7957 k = 0.1479 0.5700 0.3768 ( 5514 PWs) bands (ev): -6.0161 -6.0158 -5.2032 -5.2016 -4.2466 -4.2399 -3.7363 -3.7240 -1.6327 -1.6297 -0.7922 -0.7872 -0.4053 -0.3991 -0.3808 -0.3557 -0.2388 -0.1894 -0.1701 -0.1420 -0.0873 -0.0646 -0.0236 0.0041 0.0419 0.0473 0.0940 0.1258 0.1700 0.2282 0.9694 0.9956 2.0023 2.0120 2.2118 2.2382 2.3445 2.3603 2.7729 2.7899 3.2804 3.2866 3.6209 3.6344 4.1462 4.1678 4.5640 4.5764 5.0789 5.0933 5.7927 5.7995 8.3874 8.3935 9.1176 9.1422 9.2528 9.2670 10.1398 10.1803 10.7753 10.7819 k = 0.1294 0.5647 0.3833 ( 5516 PWs) bands (ev): -6.0289 -6.0286 -5.1906 -5.1891 -4.2182 -4.2110 -3.7523 -3.7401 -1.6571 -1.6544 -0.7863 -0.7814 -0.4049 -0.3996 -0.3816 -0.3610 -0.2325 -0.1861 -0.1714 -0.1440 -0.0877 -0.0677 -0.0225 0.0012 0.0443 0.0491 0.0953 0.1242 0.1839 0.2368 0.9667 0.9921 1.9951 2.0029 2.1884 2.2128 2.3412 2.3566 2.7510 2.7660 3.3114 3.3170 3.6542 3.6669 4.1344 4.1552 4.5906 4.6027 5.0408 5.0540 5.7667 5.7743 8.4591 8.4666 9.1231 9.1439 9.2729 9.2942 10.2262 10.2716 10.7617 10.7688 k = 0.1110 0.5594 0.3898 ( 5520 PWs) bands (ev): -6.0401 -6.0398 -5.1802 -5.1789 -4.1880 -4.1803 -3.7703 -3.7583 -1.6794 -1.6771 -0.7809 -0.7765 -0.4044 -0.4000 -0.3825 -0.3659 -0.2262 -0.1839 -0.1718 -0.1461 -0.0880 -0.0706 -0.0215 -0.0015 0.0463 0.0507 0.0969 0.1225 0.1979 0.2448 0.9648 0.9886 1.9865 1.9925 2.1663 2.1876 2.3401 2.3542 2.7329 2.7457 3.3432 3.3482 3.6826 3.6939 4.1261 4.1455 4.6170 4.6285 5.0060 5.0175 5.7361 5.7443 8.5339 8.5431 9.1238 9.1418 9.2954 9.3220 10.3092 10.3613 10.7484 10.7567 k = 0.0925 0.5542 0.3963 ( 5516 PWs) bands (ev): -6.0497 -6.0495 -5.1718 -5.1707 -4.1566 -4.1487 -3.7900 -3.7783 -1.6993 -1.6973 -0.7763 -0.7723 -0.4038 -0.4001 -0.3833 -0.3702 -0.2203 -0.1835 -0.1709 -0.1482 -0.0881 -0.0734 -0.0204 -0.0041 0.0481 0.0520 0.0987 0.1207 0.2116 0.2517 0.9638 0.9851 1.9771 1.9819 2.1459 2.1635 2.3411 2.3533 2.7179 2.7286 3.3749 3.3792 3.7038 3.7133 4.1227 4.1403 4.6414 4.6518 4.9763 4.9858 5.7029 5.7113 8.6104 8.6213 9.1197 9.1362 9.3169 9.3462 10.3825 10.4429 10.7346 10.7446 k = 0.0740 0.5489 0.4028 ( 5512 PWs) bands (ev): -6.0576 -6.0574 -5.1653 -5.1644 -4.1251 -4.1171 -3.8107 -3.7997 -1.7162 -1.7145 -0.7724 -0.7690 -0.4031 -0.4002 -0.3840 -0.3741 -0.2146 -0.1846 -0.1689 -0.1503 -0.0879 -0.0760 -0.0193 -0.0064 0.0496 0.0531 0.1007 0.1188 0.2244 0.2572 0.9635 0.9816 1.9680 1.9720 2.1277 2.1416 2.3439 2.3538 2.7057 2.7143 3.4053 3.4090 3.7169 3.7242 4.1250 4.1401 4.6615 4.6702 4.9536 4.9608 5.6698 5.6778 8.6868 8.6995 9.1109 9.1268 9.3344 9.3635 10.4381 10.5049 10.7209 10.7296 k = 0.0555 0.5436 0.4093 ( 5517 PWs) bands (ev): -6.0638 -6.0637 -5.1604 -5.1597 -4.0948 -4.0872 -3.8316 -3.8217 -1.7296 -1.7283 -0.7692 -0.7666 -0.4024 -0.4002 -0.3845 -0.3774 -0.2093 -0.1867 -0.1664 -0.1524 -0.0875 -0.0785 -0.0181 -0.0086 0.0510 0.0537 0.1029 0.1167 0.2359 0.2609 0.9639 0.9783 1.9601 1.9636 2.1127 2.1228 2.3476 2.3552 2.6963 2.7028 3.4329 3.4359 3.7221 3.7273 4.1318 4.1438 4.6754 4.6821 4.9393 4.9441 5.6397 5.6466 8.7605 8.7746 9.0971 9.1130 9.3466 9.3721 10.4722 10.5357 10.7101 10.7143 k = 0.0370 0.5383 0.4158 ( 5516 PWs) bands (ev): -6.0683 -6.0682 -5.1570 -5.1565 -4.0678 -4.0613 -3.8506 -3.8426 -1.7394 -1.7385 -0.7668 -0.7650 -0.4017 -0.4002 -0.3847 -0.3802 -0.2045 -0.1894 -0.1638 -0.1545 -0.0868 -0.0807 -0.0169 -0.0106 0.0521 0.0540 0.1052 0.1145 0.2457 0.2625 0.9651 0.9750 1.9543 1.9569 2.1016 2.1083 2.3514 2.3565 2.6896 2.6940 3.4558 3.4579 3.7220 3.7251 4.1408 4.1491 4.6829 4.6873 4.9326 4.9353 5.6156 5.6207 8.8278 8.8423 9.0785 9.0938 9.3539 9.3728 10.4907 10.5386 10.7035 10.7047 k = 0.0185 0.5331 0.4223 ( 5514 PWs) bands (ev): -6.0710 -6.0709 -5.1550 -5.1547 -4.0473 -4.0434 -3.8642 -3.8594 -1.7453 -1.7448 -0.7651 -0.7642 -0.4011 -0.4003 -0.3845 -0.3822 -0.2001 -0.1925 -0.1613 -0.1567 -0.0858 -0.0827 -0.0155 -0.0124 0.0530 0.0540 0.1076 0.1123 0.2534 0.2619 0.9669 0.9720 1.9511 1.9525 2.0952 2.0986 2.3546 2.3571 2.6859 2.6881 3.4715 3.4726 3.7198 3.7213 4.1487 4.1530 4.6860 4.6882 4.9309 4.9321 5.6003 5.6030 8.8826 8.8938 9.0592 9.0708 9.3587 9.3687 10.5032 10.5285 10.7000 10.7003 k = 0.0000 0.5278 0.4288 ( 5510 PWs) bands (ev): -6.0718 -6.0718 -5.1542 -5.1542 -4.0381 -4.0381 -3.8677 -3.8677 -1.7471 -1.7471 -0.7643 -0.7643 -0.4006 -0.4006 -0.3837 -0.3837 -0.1960 -0.1960 -0.1589 -0.1589 -0.0844 -0.0844 -0.0140 -0.0140 0.0536 0.0536 0.1099 0.1099 0.2589 0.2589 0.9692 0.9692 1.9505 1.9505 2.0941 2.0941 2.3565 2.3565 2.6854 2.6854 3.4774 3.4774 3.7191 3.7191 4.1531 4.1531 4.6873 4.6873 4.9311 4.9311 5.5959 5.5959 8.9106 8.9106 9.0538 9.0538 9.3633 9.3633 10.5155 10.5155 10.6989 10.6989 k = 0.0000 0.5278 0.4288 ( 5510 PWs) bands (ev): -6.0718 -6.0718 -5.1542 -5.1542 -4.0381 -4.0381 -3.8677 -3.8677 -1.7471 -1.7471 -0.7643 -0.7643 -0.4006 -0.4006 -0.3837 -0.3837 -0.1960 -0.1960 -0.1589 -0.1589 -0.0844 -0.0844 -0.0140 -0.0140 0.0536 0.0536 0.1099 0.1099 0.2589 0.2589 0.9692 0.9692 1.9505 1.9505 2.0941 2.0941 2.3565 2.3565 2.6854 2.6854 3.4774 3.4774 3.7191 3.7191 4.1531 4.1531 4.6873 4.6873 4.9311 4.9311 5.5959 5.5959 8.9106 8.9106 9.0538 9.0538 9.3633 9.3633 10.5155 10.5155 10.6989 10.6989 k = 0.0086 0.5158 0.4436 ( 5516 PWs) bands (ev): -6.0710 -6.0710 -5.1542 -5.1542 -4.0393 -4.0388 -3.8682 -3.8679 -1.7462 -1.7460 -0.7653 -0.7638 -0.4009 -0.4003 -0.3839 -0.3832 -0.1990 -0.1934 -0.1594 -0.1587 -0.0848 -0.0839 -0.0150 -0.0130 0.0531 0.0539 0.1079 0.1118 0.2571 0.2590 0.9638 0.9641 1.9460 1.9478 2.0932 2.0946 2.3594 2.3635 2.6800 2.6830 3.4783 3.4835 3.7211 3.7286 4.1570 4.1577 4.6892 4.6895 4.9302 4.9333 5.5947 5.5953 8.9060 8.9070 9.0527 9.0536 9.3622 9.3642 10.5179 10.5198 10.6998 10.7011 k = 0.0172 0.5038 0.4584 ( 5516 PWs) bands (ev): -6.0685 -6.0685 -5.1540 -5.1540 -4.0423 -4.0413 -3.8692 -3.8687 -1.7432 -1.7429 -0.7670 -0.7640 -0.4012 -0.3998 -0.3838 -0.3825 -0.2021 -0.1909 -0.1600 -0.1587 -0.0850 -0.0834 -0.0159 -0.0120 0.0525 0.0541 0.1058 0.1136 0.2539 0.2576 0.9482 0.9489 1.9340 1.9373 2.0918 2.0942 2.3723 2.3802 2.6678 2.6733 3.4861 3.4964 3.7340 3.7488 4.1691 4.1704 4.6950 4.6956 4.9308 4.9370 5.5917 5.5929 8.8936 8.8956 9.0503 9.0521 9.3608 9.3649 10.5266 10.5304 10.7037 10.7064 k = 0.0259 0.4917 0.4732 ( 5514 PWs) bands (ev): -6.0644 -6.0644 -5.1538 -5.1538 -4.0471 -4.0457 -3.8708 -3.8701 -1.7382 -1.7378 -0.7692 -0.7647 -0.4013 -0.3994 -0.3836 -0.3815 -0.2055 -0.1887 -0.1607 -0.1590 -0.0852 -0.0828 -0.0167 -0.0109 0.0517 0.0542 0.1035 0.1153 0.2492 0.2547 0.9236 0.9247 1.9141 1.9184 2.0888 2.0919 2.3952 2.4066 2.6513 2.6588 3.5007 3.5158 3.7565 3.7779 4.1892 4.1911 4.7046 4.7056 4.9331 4.9423 5.5868 5.5888 8.8742 8.8770 9.0466 9.0492 9.3593 9.3654 10.5402 10.5460 10.7109 10.7149 k = 0.0345 0.4797 0.4879 ( 5510 PWs) bands (ev): -6.0587 -6.0586 -5.1535 -5.1535 -4.0537 -4.0517 -3.8731 -3.8722 -1.7312 -1.7308 -0.7721 -0.7661 -0.4014 -0.3989 -0.3831 -0.3803 -0.2092 -0.1868 -0.1615 -0.1595 -0.0852 -0.0821 -0.0175 -0.0099 0.0507 0.0540 0.1012 0.1168 0.2432 0.2505 0.8914 