Program PWSCF v.5.1.1 starts on 28Nov2015 at 21:24: 2 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: ./KIO3.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 39 11 2104 1139 169 Max 59 40 12 2109 1157 172 Sum 2819 1883 533 101139 55049 8207 bravais-lattice index = 14 lattice parameter (alat) = 11.1324 a.u. unit-cell volume = 1027.5500 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.132376 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.463451 celldm(5)= 0.463451 celldm(6)= 0.463451 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.463451 0.886123 0.000000 ) a(3) = ( 0.463451 0.280620 0.840515 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.523010 -0.376773 ) b(2) = ( 0.000000 1.128512 -0.376773 ) b(3) = ( 0.000000 0.000000 1.189747 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) I 7.00 126.90450 I( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 240 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 2) = ( 0.0156250 -0.0081720 -0.0058871), wk = 0.0041667 k( 3) = ( 0.0312500 -0.0163441 -0.0117742), wk = 0.0041667 k( 4) = ( 0.0468750 -0.0245161 -0.0176612), wk = 0.0041667 k( 5) = ( 0.0625000 -0.0326881 -0.0235483), wk = 0.0041667 k( 6) = ( 0.0781250 -0.0408601 -0.0294354), wk = 0.0041667 k( 7) = ( 0.0937500 -0.0490322 -0.0353225), wk = 0.0041667 k( 8) = ( 0.1093750 -0.0572042 -0.0412096), wk = 0.0041667 k( 9) = ( 0.1250000 -0.0653762 -0.0470966), wk = 0.0041667 k( 10) = ( 0.1406250 -0.0735482 -0.0529837), wk = 0.0041667 k( 11) = ( 0.1562500 -0.0817203 -0.0588708), wk = 0.0041667 k( 12) = ( 0.1718750 -0.0898923 -0.0647579), wk = 0.0041667 k( 13) = ( 0.1875000 -0.0980643 -0.0706450), wk = 0.0041667 k( 14) = ( 0.2031250 -0.1062363 -0.0765320), wk = 0.0041667 k( 15) = ( 0.2187500 -0.1144084 -0.0824191), wk = 0.0041667 k( 16) = ( 0.2343750 -0.1225804 -0.0883062), wk = 0.0041667 k( 17) = ( 0.2500000 -0.1307524 -0.0941933), wk = 0.0041667 k( 18) = ( 0.2656250 -0.1389244 -0.1000804), wk = 0.0041667 k( 19) = ( 0.2812500 -0.1470965 -0.1059674), wk = 0.0041667 k( 20) = ( 0.2968750 -0.1552685 -0.1118545), wk = 0.0041667 k( 21) = ( 0.3125000 -0.1634405 -0.1177416), wk = 0.0041667 k( 22) = ( 0.3281250 -0.1716125 -0.1236287), wk = 0.0041667 k( 23) = ( 0.3437500 -0.1797846 -0.1295158), wk = 0.0041667 k( 24) = ( 0.3593750 -0.1879566 -0.1354028), wk = 0.0041667 k( 25) = ( 0.3750000 -0.1961286 -0.1412899), wk = 0.0041667 k( 26) = ( 0.3906250 -0.2043006 -0.1471770), wk = 0.0041667 k( 27) = ( 0.4062500 -0.2124727 -0.1530641), wk = 0.0041667 k( 28) = ( 0.4218750 -0.2206447 -0.1589512), wk = 0.0041667 k( 29) = ( 0.4375000 -0.2288167 -0.1648382), wk = 0.0041667 k( 30) = ( 0.4531250 -0.2369887 -0.1707253), wk = 0.0041667 k( 31) = ( 0.4687500 -0.2451608 -0.1766124), wk = 0.0041667 k( 32) = ( 0.4843750 -0.2533328 -0.1824995), wk = 0.0041667 k( 33) = ( 0.5000000 -0.2615048 -0.1883866), wk = 0.0041667 k( 34) = ( 0.5000000 -0.2615048 -0.1883866), wk = 0.0041667 k( 35) = ( 0.5000000 -0.2506592 -0.2034416), wk = 0.0041667 k( 36) = ( 0.5000000 -0.2398136 -0.2184967), wk = 0.0041667 k( 37) = ( 0.5000000 -0.2289681 -0.2335518), wk = 0.0041667 k( 38) = ( 0.5000000 -0.2181225 -0.2486068), wk = 0.0041667 k( 39) = ( 0.5000000 -0.2072769 -0.2636619), wk = 0.0041667 k( 40) = ( 0.5000000 -0.1964313 -0.2787170), wk = 0.0041667 k( 41) = ( 0.5000000 -0.1855857 -0.2937720), wk = 0.0041667 k( 42) = ( 0.5000000 -0.1747401 -0.3088271), wk = 0.0041667 k( 43) = ( 0.5000000 -0.1638946 -0.3238821), wk = 0.0041667 k( 44) = ( 0.5000000 -0.1530490 -0.3389372), wk = 0.0041667 k( 45) = ( 0.5000000 -0.1422034 -0.3539923), wk = 0.0041667 k( 46) = ( 0.5000000 -0.1313578 -0.3690473), wk = 0.0041667 k( 47) = ( 0.5000000 -0.1205122 -0.3841024), wk = 0.0041667 k( 48) = ( 0.5000000 -0.1096667 -0.3991575), wk = 0.0041667 k( 49) = ( 0.5000000 -0.0988211 -0.4142125), wk = 0.0041667 k( 50) = ( 0.5000000 -0.0879755 -0.4292676), wk = 0.0041667 k( 51) = ( 0.5000000 -0.0771299 -0.4443227), wk = 0.0041667 k( 52) = ( 0.5000000 -0.0662843 -0.4593777), wk = 0.0041667 k( 53) = ( 0.5000000 -0.0554387 -0.4744328), wk = 0.0041667 k( 54) = ( 0.5000000 -0.0445932 -0.4894879), wk = 0.0041667 k( 55) = ( 0.5000000 -0.0337476 -0.5045429), wk = 0.0041667 k( 56) = ( 0.5000000 -0.0229020 -0.5195980), wk = 0.0041667 k( 57) = ( 0.5000000 -0.0120564 -0.5346531), wk = 0.0041667 k( 58) = ( 0.5000000 -0.0012108 -0.5497081), wk = 0.0041667 k( 59) = ( 0.5000000 0.0096347 -0.5647632), wk = 0.0041667 k( 60) = ( 0.5000000 0.0204803 -0.5798183), wk = 0.0041667 k( 61) = ( 0.5000000 0.0313259 -0.5948733), wk = 0.0041667 k( 62) = ( 0.7405160 0.1769589 -0.1586730), wk = 0.0041667 k( 63) = ( 0.7308954 0.1819906 -0.1436020), wk = 0.0041667 k( 64) = ( 0.7212748 0.1870223 -0.1285311), wk = 0.0041667 k( 65) = ( 0.7116541 0.1920540 -0.1134602), wk = 0.0041667 k( 66) = ( 0.7020335 0.1970857 -0.0983893), wk = 0.0041667 k( 67) = ( 0.6924128 0.2021174 -0.0833183), wk = 0.0041667 k( 68) = ( 0.6827922 0.2071491 -0.0682474), wk = 0.0041667 k( 69) = ( 0.6731715 0.2121807 -0.0531765), wk = 0.0041667 k( 70) = ( 0.6635509 0.2172124 -0.0381056), wk = 0.0041667 k( 71) = ( 0.6539303 0.2222441 -0.0230346), wk = 0.0041667 k( 72) = ( 0.6443096 0.2272758 -0.0079637), wk = 0.0041667 k( 73) = ( 0.6346890 0.2323075 0.0071072), wk = 0.0041667 k( 74) = ( 0.6250683 0.2373392 0.0221782), wk = 0.0041667 k( 75) = ( 0.6154477 0.2423709 0.0372491), wk = 0.0041667 k( 76) = ( 0.6058271 0.2474026 0.0523200), wk = 0.0041667 k( 77) = ( 0.5962064 0.2524342 0.0673909), wk = 0.0041667 k( 78) = ( 0.5865858 0.2574659 0.0824618), wk = 0.0041667 k( 79) = ( 0.5769651 0.2624976 0.0975328), wk = 0.0041667 k( 80) = ( 0.5673445 0.2675293 0.1126037), wk = 0.0041667 k( 81) = ( 0.5577239 0.2725610 0.1276746), wk = 0.0041667 k( 82) = ( 0.5481032 0.2775927 0.1427456), wk = 0.0041667 k( 83) = ( 0.5384826 0.2826244 0.1578165), wk = 0.0041667 k( 84) = ( 0.5288619 0.2876561 0.1728874), wk = 0.0041667 k( 85) = ( 0.5192413 0.2926878 0.1879583), wk = 0.0041667 k( 86) = ( 0.5096206 0.2977194 0.2030293), wk = 0.0041667 k( 87) = ( 0.5000000 0.3027511 0.2181002), wk = 0.0041667 k( 88) = ( 0.5000000 0.3027511 0.2181002), wk = 0.0041667 k( 89) = ( 0.4852941 0.2938467 0.2116855), wk = 0.0041667 k( 90) = ( 0.4705882 0.2849422 0.2052708), wk = 0.0041667 k( 91) = ( 0.4558823 0.2760378 0.1988560), wk = 0.0041667 k( 92) = ( 0.4411765 0.2671333 0.1924413), wk = 0.0041667 k( 93) = ( 0.4264706 0.2582289 0.1860266), wk = 0.0041667 k( 94) = ( 0.4117647 0.2493245 0.1796119), wk = 0.0041667 k( 95) = ( 0.3970588 0.2404200 0.1731972), wk = 0.0041667 k( 96) = ( 0.3823529 0.2315156 0.1667825), wk = 0.0041667 k( 97) = ( 0.3676471 0.2226111 0.1603678), wk = 0.0041667 k( 98) = ( 0.3529412 0.2137067 0.1539531), wk = 0.0041667 k( 99) = ( 0.3382353 0.2048022 0.1475384), wk = 0.0041667 k( 100) = ( 0.3235294 0.1958978 0.1411236), wk = 0.0041667 k( 101) = ( 0.3088235 0.1869933 0.1347089), wk = 0.0041667 k( 102) = ( 0.2941177 0.1780889 0.1282942), wk = 0.0041667 k( 103) = ( 0.2794118 0.1691845 0.1218795), wk = 0.0041667 k( 104) = ( 0.2647059 0.1602800 0.1154648), wk = 0.0041667 k( 105) = ( 0.2500000 0.1513756 0.1090501), wk = 0.0041667 k( 106) = ( 0.2352941 0.1424711 0.1026354), wk = 0.0041667 k( 107) = ( 0.2205882 0.1335667 0.0962207), wk = 0.0041667 k( 108) = ( 0.2058823 0.1246622 0.0898060), wk = 0.0041667 k( 109) = ( 0.1911765 0.1157578 0.0833912), wk = 0.0041667 k( 110) = ( 0.1764706 0.1068533 0.0769765), wk = 0.0041667 k( 111) = ( 0.1617647 0.0979489 0.0705618), wk = 0.0041667 k( 112) = ( 0.1470588 0.0890444 0.0641471), wk = 0.0041667 k( 113) = ( 0.1323529 0.0801400 0.0577324), wk = 0.0041667 k( 114) = ( 0.1176471 0.0712356 0.0513177), wk = 0.0041667 k( 115) = ( 0.1029412 0.0623311 0.0449030), wk = 0.0041667 k( 116) = ( 0.0882353 0.0534267 0.0384883), wk = 0.0041667 k( 117) = ( 0.0735294 0.0445222 0.0320736), wk = 0.0041667 k( 118) = ( 0.0588235 0.0356178 0.0256588), wk = 0.0041667 k( 119) = ( 0.0441177 0.0267133 0.0192441), wk = 0.0041667 k( 120) = ( 0.0294118 0.0178089 0.0128294), wk = 0.0041667 k( 121) = ( 0.0147059 0.0089044 0.0064147), wk = 0.0041667 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 124) = ( 0.0094935 -0.0049652 -0.0148718), wk = 0.0041667 k( 125) = ( 0.0189871 -0.0099304 -0.0297437), wk = 0.0041667 k( 126) = ( 0.0284806 -0.0148957 -0.0446155), wk = 0.0041667 k( 127) = ( 0.0379742 -0.0198609 -0.0594873), wk = 0.0041667 k( 128) = ( 0.0474678 -0.0248261 -0.0743592), wk = 0.0041667 k( 129) = ( 0.0569613 -0.0297913 -0.0892310), wk = 0.0041667 k( 130) = ( 0.0664548 -0.0347565 -0.1041028), wk = 0.0041667 k( 131) = ( 0.0759484 -0.0397217 -0.1189747), wk = 0.0041667 k( 132) = ( 0.0854420 -0.0446870 -0.1338465), wk = 0.0041667 k( 133) = ( 0.0949355 -0.0496522 -0.1487183), wk = 0.0041667 k( 134) = ( 0.1044290 -0.0546174 -0.1635902), wk = 0.0041667 k( 135) = ( 0.1139226 -0.0595826 -0.1784620), wk = 0.0041667 k( 136) = ( 0.1234161 -0.0645478 -0.1933338), wk = 0.0041667 k( 137) = ( 0.1329097 -0.0695130 -0.2082057), wk = 0.0041667 k( 138) = ( 0.1424032 -0.0744783 -0.2230775), wk = 0.0041667 k( 139) = ( 0.1518968 -0.0794435 -0.2379493), wk = 0.0041667 k( 140) = ( 0.1613903 -0.0844087 -0.2528212), wk = 0.0041667 k( 141) = ( 0.1708839 -0.0893739 -0.2676930), wk = 0.0041667 k( 142) = ( 0.1803774 -0.0943391 -0.2825648), wk = 0.0041667 k( 143) = ( 0.1898710 -0.0993044 -0.2974367), wk = 0.0041667 k( 144) = ( 0.1993645 -0.1042696 -0.3123085), wk = 0.0041667 k( 145) = ( 0.2088581 -0.1092348 -0.3271803), wk = 0.0041667 k( 146) = ( 0.2183516 -0.1142000 -0.3420522), wk = 0.0041667 k( 147) = ( 0.2278452 -0.1191652 -0.3569240), wk = 0.0041667 k( 148) = ( 0.2373387 -0.1241304 -0.3717958), wk = 0.0041667 k( 149) = ( 0.2468323 -0.1290957 -0.3866677), wk = 0.0041667 k( 150) = ( 0.2563258 -0.1340609 -0.4015395), wk = 0.0041667 k( 151) = ( 0.2658194 -0.1390261 -0.4164113), wk = 0.0041667 k( 152) = ( 0.2753129 -0.1439913 -0.4312831), wk = 0.0041667 k( 153) = ( 0.2848065 -0.1489565 -0.4461550), wk = 0.0041667 k( 154) = ( 0.2943000 -0.1539217 -0.4610268), wk = 0.0041667 k( 155) = ( 0.3037936 -0.1588870 -0.4758987), wk = 0.0041667 k( 156) = ( 0.3132871 -0.1638522 -0.4907705), wk = 0.0041667 k( 157) = ( 0.3227807 -0.1688174 -0.5056423), wk = 0.0041667 k( 158) = ( 0.3322742 -0.1737826 -0.5205142), wk = 0.0041667 k( 159) = ( 0.3417678 -0.1787478 -0.5353860), wk = 0.0041667 k( 160) = ( 0.3512613 -0.1837131 -0.5502578), wk = 0.0041667 k( 161) = ( 0.3607549 -0.1886783 -0.5651297), wk = 0.0041667 k( 162) = ( 0.3702484 -0.1936435 -0.5800015), wk = 0.0041667 k( 163) = ( 0.3797420 -0.1986087 -0.5948733), wk = 0.0041667 k( 164) = ( 0.6202580 0.1041424 -0.3767731), wk = 0.0041667 k( 165) = ( 0.6110074 0.1194200 -0.3767731), wk = 0.0041667 k( 166) = ( 0.6017568 0.1346976 -0.3767731), wk = 0.0041667 k( 167) = ( 0.5925062 0.1499752 -0.3767731), wk = 0.0041667 k( 168) = ( 0.5832555 0.1652528 -0.3767731), wk = 0.0041667 k( 169) = ( 0.5740049 0.1805304 -0.3767731), wk = 0.0041667 k( 170) = ( 0.5647543 0.1958080 -0.3767731), wk = 0.0041667 k( 171) = ( 0.5555037 0.2110856 -0.3767731), wk = 0.0041667 k( 172) = ( 0.5462531 0.2263632 -0.3767731), wk = 0.0041667 k( 173) = ( 0.5370025 0.2416408 -0.3767731), wk = 0.0041667 k( 174) = ( 0.5277519 0.2569184 -0.3767731), wk = 0.0041667 k( 175) = ( 0.5185012 0.2721960 -0.3767731), wk = 0.0041667 k( 176) = ( 0.5092506 0.2874735 -0.3767731), wk = 0.0041667 k( 177) = ( 0.5000000 0.3027511 -0.3767731), wk = 0.0041667 k( 178) = ( 0.5000000 0.3027511 -0.3767731), wk = 0.0041667 k( 179) = ( 0.5085899 0.3079523 -0.3611946), wk = 0.0041667 k( 180) = ( 0.5171797 0.3131535 -0.3456160), wk = 0.0041667 k( 181) = ( 0.5257696 0.3183547 -0.3300374), wk = 0.0041667 k( 182) = ( 0.5343594 0.3235558 -0.3144588), wk = 0.0041667 k( 183) = ( 0.5429493 0.3287570 -0.2988802), wk = 0.0041667 k( 184) = ( 0.5515391 0.3339582 -0.2833016), wk = 0.0041667 k( 185) = ( 0.5601290 0.3391594 -0.2677230), wk = 0.0041667 k( 186) = ( 0.5687189 0.3443606 -0.2521445), wk = 0.0041667 k( 187) = ( 0.5773087 0.3495617 -0.2365659), wk = 0.0041667 k( 188) = ( 0.5858986 0.3547629 -0.2209873), wk = 0.0041667 k( 189) = ( 0.5944884 0.3599641 -0.2054087), wk = 0.0041667 k( 190) = ( 0.6030783 0.3651653 -0.1898301), wk = 0.0041667 k( 191) = ( 0.6116682 0.3703665 -0.1742515), wk = 0.0041667 k( 192) = ( 0.6202580 0.3755676 -0.1586730), wk = 0.0041667 k( 193) = ( 0.6202580 0.3755676 -0.1586730), wk = 0.0041667 k( 194) = ( 0.6147917 0.3722578 -0.1415469), wk = 0.0041667 k( 195) = ( 0.6093255 0.3689479 -0.1244209), wk = 0.0041667 k( 196) = ( 0.6038592 0.3656381 -0.1072948), wk = 0.0041667 k( 197) = ( 0.5983929 0.3623283 -0.0901687), wk = 0.0041667 k( 198) = ( 0.5929266 0.3590184 -0.0730427), wk = 0.0041667 k( 199) = ( 0.5874604 0.3557086 -0.0559166), wk = 0.0041667 k( 200) = ( 0.5819941 0.3523987 -0.0387906), wk = 0.0041667 k( 201) = ( 0.5765278 0.3490889 -0.0216645), wk = 0.0041667 k( 202) = ( 0.5710616 0.3457791 -0.0045385), wk = 0.0041667 k( 203) = ( 0.5655953 0.3424692 0.0125876), wk = 0.0041667 k( 204) = ( 0.5601290 0.3391594 0.0297136), wk = 0.0041667 k( 205) = ( 0.5546627 0.3358495 