0.8930 1.8859 1.8908 2.0824 2.0861 2.4274 2.4419 2.6345 2.6431 3.5217 3.5411 3.7863 3.8135 4.2167 4.2191 4.7178 4.7191 4.9376 4.9497 5.5801 5.5828 8.8488 8.8524 9.0415 9.0448 9.3581 9.3661 10.5572 10.5649 10.7215 10.7267 k = 0.0431 0.4677 0.5027 ( 5502 PWs) bands (ev): -6.0513 -6.0512 -5.1533 -5.1533 -4.0617 -4.0594 -3.8760 -3.8749 -1.7223 -1.7217 -0.7756 -0.7682 -0.4014 -0.3984 -0.3825 -0.3788 -0.2131 -0.1852 -0.1624 -0.1602 -0.0851 -0.0815 -0.0182 -0.0088 0.0495 0.0538 0.0989 0.1181 0.2361 0.2450 0.8534 0.8557 1.8496 1.8550 2.0704 2.0747 2.4677 2.4850 2.6215 2.6305 3.5487 3.5720 3.8210 3.8532 4.2509 4.2537 4.7341 4.7357 4.9451 4.9597 5.5716 5.5751 8.8190 8.8232 9.0350 9.0389 9.3572 9.3672 10.5755 10.5850 10.7353 10.7416 k = 0.0517 0.4557 0.5175 ( 5506 PWs) bands (ev): -6.0423 -6.0422 -5.1533 -5.1532 -4.0712 -4.0684 -3.8796 -3.8782 -1.7114 -1.7109 -0.7798 -0.7709 -0.4012 -0.3979 -0.3818 -0.3771 -0.2173 -0.1840 -0.1634 -0.1610 -0.0849 -0.0808 -0.0189 -0.0078 0.0480 0.0533 0.0964 0.1192 0.2281 0.2386 0.8113 0.8143 1.8063 1.8119 2.0505 2.0555 2.5141 2.5338 2.6164 2.6252 3.5813 3.6081 3.8582 3.8947 4.2910 4.2941 4.7531 4.7549 4.9563 4.9731 5.5612 5.5657 8.7861 8.7908 9.0271 9.0313 9.3571 9.3689 10.5934 10.6043 10.7515 10.7587 k = 0.0603 0.4437 0.5323 ( 5518 PWs) bands (ev): -6.0317 -6.0316 -5.1535 -5.1534 -4.0819 -4.0787 -3.8838 -3.8822 -1.6986 -1.6981 -0.7847 -0.7743 -0.4009 -0.3974 -0.3809 -0.3751 -0.2219 -0.1833 -0.1644 -0.1618 -0.0845 -0.0801 -0.0195 -0.0068 0.0463 0.0527 0.0939 0.1199 0.2194 0.2313 0.7667 0.7705 1.7571 1.7627 2.0212 2.0270 2.5639 2.5848 2.6237 2.6309 3.6195 3.6490 3.8957 3.9358 4.3359 4.3392 4.7740 4.7757 4.9726 4.9908 5.5491 5.5546 8.7514 8.7565 9.0176 9.0221 9.3579 9.3715 10.6090 10.6209 10.7641 10.7735 k = 0.0690 0.4317 0.5471 ( 5516 PWs) bands (ev): -6.0195 -6.0194 -5.1541 -5.1539 -4.0935 -4.0899 -3.8888 -3.8869 -1.6841 -1.6836 -0.7903 -0.7785 -0.4005 -0.3968 -0.3799 -0.3730 -0.2267 -0.1834 -0.1653 -0.1624 -0.0839 -0.0794 -0.0200 -0.0058 0.0443 0.0519 0.0914 0.1204 0.2102 0.2235 0.7210 0.7255 1.7033 1.7088 1.9827 1.9892 2.6121 2.6247 2.6521 2.6559 3.6629 3.6947 3.9319 3.9746 4.3845 4.3881 4.7961 4.7973 4.9948 5.0135 5.5353 5.5419 8.7163 8.7216 9.0067 9.0110 9.3598 9.3752 10.6195 10.6315 10.7326 10.7526 k = 0.0776 0.4197 0.5619 ( 5516 PWs) bands (ev): -6.0058 -6.0057 -5.1552 -5.1550 -4.1059 -4.1019 -3.8944 -3.8923 -1.6678 -1.6674 -0.7966 -0.7835 -0.3999 -0.3961 -0.3789 -0.3707 -0.2318 -0.1843 -0.1662 -0.1627 -0.0832 -0.0787 -0.0205 -0.0050 0.0420 0.0508 0.0888 0.1204 0.2008 0.2153 0.6754 0.6806 1.6461 1.6513 1.9360 1.9430 2.6519 2.6544 2.6938 2.7099 3.7114 3.7449 3.9653 4.0099 4.4358 4.4397 4.8190 4.8191 5.0236 5.0417 5.5201 5.5279 8.6818 8.6871 8.9941 8.9981 9.3629 9.3800 10.6108 10.6126 10.6813 10.6933 k = 0.0862 0.4076 0.5767 ( 5520 PWs) bands (ev): -5.9906 -5.9904 -5.1570 -5.1568 -4.1186 -4.1143 -3.9007 -3.8985 -1.6497 -1.6496 -0.8038 -0.7893 -0.3992 -0.3955 -0.3777 -0.3683 -0.2372 -0.1862 -0.1670 -0.1625 -0.0822 -0.0780 -0.0210 -0.0042 0.0394 0.0493 0.0863 0.1200 0.1913 0.2070 0.6309 0.6366 1.5866 1.5914 1.8830 1.8903 2.6897 2.6899 2.7469 2.7675 3.7648 3.7994 3.9948 4.0405 4.4886 4.4928 4.8411 4.8424 5.0589 5.0756 5.5035 5.5128 8.6487 8.6539 8.9799 8.9834 9.3671 9.3860 10.5368 10.5499 10.6741 10.6761 k = 0.0948 0.3956 0.5914 ( 5526 PWs) bands (ev): -5.9739 -5.9737 -5.1597 -5.1595 -4.1314 -4.1268 -3.9078 -3.9053 -1.6302 -1.6301 -0.8118 -0.7960 -0.3983 -0.3948 -0.3766 -0.3658 -0.2429 -0.1888 -0.1678 -0.1618 -0.0810 -0.0774 -0.0216 -0.0036 0.0365 0.0476 0.0838 0.1190 0.1820 0.1988 0.5883 0.5945 1.5256 1.5300 1.8253 1.8328 2.7318 2.7326 2.8025 2.8250 3.8228 3.8579 4.0198 4.0657 4.5417 4.5464 4.8635 4.8663 5.1001 5.1146 5.4861 5.4970 8.6178 8.6228 8.9640 8.9668 9.3724 9.3932 10.4469 10.4634 10.6699 10.6744 k = 0.1034 0.3836 0.6062 ( 5532 PWs) bands (ev): -5.9557 -5.9555 -5.1635 -5.1633 -4.1441 -4.1392 -3.9156 -3.9129 -1.6094 -1.6090 -0.8208 -0.8038 -0.3974 -0.3942 -0.3754 -0.3632 -0.2489 -0.1922 -0.1685 -0.1609 -0.0796 -0.0769 -0.0222 -0.0032 0.0333 0.0455 0.0814 0.1172 0.1729 0.1909 0.5484 0.5547 1.4642 1.4680 1.7647 1.7721 2.7798 2.7804 2.8581 2.8812 3.8849 3.9198 4.0398 4.0851 4.5941 4.5994 4.8871 4.8912 5.1458 5.1578 5.4682 5.4808 8.5896 8.5943 8.9463 8.9482 9.3786 9.4013 10.3549 10.3725 10.6292 10.6373 k = 0.1121 0.3716 0.6210 ( 5538 PWs) bands (ev): -5.9361 -5.9359 -5.1686 -5.1684 -4.1562 -4.1511 -3.9242 -3.9213 -1.5871 -1.5864 -0.8307 -0.8125 -0.3963 -0.3935 -0.3742 -0.3607 -0.2552 -0.1959 -0.1692 -0.1598 -0.0779 -0.0764 -0.0230 -0.0030 0.0298 0.0430 0.0790 0.1147 0.1643 0.1835 0.5117 0.5178 1.4030 1.4062 1.7023 1.7095 2.8325 2.8326 2.9126 2.9357 3.9502 3.9838 4.0552 4.0987 4.6449 4.6509 4.9123 4.9174 5.1947 5.2040 5.4505 5.4651 8.5643 8.5687 8.9268 8.9278 9.3854 9.4103 10.2634 10.2812 10.5839 10.5923 k = 0.1207 0.3596 0.6358 ( 5536 PWs) bands (ev): -5.9152 -5.9150 -5.1752 -5.1749 -4.1675 -4.1621 -3.9335 -3.9304 -1.5637 -1.5625 -0.8415 -0.8224 -0.3951 -0.3927 -0.3729 -0.3583 -0.2616 -0.1998 -0.1697 -0.1586 -0.0760 -0.0760 -0.0240 -0.0031 0.0261 0.0402 0.0767 0.1112 0.1563 0.1769 0.4787 0.4842 1.3427 1.3452 1.6391 1.6461 2.8880 2.8891 2.9659 2.9880 4.0176 4.0441 4.0709 4.1068 4.6931 4.6998 4.9396 4.9453 5.2453 5.2518 5.4339 5.4505 8.5424 8.5463 8.9053 8.9054 9.3924 9.4197 10.1734 10.1910 10.5368 10.5458 k = 0.1293 0.3476 0.6506 ( 5534 PWs) bands (ev): -5.8930 -5.8927 -5.1834 -5.1831 -4.1776 -4.1721 -3.9436 -3.9403 -1.5390 -1.5374 -0.8535 -0.8334 -0.3938 -0.3920 -0.3715 -0.3561 -0.2683 -0.2037 -0.1702 -0.1574 -0.0757 -0.0739 -0.0253 -0.0037 0.0223 0.0373 0.0743 0.1066 0.1493 0.1711 0.4495 0.4539 1.2840 1.2858 1.5760 1.5826 2.9457 2.9484 3.0178 3.0383 4.0639 4.0845 4.1110 4.1223 4.7382 4.7456 4.9690 4.9750 5.2960 5.3000 5.4193 5.4378 8.5237 8.5273 8.8810 8.8818 9.3991 9.4291 10.0856 10.1028 10.4870 10.4963 k = 0.1379 0.3356 0.6654 ( 5530 PWs) bands (ev): -5.8695 -5.8692 -5.1934 -5.1932 -4.1864 -4.1807 -3.9544 -3.9509 -1.5133 -1.5111 -0.8665 -0.8456 -0.3926 -0.3913 -0.3701 -0.3542 -0.2751 -0.2075 -0.1707 -0.1564 -0.0754 -0.0716 -0.0270 -0.0048 0.0186 0.0343 0.0719 0.1011 0.1434 0.1666 0.4241 0.4268 1.2276 1.2286 1.5136 1.5199 3.0043 3.0096 3.0690 3.0864 4.0656 4.1060 4.1547 4.1859 4.7801 4.7880 5.0003 5.0065 5.3455 5.3471 5.4077 5.4281 8.5084 8.5115 8.8549 8.8565 9.4050 9.4376 10.0005 10.0171 10.4356 10.4451 k = 0.1466 0.3236 0.6802 ( 5534 PWs) bands (ev): -5.8448 -5.8446 -5.2054 -5.2051 -4.1935 -4.1877 -3.9659 -3.9623 -1.4866 -1.4838 -0.8807 -0.8592 -0.3913 -0.3906 -0.3687 -0.3526 -0.2819 -0.2108 -0.1711 -0.1556 -0.0753 -0.0692 -0.0291 -0.0066 0.0152 0.0314 0.0694 0.0948 0.1388 0.1632 0.4025 0.4029 1.1741 1.1743 1.4524 1.4582 3.0623 3.0720 3.1202 3.1328 4.0624 4.1008 4.2175 4.2463 4.8195 4.8273 5.0335 5.0397 5.3910 5.3913 5.4015 5.4226 8.4962 8.4990 8.8271 8.8295 9.4091 9.4445 9.9187 9.9344 10.3862 10.3962 k = 0.1552 0.3115 0.6949 ( 5530 PWs) bands (ev): -5.8190 -5.8188 -5.2193 -5.2191 -4.1988 -4.1929 -3.9781 -3.9743 -1.4592 -1.4557 -0.8961 -0.8740 -0.3901 -0.3899 -0.3671 -0.3515 -0.2887 -0.2135 -0.1715 -0.1552 -0.0752 -0.0667 -0.0316 -0.0090 0.0123 0.0289 0.0668 0.0880 0.1357 0.1610 0.3817 0.3841 1.1235 1.1240 1.3928 1.3983 3.1176 3.1343 3.1727 3.1779 4.0561 4.0920 4.2740 4.2995 4.8579 4.8649 5.0681 5.0743 5.3952 5.4161 5.4371 5.4373 8.4870 8.4895 8.7981 8.8011 9.4109 9.4487 9.8406 9.8553 10.3430 10.3537 k = 0.1638 0.2995 0.7097 ( 5522 PWs) bands (ev): -5.7922 -5.7919 -5.2354 -5.2352 -4.2022 -4.1962 -3.9910 -3.9870 -1.4310 -1.4268 -0.9126 -0.8902 -0.3892 -0.3890 -0.3654 -0.3510 -0.2953 -0.2155 -0.1719 -0.1552 -0.0752 -0.0643 -0.0344 -0.0119 0.0098 0.0269 0.0642 0.0810 0.1341 0.1601 0.3628 0.3684 1.0768 1.0780 1.3353 1.3403 3.1686 3.1945 3.2232 3.2274 4.0475 4.0810 4.3205 4.3422 4.8977 4.9032 5.1037 5.1098 5.3959 5.4187 5.4731 5.4762 8.4806 8.4827 8.7681 8.7717 9.4094 9.4492 9.7667 9.7800 10.3092 10.3205 k = 0.1724 0.2875 0.7245 ( 5526 PWs) bands (ev): -5.7644 -5.7642 -5.2535 -5.2533 -4.2035 -4.1974 -4.0044 -4.0002 -1.4023 -1.3972 -0.9304 -0.9078 -0.3886 -0.3881 -0.3637 -0.3510 -0.3017 -0.2167 -0.1723 -0.1558 -0.0751 -0.0622 -0.0373 -0.0148 0.0077 0.0256 0.0615 0.0741 0.1341 0.1603 0.3456 0.3549 1.0348 1.0366 1.2801 1.2848 3.2152 3.2476 3.2729 3.2836 4.0378 4.0687 4.3535 4.3713 4.9414 4.9448 5.1397 5.1459 5.4001 5.4230 5.5050 5.5095 8.4766 8.4786 8.7379 8.7418 9.4044 9.4452 9.6974 9.7092 10.2871 10.2983 k = 0.1810 0.2755 0.7393 ( 5530 PWs) bands (ev): -5.7358 -5.7355 -5.2736 -5.2735 -4.2028 -4.1967 -4.0183 -4.0140 -1.3731 -1.3672 -0.9493 -0.9267 -0.3879 -0.3872 -0.3619 -0.3515 -0.3078 -0.2171 -0.1728 -0.1571 -0.0749 -0.0606 -0.0402 -0.0172 0.0059 0.0250 0.0587 0.0676 0.1356 0.1616 0.3295 0.3430 0.9982 1.0005 1.2276 1.2319 3.2582 3.2914 3.3280 3.3394 4.0282 4.0564 4.3713 4.3852 4.9906 4.9918 5.1757 5.1819 5.4067 5.4291 5.5309 5.5363 8.4750 8.4768 8.7078 8.7120 9.3957 9.4365 9.6332 9.6432 10.2776 10.2881 k = 0.1897 0.2635 0.7541 ( 5530 PWs) bands (ev): -5.7064 -5.7061 -5.2957 -5.2956 -4.2000 -4.1939 -4.0326 -4.0281 -1.3436 -1.3368 -0.9694 -0.9470 -0.3873 -0.3865 -0.3602 -0.3526 -0.3133 -0.2165 -0.1734 -0.1590 -0.0744 -0.0596 -0.0430 -0.0188 0.0042 0.0250 0.0560 0.0615 0.1386 0.1639 0.3141 0.3321 0.9675 0.9702 1.1780 1.1820 3.2983 3.3306 3.3827 3.3924 4.0202 4.0456 4.3736 4.3842 5.0447 5.0453 5.2110 5.2174 5.4144 5.4360 5.5499 5.5558 8.4754 8.4771 8.6784 8.6827 9.3841 9.4238 9.5746 9.5826 10.2809 10.2896 k = 0.1983 0.2515 0.7689 ( 5532 PWs) bands (ev): -5.6764 -5.6761 -5.3195 -5.3194 -4.1954 -4.1893 -4.0472 -4.0426 -1.3140 -1.3063 -0.9907 -0.9686 -0.3867 -0.3859 -0.3587 -0.3540 -0.3182 -0.2152 -0.1740 -0.1615 -0.0735 -0.0593 -0.0457 -0.0192 0.0027 0.0257 0.0534 0.0560 0.1431 0.1672 0.2990 0.3219 0.9431 0.9462 1.1317 1.1353 3.3361 3.3673 3.4330 3.4404 4.0158 4.0379 4.3621 4.3702 5.1025 5.1042 5.2450 5.2517 5.4220 5.4424 5.5614 5.5673 8.4776 8.4793 8.6504 8.6547 9.3706 9.4082 9.5221 9.5277 10.2959 10.3021 k = 0.2069 0.2395 0.7837 ( 5534 PWs) bands (ev): -5.6458 -5.6455 -5.3449 -5.3449 -4.1889 -4.1828 -4.0620 -4.0574 -1.2844 -1.2758 -1.0131 -0.9913 -0.3861 -0.3853 -0.3574 -0.3556 -0.3222 -0.2133 -0.1746 -0.1645 -0.0722 -0.0595 -0.0482 -0.0187 0.0013 0.0269 0.0507 0.0511 0.1491 0.1712 0.2839 0.3121 0.9254 0.9286 1.0889 1.0923 3.3715 3.4018 3.4763 3.4811 4.0169 4.0353 4.3394 4.3457 5.1631 5.1650 5.2772 5.2843 5.4283 5.4474 5.5648 5.5704 8.4815 8.4833 8.6241 8.6283 9.3569 9.3916 9.4761 9.4790 10.3209 10.3240 k = 0.2155 0.2275 0.7984 ( 5540 PWs) bands (ev): -5.6148 -5.6145 -5.3719 -5.3718 -4.1808 -4.1747 -4.0769 -4.0722 -1.2548 -1.2454 -1.0366 -1.0152 -0.3855 -0.3849 -0.3572 -0.3564 -0.3255 -0.2111 -0.1752 -0.1677 -0.0704 -0.0601 -0.0506 -0.0175 0.0000 0.0285 0.0468 0.0481 0.1565 0.1759 0.2687 0.3028 0.9144 0.9178 1.0500 1.0531 3.4042 3.4341 3.5103 3.5122 4.0256 4.0400 4.3082 4.3131 5.2239 5.2254 5.3069 5.3145 5.4326 5.4503 5.5600 5.5649 8.4871 8.4890 8.5999 8.6039 9.3444 9.3757 9.4370 9.4371 10.3534 10.3536 k = 0.2241 0.2154 0.8132 ( 5542 PWs) bands (ev): -5.5836 -5.5833 -5.4000 -5.3999 -4.1713 -4.1651 -4.0917 -4.0869 -1.2256 -1.2155 -1.0611 -1.0401 -0.3849 -0.3846 -0.3588 -0.3559 -0.3278 -0.2086 -0.1757 -0.1709 -0.0683 -0.0607 -0.0531 -0.0161 -0.0009 0.0305 0.0433 0.0455 0.1653 0.1806 0.2537 0.2943 0.9102 0.9137 1.0153 1.0181 3.4338 3.4637 3.5326 3.5334 4.0433 4.0535 4.2712 4.2749 5.2822 5.2827 5.3334 5.3418 5.4347 5.4509 5.5471 5.5508 8.4943 8.4963 8.5780 8.5818 9.3347 9.3623 9.4021 9.4054 10.3882 10.3916 k = 0.2328 0.2034 0.8280 ( 5548 PWs) bands (ev): -5.5522 -5.5520 -5.4292 -5.4291 -4.1605 -4.1542 -4.1061 -4.1015 -1.1967 -1.1865 -1.0865 -1.0654 -0.3845 -0.3843 -0.3600 -0.3556 -0.3294 -0.2063 -0.1761 -0.1737 -0.0660 -0.0613 -0.0555 -0.0148 -0.0015 0.0327 0.0406 0.0429 0.1750 0.1850 0.2393 0.2871 0.9124 0.9161 0.9853 0.9877 3.4588 3.4895 3.5428 3.5450 4.0697 4.0759 4.2310 4.2334 5.3334 5.3343 5.3560 5.3656 5.4361 5.4504 5.5265 5.5286 8.5032 8.5053 8.5586 8.5621 9.3291 9.3529 9.3746 9.3813 10.4257 10.4323 k = 0.2414 0.1914 0.8428 ( 5546 PWs) bands (ev): -5.5209 -5.5207 -5.4592 -5.4591 -4.1490 -4.1422 -4.1198 -4.1157 -1.1684 -1.1597 -1.1127 -1.0899 -0.3842 -0.3842 -0.3608 -0.3556 -0.3302 -0.2047 -0.1764 -0.1758 -0.0635 -0.0616 -0.0580 -0.0139 -0.0018 0.0350 0.0389 0.0403 0.1844 0.1881 0.2270 0.2823 0.9201 0.9244 0.9608 0.9626 3.4769 3.5098 3.5454 3.5470 4.1029 4.1056 4.1905 4.1913 5.3691 5.3712 5.3739 5.3860 5.4434 5.4537 5.4996 5.5000 8.5139 8.5161 8.5415 8.5450 9.3280 9.3482 9.3554 9.3653 10.4622 10.4720 k = 0.2500 0.1794 0.8576 ( 5536 PWs) bands (ev): -5.4908 -5.4908 -5.4889 -5.4885 -4.1407 -4.1297 -4.1289 -4.1289 -1.1444 -1.1444 -1.1360 -1.1045 -0.3841 -0.3841 -0.3611 -0.3555 -0.3304 -0.2040 -0.1765 -0.1765 -0.0618 -0.0617 -0.0598 -0.0136 -0.0019 0.0370 0.0383 0.0383 0.1893 0.1893 0.2211 0.2805 0.9277 0.9337 0.9477 0.9477 3.4839 3.5190 3.5452 3.5452 4.1299 4.1299 4.1613 4.1627 5.3805 5.3805 5.3838 5.3960 5.4669 5.4680 5.4680 5.4752 8.5258 8.5258 8.5275 8.5331 9.3291 9.3474 9.3474 9.3592 10.4831 10.4969 k = 0.2500 0.1794 0.8576 ( 5536 PWs) bands (ev): -5.4908 -5.4908 -5.4889 -5.4885 -4.1407 -4.1297 -4.1289 -4.1289 -1.1444 -1.1444 -1.1360 -1.1045 -0.3841 -0.3841 -0.3611 -0.3555 -0.3304 -0.2040 -0.1765 -0.1765 -0.0618 -0.0617 -0.0598 -0.0136 -0.0019 0.0370 0.0383 0.0383 0.1893 0.1893 0.2211 0.2805 0.9277 0.9337 0.9477 0.9477 3.4839 3.5190 3.5452 3.5452 4.1299 4.1299 4.1613 4.1627 5.3805 5.3805 5.3838 5.3960 5.4669 5.4680 5.4680 5.4752 8.5258 8.5258 8.5275 8.5331 9.3291 9.3474 9.3474 9.3592 10.4831 10.4969 k = 0.2639 0.1894 0.8453 ( 5556 PWs) bands (ev): -5.5072 -5.5070 -5.4727 -5.4725 -4.1443 -4.1369 -4.1248 -4.1217 -1.1562 -1.1512 -1.1240 -1.0992 -0.3857 -0.3824 -0.3622 -0.3542 -0.3303 -0.2044 -0.1775 -0.1759 -0.0627 -0.0619 -0.0589 -0.0135 -0.0020 0.0363 0.0372 0.0404 0.1861 0.1876 0.2225 0.2797 0.9288 0.9341 0.9536 0.9567 3.4734 3.5081 3.5300 3.5373 4.1201 4.1234 4.1866 4.1886 5.3756 