0.0468397), wk = 0.0041667 k( 206) = ( 0.5491965 0.3325397 0.0639657), wk = 0.0041667 k( 207) = ( 0.5437302 0.3292299 0.0810918), wk = 0.0041667 k( 208) = ( 0.5382639 0.3259200 0.0982178), wk = 0.0041667 k( 209) = ( 0.5327976 0.3226102 0.1153439), wk = 0.0041667 k( 210) = ( 0.5273314 0.3193003 0.1324699), wk = 0.0041667 k( 211) = ( 0.5218651 0.3159905 0.1495960), wk = 0.0041667 k( 212) = ( 0.5163988 0.3126807 0.1667220), wk = 0.0041667 k( 213) = ( 0.5109326 0.3093708 0.1838481), wk = 0.0041667 k( 214) = ( 0.5054663 0.3060610 0.2009741), wk = 0.0041667 k( 215) = ( 0.5000000 0.3027511 0.2181002), wk = 0.0041667 k( 216) = ( 0.5000000 -0.2615048 -0.1883866), wk = 0.0041667 k( 217) = ( 0.5100215 -0.2488902 -0.1792991), wk = 0.0041667 k( 218) = ( 0.5200430 -0.2362756 -0.1702116), wk = 0.0041667 k( 219) = ( 0.5300645 -0.2236609 -0.1611240), wk = 0.0041667 k( 220) = ( 0.5400860 -0.2110463 -0.1520365), wk = 0.0041667 k( 221) = ( 0.5501075 -0.1984317 -0.1429490), wk = 0.0041667 k( 222) = ( 0.5601290 -0.1858170 -0.1338615), wk = 0.0041667 k( 223) = ( 0.5701505 -0.1732024 -0.1247740), wk = 0.0041667 k( 224) = ( 0.5801720 -0.1605878 -0.1156865), wk = 0.0041667 k( 225) = ( 0.5901935 -0.1479731 -0.1065990), wk = 0.0041667 k( 226) = ( 0.6002150 -0.1353585 -0.0975115), wk = 0.0041667 k( 227) = ( 0.6102365 -0.1227439 -0.0884240), wk = 0.0041667 k( 228) = ( 0.6202580 -0.1101292 -0.0793365), wk = 0.0041667 k( 229) = ( 0.6302795 -0.0975146 -0.0702490), wk = 0.0041667 k( 230) = ( 0.6403010 -0.0849000 -0.0611615), wk = 0.0041667 k( 231) = ( 0.6503225 -0.0722854 -0.0520740), wk = 0.0041667 k( 232) = ( 0.6603440 -0.0596707 -0.0429864), wk = 0.0041667 k( 233) = ( 0.6703655 -0.0470561 -0.0338989), wk = 0.0041667 k( 234) = ( 0.6803870 -0.0344415 -0.0248114), wk = 0.0041667 k( 235) = ( 0.6904085 -0.0218268 -0.0157239), wk = 0.0041667 k( 236) = ( 0.7004300 -0.0092122 -0.0066364), wk = 0.0041667 k( 237) = ( 0.7104515 0.0034024 0.0024511), wk = 0.0041667 k( 238) = ( 0.7204730 0.0160171 0.0115386), wk = 0.0041667 k( 239) = ( 0.7304945 0.0286317 0.0206261), wk = 0.0041667 k( 240) = ( 0.7405160 0.0412463 0.0297136), wk = 0.0041667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 2) = ( 0.0156250 0.0000000 -0.0000000), wk = 0.0041667 k( 3) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0041667 k( 4) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0041667 k( 5) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0041667 k( 6) = ( 0.0781250 0.0000000 -0.0000000), wk = 0.0041667 k( 7) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0041667 k( 8) = ( 0.1093750 -0.0000000 0.0000000), wk = 0.0041667 k( 9) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0041667 k( 10) = ( 0.1406250 0.0000000 0.0000000), wk = 0.0041667 k( 11) = ( 0.1562500 0.0000000 -0.0000000), wk = 0.0041667 k( 12) = ( 0.1718750 0.0000000 -0.0000000), wk = 0.0041667 k( 13) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0041667 k( 14) = ( 0.2031250 0.0000000 0.0000000), wk = 0.0041667 k( 15) = ( 0.2187500 -0.0000000 0.0000000), wk = 0.0041667 k( 16) = ( 0.2343750 0.0000000 -0.0000000), wk = 0.0041667 k( 17) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0041667 k( 18) = ( 0.2656250 -0.0000000 0.0000000), wk = 0.0041667 k( 19) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0041667 k( 20) = ( 0.2968750 -0.0000000 -0.0000000), wk = 0.0041667 k( 21) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0041667 k( 22) = ( 0.3281250 0.0000000 0.0000000), wk = 0.0041667 k( 23) = ( 0.3437500 0.0000000 -0.0000000), wk = 0.0041667 k( 24) = ( 0.3593750 0.0000000 0.0000000), wk = 0.0041667 k( 25) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0041667 k( 26) = ( 0.3906250 0.0000000 -0.0000000), wk = 0.0041667 k( 27) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0041667 k( 28) = ( 0.4218750 0.0000000 0.0000000), wk = 0.0041667 k( 29) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0041667 k( 30) = ( 0.4531250 0.0000000 0.0000000), wk = 0.0041667 k( 31) = ( 0.4687500 0.0000000 -0.0000000), wk = 0.0041667 k( 32) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0041667 k( 33) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041667 k( 34) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041667 k( 35) = ( 0.5000000 0.0096105 -0.0096105), wk = 0.0041667 k( 36) = ( 0.5000000 0.0192210 -0.0192210), wk = 0.0041667 k( 37) = ( 0.5000000 0.0288315 -0.0288316), wk = 0.0041667 k( 38) = ( 0.5000000 0.0384421 -0.0384421), wk = 0.0041667 k( 39) = ( 0.5000000 0.0480526 -0.0480526), wk = 0.0041667 k( 40) = ( 0.5000000 0.0576631 -0.0576631), wk = 0.0041667 k( 41) = ( 0.5000000 0.0672736 -0.0672736), wk = 0.0041667 k( 42) = ( 0.5000000 0.0768841 -0.0768841), wk = 0.0041667 k( 43) = ( 0.5000000 0.0864946 -0.0864947), wk = 0.0041667 k( 44) = ( 0.5000000 0.0961052 -0.0961052), wk = 0.0041667 k( 45) = ( 0.5000000 0.1057157 -0.1057157), wk = 0.0041667 k( 46) = ( 0.5000000 0.1153262 -0.1153262), wk = 0.0041667 k( 47) = ( 0.5000000 0.1249367 -0.1249367), wk = 0.0041667 k( 48) = ( 0.5000000 0.1345472 -0.1345472), wk = 0.0041667 k( 49) = ( 0.5000000 0.1441578 -0.1441578), wk = 0.0041667 k( 50) = ( 0.5000000 0.1537683 -0.1537683), wk = 0.0041667 k( 51) = ( 0.5000000 0.1633788 -0.1633788), wk = 0.0041667 k( 52) = ( 0.5000000 0.1729893 -0.1729893), wk = 0.0041667 k( 53) = ( 0.5000000 0.1825998 -0.1825998), wk = 0.0041667 k( 54) = ( 0.5000000 0.1922103 -0.1922103), wk = 0.0041667 k( 55) = ( 0.5000000 0.2018209 -0.2018209), wk = 0.0041667 k( 56) = ( 0.5000000 0.2114314 -0.2114314), wk = 0.0041667 k( 57) = ( 0.5000000 0.2210419 -0.2210419), wk = 0.0041667 k( 58) = ( 0.5000000 0.2306524 -0.2306524), wk = 0.0041667 k( 59) = ( 0.5000000 0.2402629 -0.2402629), wk = 0.0041667 k( 60) = ( 0.5000000 0.2498734 -0.2498734), wk = 0.0041667 k( 61) = ( 0.5000000 0.2594840 -0.2594840), wk = 0.0041667 k( 62) = ( 0.7405160 0.5000000 0.2594840), wk = 0.0041667 k( 63) = ( 0.7308954 0.5000000 0.2691046), wk = 0.0041667 k( 64) = ( 0.7212748 0.5000000 0.2787252), wk = 0.0041667 k( 65) = ( 0.7116541 0.5000000 0.2883459), wk = 0.0041667 k( 66) = ( 0.7020335 0.5000000 0.2979665), wk = 0.0041667 k( 67) = ( 0.6924128 0.5000000 0.3075872), wk = 0.0041667 k( 68) = ( 0.6827922 0.5000000 0.3172078), wk = 0.0041667 k( 69) = ( 0.6731715 0.5000000 0.3268284), wk = 0.0041667 k( 70) = ( 0.6635509 0.5000000 0.3364491), wk = 0.0041667 k( 71) = ( 0.6539303 0.5000000 0.3460697), wk = 0.0041667 k( 72) = ( 0.6443096 0.5000000 0.3556904), wk = 0.0041667 k( 73) = ( 0.6346890 0.5000000 0.3653110), wk = 0.0041667 k( 74) = ( 0.6250683 0.5000000 0.3749317), wk = 0.0041667 k( 75) = ( 0.6154477 0.5000000 0.3845523), wk = 0.0041667 k( 76) = ( 0.6058271 0.5000000 0.3941729), wk = 0.0041667 k( 77) = ( 0.5962064 0.5000000 0.4037936), wk = 0.0041667 k( 78) = ( 0.5865858 0.5000000 0.4134142), wk = 0.0041667 k( 79) = ( 0.5769651 0.5000000 0.4230349), wk = 0.0041667 k( 80) = ( 0.5673445 0.5000000 0.4326555), wk = 0.0041667 k( 81) = ( 0.5577239 0.5000000 0.4422762), wk = 0.0041667 k( 82) = ( 0.5481032 0.5000000 0.4518968), wk = 0.0041667 k( 83) = ( 0.5384826 0.5000000 0.4615174), wk = 0.0041667 k( 84) = ( 0.5288619 0.5000000 0.4711381), wk = 0.0041667 k( 85) = ( 0.5192413 0.5000000 0.4807587), wk = 0.0041667 k( 86) = ( 0.5096206 0.5000000 0.4903794), wk = 0.0041667 k( 87) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041667 k( 88) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041667 k( 89) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0041667 k( 90) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0041667 k( 91) = ( 0.4558823 0.4558824 0.4558824), wk = 0.0041667 k( 92) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0041667 k( 93) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0041667 k( 94) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0041667 k( 95) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0041667 k( 96) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0041667 k( 97) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0041667 k( 98) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0041667 k( 99) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0041667 k( 100) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0041667 k( 101) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0041667 k( 102) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0041667 k( 103) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0041667 k( 104) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0041667 k( 105) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0041667 k( 106) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0041667 k( 107) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0041667 k( 108) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0041667 k( 109) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0041667 k( 110) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0041667 k( 111) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0041667 k( 112) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0041667 k( 113) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0041667 k( 114) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0041667 k( 115) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0041667 k( 116) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0041667 k( 117) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0041667 k( 118) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0041667 k( 119) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0041667 k( 120) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0041667 k( 121) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0041667 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 124) = ( 0.0094935 0.0000000 -0.0094936), wk = 0.0041667 k( 125) = ( 0.0189871 0.0000000 -0.0189871), wk = 0.0041667 k( 126) = ( 0.0284806 0.0000000 -0.0284806), wk = 0.0041667 k( 127) = ( 0.0379742 0.0000000 -0.0379742), wk = 0.0041667 k( 128) = ( 0.0474678 0.0000000 -0.0474678), wk = 0.0041667 k( 129) = ( 0.0569613 0.0000000 -0.0569613), wk = 0.0041667 k( 130) = ( 0.0664548 0.0000000 -0.0664549), wk = 0.0041667 k( 131) = ( 0.0759484 0.0000000 -0.0759484), wk = 0.0041667 k( 132) = ( 0.0854420 0.0000000 -0.0854420), wk = 0.0041667 k( 133) = ( 0.0949355 0.0000000 -0.0949355), wk = 0.0041667 k( 134) = ( 0.1044290 -0.0000000 -0.1044290), wk = 0.0041667 k( 135) = ( 0.1139226 -0.0000000 -0.1139226), wk = 0.0041667 k( 136) = ( 0.1234161 0.0000000 -0.1234161), wk = 0.0041667 k( 137) = ( 0.1329097 0.0000000 -0.1329097), wk = 0.0041667 k( 138) = ( 0.1424032 0.0000000 -0.1424032), wk = 0.0041667 k( 139) = ( 0.1518968 0.0000000 -0.1518968), wk = 0.0041667 k( 140) = ( 0.1613903 -0.0000000 -0.1613903), wk = 0.0041667 k( 141) = ( 0.1708839 0.0000000 -0.1708839), wk = 0.0041667 k( 142) = ( 0.1803774 0.0000000 -0.1803774), wk = 0.0041667 k( 143) = ( 0.1898710 0.0000000 -0.1898710), wk = 0.0041667 k( 144) = ( 0.1993645 0.0000000 -0.1993645), wk = 0.0041667 k( 145) = ( 0.2088581 0.0000000 -0.2088581), wk = 0.0041667 k( 146) = ( 0.2183516 0.0000000 -0.2183516), wk = 0.0041667 k( 147) = ( 0.2278452 0.0000000 -0.2278452), wk = 0.0041667 k( 148) = ( 0.2373387 0.0000000 -0.2373387), wk = 0.0041667 k( 149) = ( 0.2468323 0.0000000 -0.2468323), wk = 0.0041667 k( 150) = ( 0.2563258 0.0000000 -0.2563258), wk = 0.0041667 k( 151) = ( 0.2658194 0.0000000 -0.2658194), wk = 0.0041667 k( 152) = ( 0.2753129 0.0000000 -0.2753129), wk = 0.0041667 k( 153) = ( 0.2848065 0.0000000 -0.2848065), wk = 0.0041667 k( 154) = ( 0.2943000 0.0000000 -0.2943000), wk = 0.0041667 k( 155) = ( 0.3037936 0.0000000 -0.3037936), wk = 0.0041667 k( 156) = ( 0.3132871 0.0000000 -0.3132871), wk = 0.0041667 k( 157) = ( 0.3227807 -0.0000000 -0.3227807), wk = 0.0041667 k( 158) = ( 0.3322742 0.0000000 -0.3322742), wk = 0.0041667 k( 159) = ( 0.3417678 0.0000000 -0.3417678), wk = 0.0041667 k( 160) = ( 0.3512613 0.0000000 -0.3512613), wk = 0.0041667 k( 161) = ( 0.3607549 0.0000000 -0.3607549), wk = 0.0041667 k( 162) = ( 0.3702484 0.0000000 -0.3702484), wk = 0.0041667 k( 163) = ( 0.3797420 0.0000000 -0.3797420), wk = 0.0041667 k( 164) = ( 0.6202580 0.3797420 0.0000000), wk = 0.0041667 k( 165) = ( 0.6110074 0.3889926 -0.0000000), wk = 0.0041667 k( 166) = ( 0.6017568 0.3982432 -0.0000000), wk = 0.0041667 k( 167) = ( 0.5925062 0.4074938 0.0000000), wk = 0.0041667 k( 168) = ( 0.5832555 0.4167444 -0.0000000), wk = 0.0041667 k( 169) = ( 0.5740049 0.4259951 0.0000000), wk = 0.0041667 k( 170) = ( 0.5647543 0.4352457 -0.0000000), wk = 0.0041667 k( 171) = ( 0.5555037 0.4444963 0.0000000), wk = 0.0041667 k( 172) = ( 0.5462531 0.4537469 -0.0000000), wk = 0.0041667 k( 173) = ( 0.5370025 0.4629975 0.0000000), wk = 0.0041667 k( 174) = ( 0.5277519 0.4722481 -0.0000000), wk = 0.0041667 k( 175) = ( 0.5185012 0.4814988 -0.0000000), wk = 0.0041667 k( 176) = ( 0.5092506 0.4907494 -0.0000000), wk = 0.0041667 k( 177) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0041667 k( 178) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0041667 k( 179) = ( 0.5085899 0.5085899 0.0185346), wk = 0.0041667 k( 180) = ( 0.5171797 0.5171797 0.0370691), wk = 0.0041667 k( 181) = ( 0.5257696 0.5257696 0.0556037), wk = 0.0041667 k( 182) = ( 0.5343594 0.5343594 0.0741383), wk = 0.0041667 k( 183) = ( 0.5429493 0.5429493 0.0926728), wk = 0.0041667 k( 184) = ( 0.5515391 0.5515391 0.1112074), wk = 0.0041667 k( 185) = ( 0.5601290 0.5601290 0.1297420), wk = 0.0041667 k( 186) = ( 0.5687189 0.5687189 0.1482766), wk = 0.0041667 k( 187) = ( 0.5773087 0.5773087 0.1668111), wk = 0.0041667 k( 188) = ( 0.5858986 0.5858986 0.1853457), wk = 0.0041667 k( 189) = ( 0.5944884 0.5944885 0.2038803), wk = 0.0041667 k( 190) = ( 0.6030783 0.6030783 0.2224148), wk = 0.0041667 k( 191) = ( 0.6116682 0.6116682 0.2409494), wk = 0.0041667 k( 192) = ( 0.6202580 0.6202580 0.2594840), wk = 0.0041667 k( 193) = ( 0.6202580 0.6202580 0.2594840), wk = 0.0041667 k( 194) = ( 0.6147917 0.6147917 0.2704165), wk = 0.0041667 k( 195) = ( 0.6093255 0.6093255 0.2813490), wk = 0.0041667 k( 196) = ( 0.6038592 0.6038592 0.2922816), wk = 0.0041667 k( 197) = ( 0.5983929 0.5983929 0.3032142), wk = 0.0041667 k( 198) = ( 0.5929266 0.5929266 0.3141467), wk = 0.0041667 k( 199) = ( 0.5874604 0.5874604 0.3250792), wk = 0.0041667 k( 200) = ( 0.5819941 0.5819941 0.3360118), wk = 0.0041667 k( 201) = ( 0.5765278 0.5765278 0.3469443), wk = 0.0041667 k( 202) = ( 0.5710616 0.5710616 0.3578769), wk = 0.0041667 k( 203) = ( 0.5655953 0.5655953 0.3688094), wk = 0.0041667 k( 204) = ( 0.5601290 0.5601290 0.3797420), wk = 0.0041667 k( 205) = ( 0.5546627 0.5546627 0.3906745), wk = 0.0041667 k( 206) = ( 0.5491965 0.5491965 0.4016071), wk = 0.0041667 k( 207) = ( 0.5437302 0.5437302 0.4125396), wk = 0.0041667 k( 208) = ( 0.5382639 0.5382639 0.4234722), wk = 0.0041667 k( 209) = ( 0.5327976 0.5327976 0.4344047), wk = 0.0041667 k( 210) = ( 0.5273314 0.5273314 0.4453373), wk = 0.0041667 k( 211) = ( 0.5218651 0.5218651 0.4562698), wk = 0.0041667 k( 212) = ( 0.5163988 0.5163988 0.4672024), wk = 0.0041667 k( 213) = ( 0.5109326 0.5109326 0.4781349), wk = 0.0041667 k( 214) = ( 0.5054663 0.5054663 0.4890675), wk = 0.0041667 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041667 k( 216) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041667 k( 217) = ( 0.5100215 0.0158226 0.0158226), wk = 0.0041667 k( 218) = ( 0.5200430 0.0316452 0.0316452), wk = 0.0041667 k( 219) = ( 0.5300645 0.0474678 0.0474677), wk = 0.0041667 k( 220) = ( 0.5400860 0.0632903 0.0632903), wk = 0.0041667 k( 221) = ( 0.5501075 0.0791129 0.0791129), wk = 0.0041667 k( 222) = ( 0.5601290 0.0949355 0.0949355), wk = 0.0041667 k( 223) = ( 0.5701505 0.1107581 0.1107581), wk = 0.0041667 k( 224) = ( 0.5801720 0.1265807 0.1265807), wk = 0.0041667 k( 225) = ( 0.5901935 0.1424032 0.1424032), wk = 0.0041667 k( 226) = ( 0.6002150 0.1582258 0.1582258), wk = 0.0041667 k( 227) = ( 0.6102365 0.1740484 0.1740484), wk = 0.0041667 k( 228) = ( 0.6202580 0.1898710 0.1898710), wk = 0.0041667 k( 229) = ( 0.6302795 0.2056936 0.2056936), wk = 0.0041667 k( 230) = ( 0.6403010 0.2215161 0.2215161), wk = 0.0041667 k( 231) = ( 0.6503225 0.2373387 0.2373387), wk = 0.0041667 k( 232) = ( 0.6603440 0.2531613 0.2531613), wk = 0.0041667 k( 233) = ( 0.6703655 0.2689839 0.2689839), wk = 0.0041667 k( 234) = ( 0.6803870 0.2848065 0.2848065), wk = 0.0041667 k( 235) = ( 0.6904085 0.3006291 0.3006291), wk = 0.0041667 k( 236) = ( 0.7004300 0.3164516 0.3164516), wk = 0.0041667 k( 237) = ( 0.7104515 0.3322742 0.3322742), wk = 0.0041667 k( 238) = ( 0.7204730 0.3480968 0.3480968), wk = 0.0041667 k( 239) = ( 0.7304945 0.3639194 0.3639194), wk = 0.0041667 k( 240) = ( 0.7405160 0.3797420 0.3797420), wk = 0.0041667 Dense grid: 101139 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 55049 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 298, 82) NL pseudopotentials 0.42 Mb ( 149, 184) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2108) G-vector shells 0.01 Mb ( 1748) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.49 Mb ( 298, 328) Each subspace H/S matrix 1.64 Mb ( 328, 328) Each matrix 0.46 Mb ( 184, 2, 82) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KIO3.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 49.1 secs Computing kpt #: 2 total cpu time spent up to now is 60.5 secs Computing kpt #: 3 total cpu time spent up to now is 69.6 secs Computing kpt #: 4 total cpu time spent up to now is 80.9 secs Computing kpt #: 5 total cpu time spent up to now is 92.2 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.5 secs Computing kpt #: 7 total cpu time spent up to now is 111.6 secs Computing kpt #: 8 total cpu time spent up to now is 119.1 secs Computing kpt #: 9 total cpu time spent up to now is 127.3 secs Computing kpt #: 10 total cpu time spent up to now is 136.2 secs Computing kpt #: 11 total cpu time spent up to now is 143.4 secs Computing kpt #: 12 total cpu time spent up to now is 150.6 secs Computing kpt #: 13 total cpu time spent up to now is 157.6 secs Computing kpt #: 14 total cpu time spent up to now is 164.4 secs Computing kpt #: 15 total cpu time spent up to now is 171.3 secs Computing kpt #: 16 total cpu time spent up to now is 178.2 secs Computing kpt #: 17 total cpu time spent up to now is 185.1 secs Computing kpt #: 18 total cpu time spent up to now is 191.9 secs Computing kpt #: 19 total cpu time spent up to now is 198.7 secs Computing kpt #: 20 total cpu time spent up to now is 205.5 secs Computing kpt #: 21 total cpu time spent up to now is 212.1 secs Computing kpt #: 22 total cpu time spent up to now is 219.0 secs Computing kpt #: 23 total cpu time spent up to now is 226.1 secs Computing kpt #: 24 total cpu time spent up to now is 232.9 secs Computing kpt #: 25 total cpu time spent up to now is 239.8 secs Computing kpt #: 26 total cpu time spent up to now is 246.4 secs Computing kpt #: 27 total cpu time spent up to now is 253.4 secs Computing kpt #: 28 total cpu time spent up to now is 260.3 secs Computing kpt #: 29 total cpu time spent up to now is 267.5 secs Computing kpt #: 30 total cpu time spent up to now is 275.6 secs Computing kpt #: 31 total cpu time spent up to now is 285.5 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.1 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.4 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.6 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.2 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.9 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 354.4 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 366.0 