5.3756 5.3822 5.3919 5.4573 5.4623 5.4862 5.4874 8.5100 8.5106 8.5319 8.5343 9.3334 9.3518 9.3542 9.3648 10.4747 10.4866 k = 0.2778 0.1993 0.8331 ( 5543 PWs) bands (ev): -5.5229 -5.5227 -5.4575 -5.4573 -4.1501 -4.1439 -4.1178 -4.1142 -1.1709 -1.1641 -1.1101 -1.0889 -0.3872 -0.3809 -0.3639 -0.3517 -0.3300 -0.2057 -0.1787 -0.1755 -0.0647 -0.0620 -0.0570 -0.0132 -0.0021 0.0353 0.0366 0.0430 0.1776 0.1826 0.2263 0.2780 0.9375 0.9422 0.9681 0.9734 3.4450 3.4785 3.4952 3.5081 4.1096 4.1141 4.2406 4.2471 5.3601 5.3621 5.3793 5.3844 5.4606 5.4659 5.5023 5.5037 8.4744 8.4750 8.5307 8.5312 9.3490 9.3673 9.3717 9.3805 10.4581 10.4682 k = 0.2917 0.2093 0.8208 ( 5538 PWs) bands (ev): -5.5370 -5.5368 -5.4442 -5.4442 -4.1559 -4.1501 -4.1108 -4.1073 -1.1848 -1.1781 -1.0976 -1.0782 -0.3887 -0.3797 -0.3651 -0.3487 -0.3293 -0.2080 -0.1801 -0.1753 -0.0671 -0.0621 -0.0547 -0.0127 -0.0022 0.0342 0.0367 0.0460 0.1661 0.1743 0.2311 0.2763 0.9554 0.9595 0.9878 0.9947 3.4012 3.4284 3.4528 3.4646 4.1062 4.1116 4.3065 4.3163 5.3408 5.3430 5.3750 5.3781 5.4720 5.4772 5.5159 5.5188 8.4219 8.4239 8.5225 8.5236 9.3765 9.3935 9.3977 9.4053 10.4400 10.4499 k = 0.3056 0.2193 0.8085 ( 5532 PWs) bands (ev): -5.5493 -5.5491 -5.4331 -5.4331 -4.1610 -4.1556 -4.1044 -4.1010 -1.1974 -1.1913 -1.0867 -1.0685 -0.3900 -0.3792 -0.3655 -0.3455 -0.3284 -0.2114 -0.1814 -0.1753 -0.0696 -0.0623 -0.0520 -0.0123 -0.0022 0.0330 0.0374 0.0492 0.1538 0.1635 0.2358 0.2751 0.9813 0.9844 1.0120 1.0202 3.3454 3.3653 3.4044 3.4127 4.1103 4.1161 4.3737 4.3860 5.3212 5.3230 5.3697 5.3720 5.4889 5.4939 5.5277 5.5313 8.3572 8.3605 8.5091 8.5117 9.4140 9.4265 9.4309 9.4403 10.4222 10.4329 k = 0.3194 0.2292 0.7962 ( 5530 PWs) bands (ev): -5.5599 -5.5596 -5.4242 -5.4241 -4.1655 -4.1603 -4.0988 -4.0958 -1.2082 -1.2031 -1.0775 -1.0602 -0.3912 -0.3797 -0.3648 -0.3421 -0.3273 -0.2158 -0.1824 -0.1752 -0.0721 -0.0627 -0.0489 -0.0120 -0.0021 0.0316 0.0386 0.0528 0.1421 0.1515 0.2401 0.2741 1.0136 1.0155 1.0402 1.0495 3.2821 3.2966 3.3493 3.3552 4.1206 4.1262 4.4353 4.4496 5.3028 5.3042 5.3635 5.3657 5.5107 5.5144 5.5383 5.5414 8.2851 8.2893 8.4919 8.4958 9.4575 9.4629 9.4715 9.4855 10.4052 10.4173 k = 0.3333 0.2392 0.7840 ( 5525 PWs) bands (ev): -5.5687 -5.5683 -5.4174 -5.4172 -4.1692 -4.1643 -4.0944 -4.0919 -1.2167 -1.2128 -1.0698 -1.0533 -0.3923 -0.3809 -0.3633 -0.3385 -0.3259 -0.2213 -0.1829 -0.1751 -0.0742 -0.0632 -0.0454 -0.0116 -0.0020 0.0302 0.0405 0.0568 0.1317 0.1395 0.2437 0.2731 1.0507 1.0513 1.0719 1.0822 3.2149 3.2260 3.2894 3.2939 4.1353 4.1405 4.4867 4.5026 5.2862 5.2873 5.3568 5.3589 5.5319 5.5337 5.5526 5.5544 8.2100 8.2147 8.4720 8.4771 9.5023 9.5026 9.5213 9.5380 10.3889 10.4029 k = 0.3472 0.2492 0.7717 ( 5528 PWs) bands (ev): -5.5755 -5.5752 -5.4128 -5.4126 -4.1721 -4.1674 -4.0915 -4.0894 -1.2226 -1.2198 -1.0637 -1.0480 -0.3933 -0.3825 -0.3614 -0.3344 -0.3245 -0.2275 -0.1828 -0.1747 -0.0759 -0.0639 -0.0416 -0.0111 -0.0017 0.0286 0.0427 0.0611 0.1229 0.1281 0.2467 0.2720 1.0904 1.0914 1.1066 1.1179 3.1468 3.1555 3.2267 3.2304 4.1530 4.1571 4.5252 4.5426 5.2717 5.2725 5.3497 5.3518 5.5381 5.5438 5.5781 5.5831 8.1363 8.1411 8.4503 8.4563 9.5454 9.5479 9.5781 9.5953 10.3730 10.3890 k = 0.3611 0.2591 0.7594 ( 5523 PWs) bands (ev): -5.5805 -5.5801 -5.4105 -5.4102 -4.1742 -4.1697 -4.0900 -4.0884 -1.2256 -1.2239 -1.0591 -1.0441 -0.3943 -0.3843 -0.3595 -0.3299 -0.3232 -0.2341 -0.1821 -0.1740 -0.0772 -0.0647 -0.0375 -0.0102 -0.0014 0.0269 0.0454 0.0657 0.1160 0.1184 0.2489 0.2705 1.1316 1.1342 1.1436 1.1557 3.0797 3.0869 3.1631 3.1664 4.1720 4.1747 4.5495 4.5684 5.2595 5.2601 5.3427 5.3447 5.5383 5.5445 5.6125 5.6171 8.0680 8.0724 8.4274 8.4342 9.5908 9.5950 9.6391 9.6558 10.3571 10.3753 k = 0.3750 0.2691 0.7472 ( 5528 PWs) bands (ev): -5.5836 -5.5831 -5.4104 -5.4100 -4.1754 -4.1711 -4.0902 -4.0891 -1.2254 -1.2249 -1.0561 -1.0418 -0.3951 -0.3862 -0.3576 -0.3250 -0.3222 -0.2406 -0.1805 -0.1729 -0.0779 -0.0655 -0.0334 -0.0088 -0.0011 0.0252 0.0482 0.0703 0.1108 0.1113 0.2505 0.2686 1.1739 1.1779 1.1824 1.1950 3.0152 3.0215 3.1001 3.1033 4.1913 4.1922 4.5600 4.5801 5.2497 5.2502 5.3362 5.3379 5.5347 5.5409 5.6473 5.6509 8.0090 8.0126 8.4039 8.4113 9.6381 9.6433 9.7026 9.7184 10.3409 10.3610 k = 0.3889 0.2791 0.7349 ( 5532 PWs) bands (ev): -5.5847 -5.5842 -5.4127 -5.4122 -4.1758 -4.1716 -4.0920 -4.0915 -1.2224 -1.2218 -1.0547 -1.0411 -0.3958 -0.3880 -0.3558 -0.3218 -0.3195 -0.2466 -0.1781 -0.1714 -0.0782 -0.0664 -0.0295 -0.0066 -0.0010 0.0236 0.0510 0.0740 0.1067 0.1089 0.2516 0.2663 1.2161 1.2201 1.2231 1.2349 2.9548 2.9605 3.0393 3.0426 4.2085 4.2098 4.5575 4.5788 5.2425 5.2428 5.3304 5.3317 5.5278 5.5338 5.6778 5.6800 7.9630 7.9655 8.3803 8.3880 9.6867 9.6926 9.7675 9.7819 10.3238 10.3456 k = 0.4028 0.2890 0.7226 ( 5530 PWs) bands (ev): -5.5838 -5.5832 -5.4174 -5.4168 -4.1753 -4.1713 -4.0954 -4.0954 -1.2166 -1.2149 -1.0547 -1.0418 -0.3965 -0.3898 -0.3542 -0.3222 -0.3136 -0.2518 -0.1751 -0.1693 -0.0779 -0.0671 -0.0262 -0.0032 -0.0013 0.0224 0.0536 0.0754 0.1076 0.1093 0.2522 0.2637 1.2572 1.2594 1.2652 1.2742 2.8997 2.9051 2.9820 2.9855 4.2230 4.2266 4.5436 4.5660 5.2380 5.2380 5.3257 5.3265 5.5179 5.5237 5.6995 5.7002 7.9332 7.9342 8.3568 8.3649 9.7361 9.7422 9.8328 9.8453 10.3048 10.3282 k = 0.4167 0.2990 0.7104 ( 5542 PWs) bands (ev): -5.5809 -5.5803 -5.4245 -5.4238 -4.1739 -4.1701 -4.1007 -4.1002 -1.2075 -1.2048 -1.0562 -1.0441 -0.3970 -0.3914 -0.3528 -0.3236 -0.3074 -0.2561 -0.1714 -0.1668 -0.0773 -0.0677 -0.0238 -0.0022 0.0014 0.0219 0.0557 0.0743 0.1129 0.1139 0.2523 0.2608 1.2961 1.2968 1.3055 1.3119 2.8511 2.8564 2.9296 2.9334 4.2348 4.2411 4.5200 4.5431 5.2359 5.2362 5.3223 5.3223 5.5056 5.5110 5.7077 5.7086 7.9215 7.9221 8.3337 8.3420 9.7856 9.7915 9.8974 9.9074 10.2833 10.3080 k = 0.4306 0.3090 0.6981 ( 5537 PWs) bands (ev): -5.5760 -5.5753 -5.4340 -5.4333 -4.1717 -4.1680 -4.1071 -4.1062 -1.1953 -1.1917 -1.0593 -1.0478 -0.3974 -0.3929 -0.3514 -0.3259 -0.3008 -0.2593 -0.1673 -0.1639 -0.0763 -0.0681 -0.0220 -0.0038 0.0068 0.0220 0.0573 0.0720 0.1204 0.1247 0.2522 0.2577 1.3316 1.3319 1.3424 1.3469 2.8102 2.8155 2.8832 2.8873 4.2437 4.2528 4.4880 4.5116 5.2364 5.2371 5.3191 5.3198 5.4917 5.4965 5.7001 5.7027 7.9287 7.9310 8.3114 8.3198 9.8345 9.8400 9.9600 9.9668 10.2584 10.2844 k = 0.4444 0.3189 0.6858 ( 5533 PWs) bands (ev): -5.5690 -5.5682 -5.4461 -5.4453 -4.1686 -4.1650 -4.1145 -4.1131 -1.1805 -1.1759 -1.0638 -1.0531 -0.3976 -0.3941 -0.3501 -0.3290 -0.2941 -0.2616 -0.1630 -0.1607 -0.0748 -0.0682 -0.0207 -0.0060 0.0124 0.0228 0.0584 0.0695 0.1320 0.1389 0.2518 0.2545 1.3627 1.3634 1.3750 1.3782 2.7780 2.7833 2.8440 2.8483 4.2493 4.2612 4.4489 4.4729 5.2394 5.2404 5.3160 5.3174 5.4776 5.4816 5.6768 5.6807 7.9556 7.9596 8.2898 8.2983 9.8820 9.8870 10.0189 10.0214 10.2297 10.2573 k = 0.4583 0.3289 0.6736 ( 5533 PWs) bands (ev): -5.5600 -5.5592 -5.4608 -5.4599 -4.1646 -4.1612 -4.1224 -4.1206 -1.1634 -1.1580 -1.0698 -1.0598 -0.3977 -0.3952 -0.3488 -0.3327 -0.2874 -0.2634 -0.1587 -0.1575 -0.0731 -0.0680 -0.0197 -0.0087 0.0177 0.0241 0.0592 0.0672 0.1480 0.1563 0.2515 0.2516 1.3893 1.3898 1.4025 1.4048 2.7554 2.7604 2.8131 2.8174 4.2514 4.2663 4.4039 4.4279 5.2445 5.2458 5.3117 5.3133 5.4654 5.4682 5.6384 5.6433 8.0009 8.0062 8.2694 8.2777 9.9273 9.9316 10.0670 10.0702 10.1992 10.2291 k = 0.4722 0.3389 0.6613 ( 5537 PWs) bands (ev): -5.5489 -5.5480 -5.4781 -5.4772 -4.1598 -4.1566 -4.1304 -4.1282 -1.1446 -1.1385 -1.0770 -1.0679 -0.3977 -0.3961 -0.3475 -0.3367 -0.2808 -0.2650 -0.1548 -0.1542 -0.0709 -0.0675 -0.0189 -0.0116 0.0224 0.0257 0.0600 0.0652 0.1680 0.1762 0.2497 0.2515 1.4105 1.4106 1.4244 1.4261 2.7427 2.7471 2.7913 2.7952 4.2503 4.2680 4.3538 4.3777 5.2510 5.2525 5.3040 5.3052 5.4581 5.4590 5.5875 5.5928 8.0616 8.0681 8.2500 8.2583 9.9687 9.9724 10.0912 10.0978 10.1814 10.2108 k = 0.4861 0.3488 0.6490 ( 5539 PWs) bands (ev): -5.5358 -5.5348 -5.4980 -5.4970 -4.1543 -4.1516 -4.1378 -4.1355 -1.1251 -1.1192 -1.0845 -1.0770 -0.3974 -0.3967 -0.3461 -0.3407 -0.2743 -0.2665 -0.1514 -0.1513 -0.0685 -0.0667 -0.0182 -0.0146 0.0262 0.0274 0.0609 0.0635 0.1908 0.1967 0.2506 0.2531 1.4257 1.4259 1.4405 1.4416 2.7396 2.7425 2.7799 2.7825 4.2461 4.2658 4.3001 4.3229 5.2568 5.2583 5.2913 5.2916 5.4562 5.4574 5.5283 5.5332 8.1344 8.1418 8.2320 8.2401 10.0029 10.0066 10.0754 10.0765 10.2021 10.2190 k = 0.5000 0.3588 0.6368 ( 5544 PWs) bands (ev): -5.5209 -5.5209 -5.5191 -5.5191 -4.1495 -4.1495 -4.1409 -4.1409 -1.1087 -1.1087 -1.0838 -1.0838 -0.3971 -0.3971 -0.3446 -0.3446 -0.2681 -0.2681 -0.1486 -0.1486 -0.0658 -0.0658 -0.0175 -0.0175 0.0291 0.0291 0.0621 0.0621 0.2120 0.2120 0.2603 0.2603 1.4357 1.4357 1.4514 1.4514 2.7442 2.7442 2.7806 2.7806 4.2381 4.2381 4.2652 4.2652 5.2543 5.2543 5.2772 5.2772 5.4535 5.4535 5.4775 5.4775 8.2149 8.2149 8.2236 8.2236 10.0165 10.0165 10.0404 10.0404 10.2283 10.2283 k = 0.5000 0.3588 0.6368 ( 5544 PWs) bands (ev): -5.5209 -5.5209 -5.5191 -5.5191 -4.1495 -4.1495 -4.1409 -4.1409 -1.1087 -1.1087 -1.0838 -1.0838 -0.3971 -0.3971 -0.3446 -0.3446 -0.2681 -0.2681 -0.1486 -0.1486 -0.0658 -0.0658 -0.0175 -0.0175 0.0291 0.0291 0.0621 0.0621 0.2120 0.2120 0.2603 0.2603 1.4357 1.4357 1.4514 1.4514 2.7442 2.7442 2.7806 2.7806 4.2381 4.2381 4.2652 4.2652 5.2543 5.2543 5.2772 5.2772 5.4535 5.4535 5.4775 5.4775 8.2149 8.2149 8.2236 8.2236 10.0165 10.0165 10.0404 10.0404 10.2283 10.2283 k = 0.5000 0.3588 0.6162 ( 5530 PWs) bands (ev): -5.5277 -5.5277 -5.5257 -5.5257 -4.1490 -4.1490 -4.1404 -4.1404 -1.1008 -1.1008 -1.0758 -1.0758 -0.3968 -0.3968 -0.3466 -0.3466 -0.2643 -0.2643 -0.1451 -0.1451 -0.0622 -0.0622 -0.0194 -0.0194 0.0324 0.0324 0.0622 0.0622 0.2357 0.2357 0.2852 0.2852 1.4491 1.4491 1.4654 1.4654 2.7536 2.7536 2.7904 2.7904 4.1810 4.1810 4.2096 4.2096 5.2304 5.2304 5.2565 5.2565 5.4104 5.4104 5.4378 5.4378 8.2718 8.2718 8.2807 8.2807 9.9641 9.9641 9.9943 9.9943 10.2254 10.2254 k = 0.5000 0.3588 0.5957 ( 5526 PWs) bands (ev): -5.5352 -5.5352 -5.5332 -5.5332 -4.1472 -4.1472 -4.1385 -4.1385 -1.0935 -1.0935 -1.0684 -1.0684 -0.3964 -0.3964 -0.3484 -0.3484 -0.2606 -0.2606 -0.1427 -0.1427 -0.0583 -0.0583 -0.0213 -0.0213 0.0352 0.0352 0.0627 0.0627 0.2601 0.2601 0.3105 0.3105 1.4650 1.4650 1.4818 1.4818 2.7633 2.7633 2.8005 2.8005 4.1244 4.1244 4.1541 4.1541 5.2032 5.2032 5.2323 5.2323 5.3706 5.3706 5.4011 5.4011 8.3288 8.3288 8.3375 8.3375 9.8958 9.8958 9.9272 9.9272 10.2180 10.2180 k = 0.5000 0.3588 0.5751 ( 5526 PWs) bands (ev): -5.5437 -5.5437 -5.5416 -5.5416 -4.1439 -4.1439 -4.1353 -4.1353 -1.0869 -1.0869 -1.0617 -1.0617 -0.3958 -0.3958 -0.3502 -0.3502 -0.2571 -0.2571 -0.1412 -0.1412 -0.0541 -0.0541 -0.0231 -0.0231 0.0373 0.0373 0.0635 0.0635 0.2844 0.2844 0.3356 0.3356 1.4836 1.4836 1.5009 1.5009 2.7732 2.7732 2.8108 2.8108 4.0691 4.0691 4.0998 4.0998 5.1729 5.1729 5.2040 5.2040 5.3355 5.3355 5.3679 5.3679 8.3843 8.3843 8.3927 8.3927 9.8208 9.8208 9.8514 9.8514 10.1975 10.1975 k = 0.5000 0.3588 0.5546 ( 5522 PWs) bands (ev): -5.5530 -5.5530 -5.5508 -5.5508 -4.1391 -4.1391 -4.1304 -4.1304 -1.0811 -1.0811 -1.0558 -1.0558 -0.3951 -0.3951 -0.3517 -0.3517 -0.2539 -0.2539 -0.1404 -0.1404 -0.0499 -0.0499 -0.0249 -0.0249 0.0387 0.0387 0.0646 0.0646 0.3078 0.3078 0.3597 0.3597 1.5055 1.5055 1.5229 1.5229 2.7831 2.7831 2.8212 2.8212 4.0160 4.0160 4.0474 4.0474 5.1398 5.1398 5.1717 5.1717 5.3054 5.3054 5.3384 5.3384 8.4367 8.4367 8.4446 8.4446 9.7435 9.7435 9.7726 9.7726 10.1628 10.1628 k = 0.5000 0.3588 0.5341 ( 5530 PWs) bands (ev): -5.5631 -5.5631 -5.5609 -5.5609 -4.1325 -4.1325 -4.1238 -4.1238 -1.0762 -1.0762 -1.0509 -1.0509 -0.3942 -0.3942 -0.3531 -0.3531 -0.2511 -0.2511 -0.1402 -0.1402 -0.0457 -0.0457 -0.0265 -0.0265 0.0396 0.0396 0.0660 0.0660 0.3295 0.3295 0.3819 0.3819 1.5309 1.5309 1.5484 1.5484 2.7929 2.7929 2.8314 2.8314 3.9660 3.9660 3.9979 3.9979 5.1046 5.1046 5.1363 5.1363 5.2801 5.2801 5.3124 5.3124 8.4840 8.4840 8.4914 8.4914 9.6667 9.6667 9.6939 9.6939 10.1155 10.1155 k = 0.5000 0.3588 0.5135 ( 5526 PWs) bands (ev): -5.5740 -5.5740 -5.5718 -5.5718 -4.1241 -4.1241 -4.1155 -4.1155 -1.0724 -1.0724 -1.0470 -1.0470 -0.3931 -0.3931 -0.3543 -0.3543 -0.2487 -0.2487 -0.1404 -0.1404 -0.0416 -0.0416 -0.0279 -0.0279 0.0401 0.0401 0.0676 0.0676 0.3488 0.3488 0.4015 0.4015 1.5601 1.5601 1.5774 1.5774 2.8025 2.8025 2.8413 2.8413 3.9200 3.9200 3.9520 3.9520 5.0682 5.0682 5.0989 5.0989 5.2584 5.2584 5.2893 5.2893 8.5240 8.5240 8.5307 8.5307 9.5925 9.5925 9.6178 9.6178 10.0585 10.0585 k = 0.5000 0.3588 0.4930 ( 5522 PWs) bands (ev): -5.5857 -5.5857 -5.5834 -5.5834 -4.1139 -4.1139 -4.1054 -4.1054 -1.0695 -1.0695 -1.0442 -1.0442 -0.3920 -0.3920 -0.3553 -0.3553 -0.2468 -0.2468 -0.1409 -0.1409 -0.0380 -0.0380 -0.0291 -0.0291 0.0403 0.0403 0.0693 0.0693 0.3648 0.3648 0.4178 0.4178 1.5934 1.5934 1.6103 1.6103 2.8116 2.8116 2.8507 2.8507 3.8785 3.8785 3.9104 3.9104 5.0314 5.0314 5.0610 5.0610 5.2396 5.2396 5.2688 5.2688 8.5539 8.5539 8.5605 8.5605 9.5227 9.5227 9.5458 9.5458 9.9951 9.9951 k = 0.5000 0.3588 0.4724 ( 5518 PWs) bands (ev): -5.5980 -5.5980 -5.5958 -5.5958 -4.1018 -4.1018 -4.0934 -4.0934 -1.0677 -1.0677 -1.0424 -1.0424 -0.3907 -0.3907 -0.3561 -0.3561 -0.2453 -0.2453 -0.1417 -0.1417 -0.0354 -0.0354 -0.0294 -0.0294 0.0401 0.0401 0.0711 0.0711 0.3771 0.3771 0.4303 0.4303 1.6310 1.6310 1.6471 1.6471 2.8202 2.8202 2.8596 2.8596 3.8423 3.8423 3.8738 3.8738 4.9948 4.9948 5.0234 5.0234 5.2230 5.2230 5.2506 5.2506 8.5713 8.5713 8.5786 8.5786 9.4583 9.4583 9.4792 9.4792 9.9283 9.9283 k = 0.5000 0.3588 0.4519 ( 5504 PWs) bands (ev): -5.6109 -5.6109 -5.6087 -5.6087 -4.0880 -4.0880 -4.0797 -4.0797 -1.0670 -1.0670 -1.0418 -1.0418 -0.3892 -0.3892 -0.3567 -0.3567 -0.2442 -0.2442 -0.1427 -0.1427 -0.0350 -0.0350 -0.0275 -0.0275 0.0399 0.0399 0.0731 0.0731 0.3853 0.3853 0.4386 0.4386 1.6727 1.6727 1.6877 1.6877 2.8281 2.8281 2.8677 2.8677 3.8116 3.8116 3.8425 3.8425 4.9591 4.9591 4.9866 4.9866 5.2082 5.2082 5.2344 5.2344 8.5744 8.5744 8.5831 8.5831 9.3990 9.3990 9.4179 9.4179 9.8618 9.8618 k = 0.5000 0.3588 0.4314 ( 5500 PWs) bands (ev): -5.6243 -5.6243 -5.6221 -5.6221 -4.0724 -4.0724 -4.0643 -4.0643 -1.0674 -1.0674 -1.0424 -1.0424 -0.3877 -0.3877 -0.3571 -0.3571 -0.2437 -0.2437 -0.1439 -0.1439 -0.0361 -0.0361 -0.0245 -0.0245 0.0395 0.0395 0.0749 0.0749 0.3892 0.3892 0.4425 0.4425 1.7182 1.7182 1.7320 1.7320 2.8353 2.8353 2.8751 2.8751 3.7870 3.7870 3.8170 3.8170 4.9245 4.9245 4.9512 4.9512 5.1952 5.1952 5.2200 5.2200 8.5626 8.5626 8.5732 8.5732 9.3432 9.3432 9.3605 9.3605 9.7989 9.7989 k = 0.5000 0.3588 0.4108 ( 5508 PWs) bands (ev): -5.6380 -5.6380 -5.6359 -5.6359 -4.0552 -4.0552 -4.0473 -4.0473 -1.0689 -1.0689 -1.0441 -1.0441 -0.3860 -0.3860 -0.3573 -0.3573 -0.2437 -0.2437 -0.1454 -0.1454 -0.0377 -0.0377 -0.0213 -0.0213 0.0390 0.0390 0.0768 0.0768 0.3887 0.3887 0.4420 0.4420 1.7673 1.7673 1.7796 1.7796 2.8417 2.8417 2.8817 2.8817 3.7685 3.7685 3.7974 3.7974 4.8913 4.8913 4.9174 4.9174 5.1838 5.1838 5.2075 5.2075 8.5369 8.5369 8.5494 8.5494 9.2879 9.2879 9.3040 9.3040 9.7428 9.7428 k = 0.5000 0.3588 0.3903 ( 5508 PWs) bands (ev): -5.6520 -5.6520 -5.6500 -5.6500 -4.0366 -4.0366 -4.0288 -4.0288 -1.0714 -1.0714 -1.0470 -1.0470 -0.3843 -0.3843 -0.3572 -0.3572 -0.2442 -0.2442 -0.1471 -0.1471 -0.0394 -0.0394 -0.0181 -0.0181 0.0386 0.0386 0.0786 0.0786 0.3841 0.3841 0.4373 0.4373 1.8194 1.8194 1.8300 1.8300 2.8474 2.8474 2.8874 2.8874 3.7563 3.7563 3.7839 3.7839 4.8598 4.8598 4.8853 4.8853 5.1742 5.1742 5.1968 5.1968 8.4995 8.4995 8.5135 8.5135 9.2296 9.2296 9.2451 9.2451 9.6957 9.6957 k = 0.5000 0.3588 0.3697 ( 5498 PWs) bands (ev): -5.6662 -5.6662 -5.6641 -5.6641 -4.0165 -4.0165 -4.0090 -4.0090 -1.0750 -1.0750 -1.0510 -1.0510 -0.3824 -0.3824 -0.3569 -0.3569 -0.2452 -0.2452 -0.1490 -0.1490 -0.0413 -0.0413 -0.0151 -0.0151 0.0382 0.0382 0.0805 0.0805 0.3757 0.3757 0.4287 0.4287 1.8737 1.8737 1.8826 1.8826 2.8523 2.8523 2.8924 2.8924 3.7503 3.7503 3.7763 3.7763 4.8302 4.8302 4.8551 4.8551 5.1663 5.1663 5.1879 5.1879 8.4534 8.4534 8.4684 8.4684 9.1661 9.1661 9.1811 9.1811 9.6579 9.6579 k = 0.5000 0.3588 0.3492 ( 5504 PWs) bands (ev): -5.6803 -5.6803 -5.6783 -5.6783 -3.9954 -3.9954 -3.9880 -3.9880 -1.0796 -1.0796 -1.0562 -1.0562 -0.3803 -0.3803 -0.3565 -0.3565 -0.2467 -0.2467 -0.1513 -0.1513 -0.0432 -0.0432 -0.0122 -0.0122 0.0378 0.0378 0.0823 0.0823 0.3640 0.3640 0.4168 0.4168 1.9295 1.9295 1.9369 1.9369 2.8565 2.8565 2.8966 2.8966 3.7502 3.7502 3.7746 3.7746 4.8023 4.8023 4.8267 4.8267 5.1603 5.1603 5.1810 5.1810 8.4013 8.4013 8.4169 8.4169 9.0969 9.0969 9.1115 9.1115 9.6275 9.6275 k = 0.5000 0.3588 0.3287 ( 5504 PWs) bands (ev): -5.6943 -5.6943 -5.6924 -5.6924 -3.9732 -3.9732 -3.9661 -3.9661 -1.0852 -1.0852 -1.0623 -1.0623 -0.3782 -0.3782 -0.3557 -0.3557 -0.2487 -0.2487 -0.1541 -0.1541 -0.0452 -0.0452 -0.0096 -0.0096 0.0376 0.0376 0.0840 0.0840 0.3495 0.3495 0.4020 0.4020 1.9859 1.9859 1.9923 1.9923 2.8600 2.8600 2.9001 2.9001 3.7558 3.7558 3.7784 3.7784 4.7764 4.7764 4.8002 4.8002 5.1562 5.1562 5.1761 5.1761 8.3458 8.3458 8.3616 8.3616 9.0231 9.0231 9.0371 9.0371 9.6016 9.6016 k = 0.5000 0.3588 0.3081 ( 5496 PWs) bands (ev): -5.7081 -5.7081 -5.7063 -5.7063 -3.9503 -3.9503 -3.9435 -3.9435 -1.0916 -1.0916 -1.0695 -1.0695 -0.3759 -0.3759 -0.3548 -0.3548 -0.2511 -0.2511 -0.1574 -0.1574 -0.0471 -0.0471 -0.0072 -0.0072 0.0376 0.0376 0.0858 0.0858 0.3327 0.3327 0.3850 0.3850 2.0419 2.0419 2.0484 2.0484 2.8629 2.8629 2.9028 2.9028 3.7666 3.7666 3.7873 3.7873 4.7524 4.7524 4.7755 4.7755 5.1542 5.1542 5.1733 5.1733 8.2892 8.2892 8.3048 8.3048 8.9461 8.9461 8.9594 8.9594 9.5768 9.5768 k = 0.5000 0.3588 0.2876 ( 5500 PWs) bands (ev): -5.7215 -5.7215 -5.7198 -5.7198 -3.9269 -3.9269 -3.9204 -3.9204 -1.0989 -1.0989 -1.0777 -1.0777 -0.3734 -0.3734 -0.3535 -0.3535 -0.2540 -0.2540 -0.1613 -0.1613 -0.0490 -0.0490 -0.0052 -0.0052 0.0377 0.0377 0.0876 0.0876 0.3143 0.3143 0.3662 0.3662 2.0968 2.0968 2.1046 2.1046 2.8651 2.8651 2.9049 2.9049 3.7822 3.7822 3.8009 3.8009 4.7302 4.7302 4.7527 4.7527 5.1543 5.1543 5.1726 5.1726 8.2330 8.2330 8.2481 8.2481 8.8675 8.8675 8.8801 8.8801 9.5505 9.5505 k = 0.5000 0.3588 0.2670 ( 5490 PWs) bands (ev): -5.7345 -5.7345 -5.7329 -5.7329 -3.9033 -3.9033 -3.8971 -3.8971 -1.1069 -1.1069 -1.0866 -1.0866 -0.3707 -0.3707 -0.3520 -0.3520 -0.2573 -0.2573 -0.1661 -0.1661 -0.0505 -0.0505 -0.0035 -0.0035 0.0381 0.0381 0.0894 0.0894 0.2949 0.2949 0.3464 0.3464 2.1502 2.1502 2.1599 2.1599 2.8667 2.8667 2.9063 2.9063 3.8020 3.8020 3.8187 3.8187 4.7098 4.7098 4.7316 4.7316 5.1565 5.1565 5.1740 5.1740 8.1786 8.1786 8.1931 8.1931 8.7886 8.7886 8.8005 8.8005 9.5206 9.5206 k = 0.5000 0.3588 0.2465 ( 5478 PWs) bands (ev): -5.7469 -5.7469 -5.7454 -5.7454 -3.8797 -3.8797 -3.8739 -3.8739 -1.1154 -1.1154 -1.0963 -1.0963 -0.3678 -0.3678 -0.3502 -0.3502 -0.2610 -0.2610 -0.1717 -0.1717 -0.0517 -0.0517 -0.0022 -0.0022 0.0388 0.0388 0.0912 0.0912 0.2749 0.2749 0.3262 0.3262 2.2018 2.2018 2.2136 2.2136 2.8675 2.8675 2.9068 2.9068 3.8254 3.8254 3.8401 3.8401 4.6911 4.6911 4.7121 4.7121 5.1609 5.1609 5.1774 5.1774 8.1272 8.1272 8.1409 8.1409 8.7103 8.7103 8.7215 8.7215 9.4858 9.4858 k = 0.5000 0.3588 0.2259 ( 5490 PWs) bands (ev): -5.7586 -5.7586 -5.7573 -5.7573 -3.8565 -3.8565 -3.8510 -3.8510 -1.1245 -1.1245 -1.1065 -1.1065 -0.3648 -0.3648 -0.3481 -0.3481 -0.2650 -0.2650 -0.1783 -0.1783 -0.0525 -0.0525 -0.0014 -0.0014 0.0398 0.0398 0.0930 0.0930 0.2550 0.2550 0.3059 0.3059 2.2512 2.2512 2.2652 2.2652 2.8677 2.8677 2.9065 2.9065 3.8517 3.8517 3.8643 3.8643 4.6741 4.6741 4.6941 4.6941 5.1673 5.1673 5.1828 5.1828 8.0796 8.0796 8.0925 8.0925 8.6334 8.6334 8.6441 8.6441 9.4456 9.4456 k = 0.5000 0.3588 0.2054 ( 5484 PWs) bands (ev): -5.7697 -5.7697 -5.7685 -5.7685 -3.8338 -3.8338 -3.8287 -3.8287 -1.1338 -1.1338 -1.1171 -1.1171 -0.3615 -0.3615 -0.3457 -0.3457 -0.2692 -0.2692 -0.1859 -0.1859 -0.0528 -0.0528 -0.0010 -0.0010 0.0412 0.0412 0.0948 0.0948 0.2355 0.2355 0.2860 0.2860 2.2981 2.2981 2.3141 2.3141 2.8670 2.8670 2.9052 2.9052 3.8801 3.8801 3.8908 3.8908 4.6586 4.6586 4.6775 4.6775 5.1755 5.1755 5.1901 5.1901 8.0366 8.0366 8.0485 8.0485 8.5587 8.5587 8.5687 8.5687 9.4000 9.4000 k = 0.5000 0.3588 0.1849 ( 5496 PWs) bands (ev): -5.7799 -5.7799 -5.7788 -5.7788 -3.8120 -3.8120 -3.8074 -3.8074 -1.1431 -1.1431 -1.1279 -1.1279 -0.3580 -0.3580 -0.3429 -0.3429 -0.2738 -0.2738 -0.1944 -0.1944 -0.0524 -0.0524 -0.0012 -0.0012 0.0430 0.0430 0.0966 0.0966 0.2169 0.2169 0.2670 0.2670 2.3422 2.3422 2.3600 2.3600 2.8655 2.8655 2.9029 2.9029 3.9098 3.9098 3.9186 3.9186 4.6445 4.6445 4.6623 4.6623 5.1855 5.1855 5.1989 5.1989 7.9989 7.9989 8.0097 8.0097 8.4866 8.4866 8.4960 8.4960 9.3499 9.3499 k = 0.5000 0.3588 0.1643 ( 5500 PWs) bands (ev): -5.7892 -5.7892 -5.7882 -5.7882 -3.7915 -3.7915 -3.7873 -3.7873 -1.1524 -1.1524 -1.1386 -1.1386 -0.3543 -0.3543 -0.3396 -0.3396 -0.2785 -0.2785 -0.2038 -0.2038 -0.0515 -0.0515 -0.0019 -0.0019 0.0452 0.0452 0.0981 0.0981 0.1996 0.1996 0.2491 0.2491 2.3832 2.3832 2.4024 2.4024 2.8632 2.8632 