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.5 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 389.1 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.7 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 412.4 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.0 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.1 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.9 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.8 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 473.6 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 485.3 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.9 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 508.6 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 520.2 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 531.9 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 543.7 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.4 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 567.1 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 578.8 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 590.6 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 602.4 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 614.0 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 625.5 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 637.1 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 648.8 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 660.4 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 672.1 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 683.8 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.7 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 707.6 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.5 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 732.8 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 744.4 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 755.9 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 767.4 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 778.9 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 790.7 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 802.2 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 813.8 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 825.3 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 836.8 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 848.4 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 859.8 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 871.0 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 882.2 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 893.4 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 904.6 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 915.8 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 927.0 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 937.9 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 948.8 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 960.1 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 971.3 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 982.6 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 993.9 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1016.6 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1028.8 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1041.3 secs Computing kpt #: 97 total cpu time spent up to now is 1051.3 secs Computing kpt #: 98 total cpu time spent up to now is 1062.2 secs Computing kpt #: 99 total cpu time spent up to now is 1071.6 secs Computing kpt #: 100 total cpu time spent up to now is 1079.7 secs Computing kpt #: 101 total cpu time spent up to now is 1087.9 secs Computing kpt #: 102 total cpu time spent up to now is 1095.4 secs Computing kpt #: 103 total cpu time spent up to now is 1102.8 secs Computing kpt #: 104 total cpu time spent up to now is 1110.1 secs Computing kpt #: 105 total cpu time spent up to now is 1117.6 secs Computing kpt #: 106 total cpu time spent up to now is 1125.3 secs Computing kpt #: 107 total cpu time spent up to now is 1132.7 secs Computing kpt #: 108 total cpu time spent up to now is 1140.2 secs Computing kpt #: 109 total cpu time spent up to now is 1147.7 secs Computing kpt #: 110 total cpu time spent up to now is 1155.2 secs Computing kpt #: 111 total cpu time spent up to now is 1162.7 secs Computing kpt #: 112 total cpu time spent up to now is 1170.2 secs Computing kpt #: 113 total cpu time spent up to now is 1177.9 secs Computing kpt #: 114 total cpu time spent up to now is 1186.0 secs Computing kpt #: 115 total cpu time spent up to now is 1194.2 secs Computing kpt #: 116 total cpu time spent up to now is 1202.5 secs Computing kpt #: 117 total cpu time spent up to now is 1210.8 secs Computing kpt #: 118 total cpu time spent up to now is 1219.1 secs Computing kpt #: 119 total cpu time spent up to now is 1227.4 secs Computing kpt #: 120 total cpu time spent up to now is 1238.8 secs Computing kpt #: 121 total cpu time spent up to now is 1249.8 secs Computing kpt #: 122 total cpu time spent up to now is 1259.1 secs Computing kpt #: 123 total cpu time spent up to now is 1268.4 secs Computing kpt #: 124 total cpu time spent up to now is 1277.5 secs Computing kpt #: 125 total cpu time spent up to now is 1286.5 secs Computing kpt #: 126 total cpu time spent up to now is 1295.0 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1306.5 secs Computing kpt #: 128 total cpu time spent up to now is 1315.9 secs Computing kpt #: 129 total cpu time spent up to now is 1323.5 secs Computing kpt #: 130 total cpu time spent up to now is 1333.3 secs Computing kpt #: 131 total cpu time spent up to now is 1340.8 secs Computing kpt #: 132 total cpu time spent up to now is 1348.1 secs Computing kpt #: 133 total cpu time spent up to now is 1355.6 secs Computing kpt #: 134 total cpu time spent up to now is 1362.6 secs Computing kpt #: 135 total cpu time spent up to now is 1369.8 secs Computing kpt #: 136 total cpu time spent up to now is 1376.9 secs Computing kpt #: 137 total cpu time spent up to now is 1384.1 secs Computing kpt #: 138 total cpu time spent up to now is 1391.0 secs Computing kpt #: 139 total cpu time spent up to now is 1397.9 secs Computing kpt #: 140 total cpu time spent up to now is 1404.9 secs Computing kpt #: 141 total cpu time spent up to now is 1411.4 secs Computing kpt #: 142 total cpu time spent up to now is 1417.9 secs Computing kpt #: 143 total cpu time spent up to now is 1424.4 secs Computing kpt #: 144 total cpu time spent up to now is 1431.0 secs Computing kpt #: 145 total cpu time spent up to now is 1438.0 secs Computing kpt #: 146 total cpu time spent up to now is 1444.9 secs Computing kpt #: 147 total cpu time spent up to now is 1452.0 secs Computing kpt #: 148 total cpu time spent up to now is 1458.9 secs Computing kpt #: 149 total cpu time spent up to now is 1465.8 secs Computing kpt #: 150 total cpu time spent up to now is 1472.7 secs Computing kpt #: 151 total cpu time spent up to now is 1479.7 secs Computing kpt #: 152 total cpu time spent up to now is 1486.9 secs Computing kpt #: 153 total cpu time spent up to now is 1494.4 secs Computing kpt #: 154 total cpu time spent up to now is 1501.8 secs Computing kpt #: 155 total cpu time spent up to now is 1509.9 secs Computing kpt #: 156 total cpu time spent up to now is 1518.9 secs Computing kpt #: 157 total cpu time spent up to now is 1529.0 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1540.6 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1552.6 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1564.4 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1576.2 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1587.8 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1599.8 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1611.7 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1623.6 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1636.5 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1648.4 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1660.4 secs Computing kpt #: 169 total cpu time spent up to now is 1671.7 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1683.7 secs Computing kpt #: 171 total cpu time spent up to now is 1693.4 secs Computing kpt #: 172 total cpu time spent up to now is 1704.8 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1716.5 secs Computing kpt #: 174 total cpu time spent up to now is 1728.3 secs Computing kpt #: 175 total cpu time spent up to now is 1737.9 secs Computing kpt #: 176 total cpu time spent up to now is 1749.6 secs Computing kpt #: 177 total cpu time spent up to now is 1759.0 secs Computing kpt #: 178 total cpu time spent up to now is 1769.0 secs Computing kpt #: 179 total cpu time spent up to now is 1780.0 secs Computing kpt #: 180 total cpu time spent up to now is 1791.3 secs Computing kpt #: 181 total cpu time spent up to now is 1802.5 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1814.7 secs Computing kpt #: 183 total cpu time spent up to now is 1825.8 secs Computing kpt #: 184 total cpu time spent up to now is 1836.7 secs Computing kpt #: 185 total cpu time spent up to now is 1848.2 secs Computing kpt #: 186 total cpu time spent up to now is 1859.7 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1871.4 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1883.0 secs Computing kpt #: 189 total cpu time spent up to now is 1893.0 secs Computing kpt #: 190 total cpu time spent up to now is 1903.6 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1915.4 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1928.0 secs Computing kpt #: 193 total cpu time spent up to now is 1941.1 secs Computing kpt #: 194 total cpu time spent up to now is 1952.7 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1964.4 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1976.2 secs Computing kpt #: 197 total cpu time spent up to now is 1987.2 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1998.9 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2010.9 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2022.7 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2034.1 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2046.0 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2057.7 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2069.2 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2080.7 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2092.3 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2103.8 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2115.1 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2126.6 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2137.8 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2149.1 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2160.3 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2171.5 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2182.8 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2193.6 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2204.7 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2216.4 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2229.1 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2241.8 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2253.4 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2265.2 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2276.7 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2288.4 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2300.1 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2311.7 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2323.4 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2335.2 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2347.1 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2358.8 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2370.6 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2382.3 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2394.2 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2405.9 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2417.6 secs Computing kpt #: 235 total cpu time spent up to now is 2429.3 secs Computing kpt #: 236 total cpu time spent up to now is 2440.6 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2452.3 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2463.8 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2475.5 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2487.3 secs ethr = 1.47E-11, avg # of iterations = 96.1 total cpu time spent up to now is 2487.