2.8994 2.8994 3.9398 3.9398 3.9470 3.9470 4.6318 4.6318 4.6482 4.6482 5.1967 5.1967 5.2090 5.2090 7.9670 7.9670 7.9766 7.9766 8.4175 8.4175 8.4263 8.4263 9.2969 9.2969 k = 0.5000 0.3588 0.1438 ( 5498 PWs) bands (ev): -5.7976 -5.7976 -5.7967 -5.7967 -3.7725 -3.7725 -3.7687 -3.7687 -1.1612 -1.1612 -1.1490 -1.1490 -0.3504 -0.3504 -0.3358 -0.3358 -0.2833 -0.2833 -0.2139 -0.2139 -0.0498 -0.0498 -0.0032 -0.0032 0.0477 0.0477 0.0994 0.0994 0.1839 0.1839 0.2325 0.2325 2.4211 2.4211 2.4412 2.4412 2.8602 2.8602 2.8948 2.8948 3.9693 3.9693 3.9750 3.9750 4.6204 4.6204 4.6353 4.6353 5.2089 5.2089 5.2198 5.2198 7.9413 7.9413 7.9497 7.9497 8.3518 8.3518 8.3600 8.3600 9.2429 9.2429 k = 0.5000 0.3588 0.1232 ( 5498 PWs) bands (ev): -5.8049 -5.8049 -5.8042 -5.8042 -3.7552 -3.7552 -3.7520 -3.7520 -1.1694 -1.1694 -1.1588 -1.1588 -0.3464 -0.3464 -0.3315 -0.3315 -0.2881 -0.2881 -0.2244 -0.2244 -0.0476 -0.0476 -0.0051 -0.0051 0.0506 0.0506 0.1001 0.1001 0.1705 0.1705 0.2173 0.2173 2.4556 2.4556 2.4758 2.4758 2.8567 2.8567 2.8892 2.8892 3.9974 3.9974 4.0017 4.0017 4.6104 4.6104 4.6236 4.6236 5.2214 5.2214 5.2310 5.2310 7.9221 7.9221 7.9294 7.9294 8.2901 8.2901 8.2975 8.2975 9.1903 9.1903 k = 0.5000 0.3588 0.1027 ( 5502 PWs) bands (ev): -5.8112 -5.8112 -5.8106 -5.8106 -3.7401 -3.7401 -3.7373 -3.7373 -1.1767 -1.1767 -1.1679 -1.1679 -0.3423 -0.3423 -0.3267 -0.3267 -0.2928 -0.2928 -0.2352 -0.2352 -0.0449 -0.0449 -0.0074 -0.0074 0.0539 0.0539 0.0997 0.0997 0.1599 0.1599 0.2037 0.2037 2.4865 2.4865 2.5061 2.5061 2.8531 2.8531 2.8826 2.8826 4.0231 4.0231 4.0264 4.0264 4.6017 4.6017 4.6132 4.6132 5.2336 5.2336 5.2418 5.2418 7.9096 7.9096 7.9157 7.9157 8.2329 8.2329 8.2395 8.2395 9.1415 9.1415 k = 0.5000 0.3588 0.0822 ( 5494 PWs) bands (ev): -5.8164 -5.8164 -5.8159 -5.8159 -3.7272 -3.7272 -3.7250 -3.7250 -1.1829 -1.1829 -1.1758 -1.1758 -0.3381 -0.3381 -0.3215 -0.3215 -0.2971 -0.2971 -0.2461 -0.2461 -0.0416 -0.0416 -0.0103 -0.0103 0.0577 0.0577 0.0978 0.0978 0.1528 0.1528 0.1915 0.1915 2.5134 2.5134 2.5314 2.5314 2.8497 2.8497 2.8754 2.8754 4.0456 4.0456 4.0480 4.0480 4.5945 4.5945 4.6040 4.6040 5.2450 5.2450 5.2517 5.2517 7.9036 7.9036 7.9085 7.9085 8.1810 8.1810 8.1867 8.1867 9.0986 9.0986 k = 0.5000 0.3588 0.0616 ( 5482 PWs) bands (ev): -5.8205 -5.8205 -5.8201 -5.8201 -3.7169 -3.7169 -3.7152 -3.7152 -1.1878 -1.1878 -1.1824 -1.1824 -0.3338 -0.3338 -0.3168 -0.3168 -0.3001 -0.3001 -0.2567 -0.2567 -0.0379 -0.0379 -0.0136 -0.0136 0.0618 0.0618 0.0940 0.0940 0.1495 0.1495 0.1808 0.1808 2.5360 2.5360 2.5511 2.5511 2.8471 2.8471 2.8680 2.8680 4.0641 4.0641 4.0658 4.0658 4.5890 4.5890 4.5962 4.5962 5.2549 5.2549 5.2599 5.2599 7.9035 7.9035 7.9073 7.9073 8.1356 8.1356 8.1403 8.1403 9.0636 9.0636 k = 0.5000 0.3588 0.0411 ( 5468 PWs) bands (ev): -5.8234 -5.8234 -5.8231 -5.8231 -3.7094 -3.7094 -3.7082 -3.7082 -1.1911 -1.1911 -1.1875 -1.1875 -0.3295 -0.3295 -0.3150 -0.3150 -0.2994 -0.2994 -0.2671 -0.2671 -0.0339 -0.0339 -0.0173 -0.0173 0.0664 0.0664 0.0888 0.0888 0.1497 0.1497 0.1715 0.1715 2.5538 2.5538 2.5648 2.5648 2.8459 2.8459 2.8608 2.8608 4.0780 4.0780 4.0790 4.0790 4.5852 4.5852 4.5902 4.5902 5.2626 5.2626 5.2661 5.2661 7.9078 7.9078 7.9105 7.9105 8.0987 8.0987 8.1022 8.1022 9.0379 9.0379 k = 0.5000 0.3588 0.0205 ( 5478 PWs) bands (ev): -5.8251 -5.8251 -5.8250 -5.8250 -3.7047 -3.7047 -3.7041 -3.7041 -1.1928 -1.1928 -1.1910 -1.1910 -0.3253 -0.3253 -0.3173 -0.3173 -0.2939 -0.2939 -0.2769 -0.2769 -0.0298 -0.0298 -0.0213 -0.0213 0.0715 0.0715 0.0829 0.0829 0.1524 0.1524 0.1636 0.1636 2.5661 2.5661 2.5720 2.5720 2.8466 2.8466 2.8544 2.8544 4.0866 4.0866 4.0871 4.0871 4.5834 4.5834 4.5859 4.5859 5.2679 5.2679 5.2696 5.2696 7.9138 7.9138 7.9153 7.9153 8.0737 8.0737 8.0757 8.0757 9.0226 9.0226 k = 0.5000 0.3588 0.0000 ( 5486 PWs) bands (ev): -5.8256 -5.8256 -5.8256 -5.8256 -3.7029 -3.7029 -3.7029 -3.7029 -1.1928 -1.1928 -1.1928 -1.1928 -0.3211 -0.3211 -0.3211 -0.3211 -0.2860 -0.2860 -0.2860 -0.2860 -0.0255 -0.0255 -0.0255 -0.0255 0.0771 0.0771 0.0771 0.0771 0.1572 0.1572 0.1572 0.1572 2.5723 2.5723 2.5723 2.5723 2.8495 2.8495 2.8495 2.8495 4.0897 4.0897 4.0897 4.0897 4.5836 4.5836 4.5836 4.5836 5.2702 5.2702 5.2702 5.2702 7.9171 7.9171 7.9171 7.9171 8.0653 8.0653 8.0653 8.0653 9.0183 9.0183 k = 0.0000 0.0000 0.8576 ( 5508 PWs) bands (ev): -5.4912 -5.4912 -5.4910 -5.4910 -4.1301 -4.1301 -4.1222 -4.1222 -1.1727 -1.1727 -1.1494 -1.1494 -0.3926 -0.3926 -0.3407 -0.3407 -0.2693 -0.2693 -0.2244 -0.2244 -0.0701 -0.0701 -0.0297 -0.0297 0.0355 0.0355 0.0427 0.0427 0.0884 0.0884 0.1215 0.1215 1.3820 1.3820 1.3915 1.3915 2.6889 2.6889 2.7229 2.7229 4.6242 4.6242 4.6315 4.6315 5.3642 5.3642 5.3758 5.3758 5.7983 5.7983 5.8046 5.8046 7.8534 7.8534 7.8566 7.8566 9.5869 9.5869 9.5975 9.5975 10.4990 10.4990 k = 0.0167 0.0120 0.8576 ( 5512 PWs) bands (ev): -5.4913 -5.4911 -5.4911 -5.4908 -4.1307 -4.1296 -4.1224 -4.1221 -1.1731 -1.1717 -1.1508 -1.1474 -0.3934 -0.3915 -0.3435 -0.3382 -0.2780 -0.2602 -0.2253 -0.2228 -0.0708 -0.0693 -0.0332 -0.0263 0.0345 0.0358 0.0364 0.0501 0.0828 0.0948 0.1192 0.1255 1.3760 1.3762 1.3850 1.3862 2.6960 2.6982 2.7300 2.7319 4.6209 4.6221 4.6282 4.6294 5.3636 5.3647 5.3750 5.3765 5.7937 5.7937 5.7992 5.8008 7.8595 7.8609 7.8626 7.8642 9.5855 9.5860 9.5959 9.5964 10.4965 10.5004 k = 0.0333 0.0239 0.8576 ( 5526 PWs) bands (ev): -5.4913 -5.4911 -5.4909 -5.4907 -4.1314 -4.1293 -4.1227 -4.1222 -1.1729 -1.1700 -1.1516 -1.1448 -0.3941 -0.3903 -0.3465 -0.3360 -0.2863 -0.2509 -0.2255 -0.2205 -0.0712 -0.0685 -0.0368 -0.0230 0.0295 0.0335 0.0371 0.0577 0.0783 0.1020 0.1185 0.1314 1.3588 1.3591 1.3674 1.3699 2.7188 2.7232 2.7527 2.7565 4.6120 4.6145 4.6195 4.6218 5.3631 5.3653 5.3743 5.3772 5.7802 5.7803 5.7852 5.7882 7.8789 7.8816 7.8820 7.8850 9.5817 9.5828 9.5915 9.5925 10.4931 10.5007 k = 0.0500 0.0359 0.8576 ( 5526 PWs) bands (ev): -5.4914 -5.4912 -5.4908 -5.4905 -4.1322 -4.1290 -4.1232 -4.1224 -1.1720 -1.1677 -1.1519 -1.1417 -0.3945 -0.3889 -0.3496 -0.3343 -0.2942 -0.2415 -0.2249 -0.2176 -0.0715 -0.0676 -0.0402 -0.0200 0.0238 0.0326 0.0377 0.0638 0.0768 0.1100 0.1194 0.1391 1.3319 1.3322 1.3400 1.3438 2.7560 2.7626 2.7895 2.7951 4.5975 4.6013 4.6052 4.6085 5.3626 5.3659 5.3736 5.3780 5.7591 5.7591 5.7635 5.7678 7.9106 7.9137 7.9146 7.9180 9.5754 9.5772 9.5843 9.5859 10.4889 10.5002 k = 0.0667 0.0478 0.8576 ( 5518 PWs) bands (ev): -5.4914 -5.4912 -5.4906 -5.4903 -4.1330 -4.1289 -4.1237 -4.1228 -1.1705 -1.1650 -1.1517 -1.1381 -0.3948 -0.3872 -0.3529 -0.3328 -0.3017 -0.2320 -0.2236 -0.2142 -0.0714 -0.0667 -0.0436 -0.0171 0.0186 0.0318 0.0380 0.0643 0.0823 0.1189 0.1218 0.1486 1.2973 1.2974 1.3046 1.3100 2.8055 2.8142 2.8384 2.8460 4.5769 4.5824 4.5853 4.5893 5.3623 5.3665 5.3731 5.3787 5.7316 5.7317 5.7359 5.7411 7.9532 7.9565 7.9583 7.9617 9.5665 9.5689 9.5739 9.5762 10.4843 10.4990 k = 0.0833 0.0598 0.8576 ( 5516 PWs) bands (ev): -5.4913 -5.4912 -5.4904 -5.4901 -4.1340 -4.1288 -4.1244 -4.1232 -1.1685 -1.1618 -1.1510 -1.1342 -0.3948 -0.3854 -0.3562 -0.3318 -0.3087 -0.2227 -0.2219 -0.2104 -0.0711 -0.0658 -0.0468 -0.0144 0.0137 0.0313 0.0383 0.0616 0.0921 0.1256 0.1286 0.1598 1.2569 1.2571 1.2636 1.2705 2.8649 2.8759 2.8974 2.9069 4.5503 4.5576 4.5596 4.5640 5.3621 5.3672 5.3727 5.3795 5.6998 5.7000 5.7041 5.7098 8.0050 8.0085 8.0110 8.0143 9.5545 9.5576 9.5601 9.5632 10.4796 10.4975 k = 0.1000 0.0718 0.8576 ( 5520 PWs) bands (ev): -5.4913 -5.4912 -5.4902 -5.4899 -4.1349 -4.1289 -4.1251 -4.1238 -1.1661 -1.1583 -1.1501 -1.1301 -0.3946 -0.3834 -0.3595 -0.3310 -0.3152 -0.2197 -0.2137 -0.2064 -0.0704 -0.0650 -0.0498 -0.0121 0.0093 0.0309 0.0383 0.0585 0.1035 0.1307 0.1390 0.1726 1.2129 1.2137 1.2188 1.2275 2.9321 2.9455 2.9642 2.9756 4.5173 4.5268 4.5280 4.5323 5.3621 5.3680 5.3725 5.3804 5.6655 5.6660 5.6700 5.6759 8.0639 8.0677 8.0706 8.0739 9.5393 9.5427 9.5432 9.5467 10.4754 10.4963 k = 0.1167 0.0837 0.8576 ( 5536 PWs) bands (ev): -5.4913 -5.4911 -5.4899 -5.4896 -4.1359 -4.1290 -4.1259 -4.1244 -1.1634 -1.1547 -1.1489 -1.1258 -0.3942 -0.3813 -0.3627 -0.3306 -0.3214 -0.2172 -0.2054 -0.2022 -0.0695 -0.0643 -0.0524 -0.0100 0.0051 0.0308 0.0382 0.0555 0.1158 0.1370 0.1502 0.1867 1.1674 1.1690 1.1723 1.1828 3.0050 3.0210 3.0366 3.0501 4.4780 4.4901 4.4905 4.4943 5.3625 5.3691 5.3727 5.3814 5.6306 5.6314 5.6355 5.6413 8.1279 8.1322 8.1351 8.1382 9.5207 9.5215 9.5253 9.5266 10.4720 10.4959 k = 0.1333 0.0957 0.8576 ( 5536 PWs) bands (ev): -5.4912 -5.4911 -5.4897 -5.4894 -4.1369 -4.1291 -4.1266 -4.1251 -1.1605 -1.1511 -1.1476 -1.1216 -0.3937 -0.3790 -0.3659 -0.3303 -0.3271 -0.2147 -0.1979 -0.1978 -0.0683 -0.0637 -0.0548 -0.0081 0.0013 0.0310 0.0381 0.0528 0.1285 0.1443 0.1620 0.2018 1.1222 1.1247 1.1258 1.1383 3.0814 3.1004 3.1128 3.1285 4.4329 4.4475 4.4478 4.4501 5.3633 5.3704 5.3732 5.3827 5.5967 5.5978 5.6020 5.6076 8.1948 8.1998 8.2023 8.2052 9.4966 9.4987 9.5030 9.5042 10.4699 10.4968 k = 0.1500 0.1076 0.8576 ( 5534 PWs) bands (ev): -5.4911 -5.4910 -5.4895 -5.4892 -4.1378 -4.1292 -4.1273 -4.1257 -1.1575 -1.1476 -1.1463 -1.1176 -0.3929 -0.3766 -0.3689 -0.3324 -0.3302 -0.2122 -0.1937 -0.1912 -0.0668 -0.0632 -0.0567 -0.0064 -0.0021 0.0315 0.0379 0.0502 0.1414 0.1525 0.1740 0.2175 1.0787 1.0809 1.0824 1.0955 3.1595 3.1820 3.1908 3.2089 4.3825 4.3999 4.4005 4.4007 5.3646 5.3720 5.3741 5.3842 5.5651 5.5666 5.5708 5.5760 8.2624 8.2681 8.2700 8.2726 9.4685 9.4737 9.4765 9.4801 10.4694 10.4993 k = 0.1667 0.1196 0.8576 ( 5528 PWs) bands (ev): -5.4910 -5.4910 -5.4893 -5.4890 -4.1386 -4.1293 -4.1280 -4.1264 -1.1546 -1.1451 -1.1444 -1.1139 -0.3919 -0.3740 -0.3718 -0.3374 -0.3301 -0.2099 -0.1897 -0.1857 -0.0652 -0.0628 -0.0583 -0.0053 -0.0051 0.0322 0.0377 0.0478 0.1538 0.1611 0.1858 0.2331 1.0386 1.0391 1.0437 1.0558 3.2368 3.2637 3.2683 3.2890 4.3282 4.3464 4.3489 4.3500 5.3664 5.3740 5.3755 5.3861 5.5368 5.5385 5.5428 5.5476 8.3283 8.3349 8.3356 8.3379 9.4380 9.4464 9.4478 9.4538 10.4705 10.5012 k = 0.1833 0.1316 0.8576 ( 5530 PWs) bands (ev): -5.4910 -5.4909 -5.4892 -5.4889 -4.1393 -4.1294 -4.1286 -4.1270 -1.1519 -1.1442 -1.1415 -1.1107 -0.3907 -0.3746 -0.3713 -0.3420 -0.3302 -0.2078 -0.1860 -0.1814 -0.0636 -0.0625 -0.0595 -0.0080 -0.0039 0.0330 0.0375 0.0456 0.1653 0.1696 0.1970 0.2479 1.0019 1.0033 1.0100 1.0205 3.3108 3.3428 3.3430 3.3662 4.2723 4.2900 4.2968 4.2978 5.3689 5.3763 5.3772 5.3883 5.5125 5.5144 5.5185 5.5231 8.3898 8.3965 8.3972 8.3984 9.4068 9.4183 9.4186 9.4267 10.4730 10.4984 k = 0.2000 0.1435 0.8576 ( 5526 PWs) bands (ev): -5.4909 -5.4909 -5.4891 -5.4887 -4.1399 -4.1294 -4.1291 -4.1276 -1.1494 -1.1436 -1.1392 -1.1081 -0.3893 -0.3772 -0.3684 -0.3463 -0.3303 -0.2062 -0.1827 -0.1784 -0.0623 -0.0621 -0.0604 -0.0103 -0.0030 0.0341 0.0373 0.0436 0.1752 0.1774 0.2068 0.2611 0.9709 0.9740 0.9825 0.9910 3.3779 3.4106 3.4167 3.4369 4.2181 4.2343 4.2468 4.2473 5.3719 5.3788 5.3790 5.3908 5.4929 5.4946 5.4984 5.5030 8.4438 8.4496 8.4510 8.4519 9.3772 9.3910 9.3915 9.4009 10.4763 10.4970 k = 0.2167 0.1555 0.8576 ( 5546 PWs) bands (ev): -5.4909 -5.4908 -5.4890 -5.4886 -4.1403 -4.1294 -4.1293 -4.1281 -1.1473 -1.1434 -1.1375 -1.1061 -0.3878 -0.3797 -0.3655 -0.3503 -0.3304 -0.2050 -0.1800 -0.1767 -0.0621 -0.0611 -0.0609 -0.0121 -0.0024 0.0353 0.0372 0.0417 0.1828 0.1837 0.2144 0.2715 0.9474 0.9520 0.9624 0.9684 3.4332 3.4669 3.4799 3.4954 4.1711 4.1841 4.2035 4.2037 5.3751 5.3806 5.3813 5.3933 5.4785 5.4797 5.4829 5.4879 8.4867 8.4913 8.4919 8.4952 9.3521 9.3680 9.3688 9.3792 10.4797 10.4967 k = 0.2333 0.1674 0.8576 ( 5560 PWs) bands (ev): -5.4908 -5.4908 -5.4889 -5.4886 -4.1406 -4.1296 -4.1292 -4.1286 -1.1456 -1.1436 -1.1364 -1.1049 -0.3861 -0.3820 -0.3627 -0.3537 -0.3304 -0.2043 -0.1779 -0.1761 -0.0620 -0.0615 -0.0601 -0.0133 -0.0021 0.0367 0.0370 0.0399 0.1876 0.1879 0.2194 0.2782 0.9327 0.9384 0.9506 0.9537 3.4706 3.5052 3.5254 3.5342 4.1391 4.1465 4.1726 4.1736 5.3782 5.3813 5.3831 5.3952 5.4700 5.4702 5.4725 5.4785 8.5150 8.5178 8.5182 8.5233 9.3351 9.3526 9.3532 9.3644 10.4822 10.4968 k = 0.2500 0.1794 0.8576 ( 5536 PWs) bands (ev): -5.4908 -5.4908 -5.4889 -5.4885 -4.1407 -4.1297 -4.1289 -4.1289 -1.1444 -1.1444 -1.1360 -1.1045 -0.3841 -0.3841 -0.3611 -0.3555 -0.3304 -0.2040 -0.1765 -0.1765 -0.0618 -0.0617 -0.0598 -0.0136 -0.0019 0.0370 0.0383 0.0383 0.1893 0.1893 0.2211 0.2805 0.9277 0.9337 0.9477 0.9477 3.4839 3.5190 3.5452 3.5452 4.1299 4.1299 4.1613 4.1627 5.3805 5.3805 5.3838 5.3960 5.4669 5.4680 5.4680 5.4752 8.5258 8.5258 8.5275 8.5331 9.3291 9.3474 9.3474 9.3592 10.4831 10.4969 Writing output data file ZnGeP2.save init_run : 3.80s CPU 13.93s WALL ( 1 calls) electrons : 1254.33s CPU 1263.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 1254.30s CPU 1263.01s WALL ( 1 calls) v_of_rho : 0.23s CPU 1.01s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.21s CPU 0.63s WALL ( 1 calls) newd : 0.75s CPU 0.89s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.16s WALL ( 284 calls) cegterg : 1185.14s CPU 1191.44s WALL ( 831 calls) Called by sum_band: Called by *egterg: h_psi : 625.91s CPU 635.70s WALL ( 14432 calls) s_psi : 65.15s CPU 65.31s WALL ( 14432 calls) g_psi : 0.95s CPU 1.05s WALL ( 13317 calls) cdiaghg : 380.51s CPU 377.56s WALL ( 13601 calls) cegterg:over : 78.56s CPU 75.96s WALL ( 13317 calls) cegterg:upda : 20.23s CPU 24.03s WALL ( 13317 calls) cegterg:last : 16.82s CPU 17.57s WALL ( 1966 calls) Called by h_psi: h_psi:vloc : 502.02s CPU 509.78s WALL ( 14432 calls) h_psi:vnl : 123.38s CPU 124.77s WALL ( 14432 calls) add_vuspsi : 48.15s CPU 52.73s WALL ( 14432 calls) General routines calbec : 75.14s CPU 71.91s WALL ( 14432 calls) fft : 0.34s CPU 1.36s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 474.24s CPU 478.97s WALL ( 1367376 calls) interpolate : 0.03s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 1.42s WALL ( 568 calls) Parallel routines fft_scatter : 271.00s CPU 271.89s WALL ( 1367399 calls) PWSCF : 22m 0.69s CPU 24m13.04s WALL This run was terminated on: 6:56:44 19Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=