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6867 PWs) bands (ev): -21.7074 -21.7074 -21.6464 -21.6464 -14.6504 -14.6504 -13.7309 -13.7309 -11.8231 -11.8231 -11.7474 -11.7474 -11.2549 -11.2549 -11.2034 -11.2034 -6.6651 -6.6651 -5.4933 -5.4933 -5.3909 -5.3909 -5.2476 -5.2476 -5.2227 -5.2227 -5.1448 -5.1448 -5.0942 -5.0942 -2.9662 -2.9662 -1.2165 -1.2165 -0.7737 -0.7737 -0.4807 -0.4807 2.0386 2.0386 2.3375 2.3375 2.4029 2.4029 3.0613 3.0613 3.0662 3.0662 4.2899 4.2899 4.3148 4.3148 4.4002 4.4002 4.5883 4.5883 4.6075 4.6075 4.7789 4.7789 5.0490 5.0490 5.0850 5.0850 5.4397 5.4397 6.0537 6.0537 8.4310 8.4310 8.9192 8.9192 10.5653 10.5653 12.2395 12.2395 13.2769 13.2769 13.7501 13.7501 14.0334 14.0334 k = 0.0156-0.0082-0.0059 ( 6869 PWs) bands (ev): -21.7074 -21.7074 -21.6464 -21.6464 -14.6502 -14.6498 -13.7322 -13.7311 -11.8239 -11.8216 -11.7472 -11.7470 -11.2560 -11.2545 -11.2039 -11.2036 -6.6647 -6.6626 -5.4939 -5.4923 -5.3925 -5.3893 -5.2483 -5.2466 -5.2226 -5.2223 -5.1465 -5.1430 -5.0943 -5.0941 -2.9726 -2.9705 -1.2292 -1.1983 -0.7726 -0.7718 -0.4938 -0.4593 2.0059 2.0649 2.3042 2.3544 2.4059 2.4110 3.0614 3.0622 3.0663 3.0671 4.2752 4.2949 4.3091 4.3119 4.4016 4.4142 4.5840 4.5884 4.6055 4.6061 4.7793 4.7842 5.0447 5.0514 5.0841 5.0843 5.4391 5.4395 6.0442 6.0628 8.4138 8.4535 8.9208 8.9230 10.5612 10.5752 12.2380 12.2440 13.2675 13.2815 13.7472 13.7476 14.0193 14.0472 k = 0.0312-0.0163-0.0118 ( 6862 PWs) bands (ev): -21.7073 -21.7073 -21.6464 -21.6464 -14.6492 -14.6484 -13.7349 -13.7327 -11.8241 -11.8195 -11.7465 -11.7460 -11.2578 -11.2549 -11.2050 -11.2044 -6.6614 -6.6573 -5.4941 -5.4909 -5.3940 -5.3876 -5.2485 -5.2452 -5.2220 -5.2215 -5.1482 -5.1413 -5.0943 -5.0938 -2.9895 -2.9853 -1.2362 -1.1754 -0.7684 -0.7669 -0.4984 -0.4301 1.9679 2.0835 2.2650 2.3487 2.4110 2.4354 3.0621 3.0636 3.0676 3.0690 4.2519 4.2846 4.3017 4.3078 4.4173 4.4356 4.5737 4.5830 4.6018 4.6042 4.7852 4.7941 5.0382 5.0521 5.0814 5.0823 5.4377 5.4385 6.0344 6.0711 8.4022 8.4812 8.9278 8.9321 10.5631 10.5908 12.2393 12.2516 13.2536 13.2809 13.7390 13.7398 14.0042 14.0611 k = 0.0469-0.0245-0.0177 ( 6867 PWs) bands (ev): -21.7073 -21.7073 -21.6464 -21.6464 -14.6474 -14.6462 -13.7391 -13.7358 -11.8237 -11.8168 -11.7451 -11.7444 -11.2603 -11.2559 -11.2068 -11.2059 -6.6553 -6.6491 -5.4938 -5.4891 -5.3954 -5.3859 -5.2484 -5.2435 -5.2209 -5.2201 -5.1498 -5.1396 -5.0942 -5.0934 -3.0166 -3.0100 -1.2374 -1.1486 -0.7612 -0.7591 -0.4941 -0.3935 1.9254 2.0926 2.2235 2.3312 2.4165 2.4647 3.0633 3.0651 3.0704 3.0721 4.2236 4.2599 4.2996 4.3036 4.4391 4.4589 4.5571 4.5691 4.6007 4.6038 4.7950 4.8068 5.0289 5.0509 5.0773 5.0798 5.4355 5.4368 6.0243 6.0785 8.3961 8.5142 8.9401 8.9467 10.5707 10.6119 12.2431 12.2622 13.2357 13.2749 13.7253 13.7268 13.9878 14.0753 k = 0.0625-0.0327-0.0235 ( 6874 PWs) bands (ev): -21.7072 -21.7072 -21.6465 -21.6465 -14.6447 -14.6431 -13.7446 -13.7404 -11.8226 -11.8136 -11.7432 -11.7422 -11.2635 -11.2577 -11.2093 -11.2081 -6.6463 -6.6381 -5.4931 -5.4870 -5.3967 -5.3842 -5.2479 -5.2416 -5.2193 -5.2182 -5.1513 -5.1381 -5.0940 -5.0930 -3.0531 -3.0440 -1.2331 -1.1189 -0.7511 -0.7483 -0.4805 -0.3498 1.8791 2.0895 2.1819 2.3069 2.4229 2.4936 3.0649 3.0668 3.0748 3.0765 4.1930 4.2313 4.2967 4.2988 4.4624 4.4820 4.5362 4.5492 4.6019 4.6049 4.8072 4.8210 5.0168 5.0467 5.0730 5.0771 5.4326 5.4342 6.0139 6.0846 8.3958 8.5522 8.9577 8.9667 10.5842 10.6384 12.2489 12.2758 13.2143 13.2633 13.7062 13.7087 13.9695 14.0900 k = 0.0781-0.0409-0.0294 ( 6873 PWs) bands (ev): -21.7071 -21.7071 -21.6465 -21.6465 -14.6413 -14.6393 -13.7516 -13.7464 -11.8209 -11.8097 -11.7406 -11.7394 -11.2673 -11.2601 -11.2125 -11.2110 -6.6345 -6.6243 -5.4919 -5.4845 -5.3979 -5.3826 -5.2469 -5.2395 -5.2172 -5.2158 -5.1527 -5.1366 -5.0938 -5.0925 -3.0981 -3.0863 -1.2236 -1.0872 -0.7383 -0.7348 -0.4575 -0.2997 1.8295 2.0709 2.1436 2.2770 2.4304 2.5207 3.0667 3.0688 3.0805 3.0823 4.1611 4.2011 4.2921 4.2929 4.4850 4.5034 4.5133 4.5262 4.6044 4.6070 4.8204 4.8355 5.0019 5.0387 5.0698 5.0747 5.4289 5.4308 6.0032 6.0891 8.4014 8.5953 8.9804 8.9924 10.6033 10.6700 12.2561 12.2920 13.1901 13.2458 13.6816 13.6859 13.9491 14.0974 k = 0.0938-0.0490-0.0353 ( 6881 PWs) bands (ev): -21.7070 -21.7070 -21.6465 -21.6465 -14.6370 -14.6346 -13.7600 -13.7538 -11.8186 -11.8052 -11.7375 -11.7360 -11.2719 -11.2633 -11.2162 -11.2145 -6.6199 -6.6077 -5.4904 -5.4817 -5.3989 -5.3810 -5.2455 -5.2373 -5.2147 -5.2129 -5.1538 -5.1352 -5.0936 -5.0920 -3.1505 -3.1358 -1.2095 -1.0545 -0.7229 -0.7187 -0.4251 -0.2435 1.7768 2.0360 2.1098 2.2420 2.4392 2.5456 3.0687 3.0711 3.0875 3.0895 4.1287 4.1700 4.2851 4.2857 4.4856 4.4993 4.5091 4.5247 4.6083 4.6099 4.8338 4.8498 4.9846 5.0269 5.0680 5.0726 5.4244 5.4267 5.9921 6.0916 8.4132 8.6433 9.0081 9.0238 10.6279 10.7064 12.2640 12.3106 13.1637 13.2225 13.6517 13.6585 13.9266 14.0822 k = 0.1094-0.0572-0.0412 ( 6877 PWs) bands (ev): -21.7068 -21.7068 -21.6466 -21.6466 -14.6319 -14.6291 -13.7697 -13.7625 -11.8156 -11.8002 -11.7337 -11.7320 -11.2771 -11.2672 -11.2206 -11.2186 -6.6025 -6.5884 -5.4884 -5.4787 -5.3997 -5.3794 -5.2438 -5.2350 -5.2117 -5.2094 -5.1547 -5.1340 -5.0933 -5.0914 -3.2093 -3.1918 -1.1912 -1.0212 -0.7048 -0.7002 -0.3835 -0.1818 1.7215 1.9896 2.0764 2.2022 2.4486 2.5681 3.0710 3.0736 3.0957 3.0978 4.0962 4.1386 4.2754 4.2766 4.4604 4.4734 4.5278 4.5409 4.6136 4.6143 4.8468 4.8635 4.9656 5.0122 5.0674 5.0709 5.4193 5.4218 5.9805 6.0917 8.4314 8.6962 9.0407 9.0611 10.6577 10.7473 12.2714 12.3310 13.1359 13.1934 13.6168 13.6270 13.9020 14.0625 k = 0.1250-0.0654-0.0471 ( 6873 PWs) bands (ev): -21.7067 -21.7067 -21.6466 -21.6466 -14.6260 -14.6228 -13.7806 -13.7726 -11.8119 -11.7946 -11.7294 -11.7275 -11.2829 -11.2717 -11.2256 -11.2234 -6.5825 -6.5665 -5.4860 -5.4755 -5.4004 -5.3780 -5.2417 -5.2326 -5.2083 -5.2054 -5.1554 -5.1329 -5.0931 -5.0908 -3.2736 -3.2531 -1.1692 -0.9875 -0.6843 -0.6793 -0.3333 -0.1153 1.6638 1.9370 2.0393 2.1578 2.4580 2.5880 3.0735 3.0765 3.1050 3.1073 4.0640 4.1072 4.2629 4.2645 4.4349 4.4470 4.5443 4.5529 4.6192 4.6223 4.8589 4.8763 4.9457 4.9954 5.0677 5.0698 5.4135 5.4162 5.9681 6.0893 8.4560 8.7539 9.0781 9.1041 10.6924 10.7925 12.2770 12.3526 13.1077 13.1584 13.5774 13.5917 13.8756 14.0401 k = 0.1406-0.0735-0.0530 ( 6875 PWs) bands (ev): -21.7065 -21.7065 -21.6467 -21.6467 -14.6193 -14.6157 -13.7928 -13.7840 -11.8077 -11.7885 -11.7245 -11.7224 -11.2894 -11.2769 -11.2313 -11.2288 -6.5597 -6.5420 -5.4832 -5.4720 -5.4009 -5.3767 -5.2393 -5.2302 -5.2044 -5.2009 -5.1557 -5.1319 -5.0929 -5.0902 -3.3423 -3.3190 -1.1439 -0.9534 -0.6612 -0.6563 -0.2755 -0.0444 1.6040 1.8807 1.9971 2.1092 2.4666 2.6053 3.0762 3.0797 3.1155 3.1179 4.0323 4.0760 4.2472 4.2488 4.4102 4.4212 4.5567 4.5597 4.6264 4.6330 4.8695 4.8878 4.9261 4.9775 5.0688 5.0694 5.4070 5.4098 5.9549 6.0840 8.4872 8.8161 9.1204 9.1529 10.7317 10.8415 12.2793 12.3746 13.0798 13.1180 13.5340 13.5534 13.8477 14.0155 k = 0.1562-0.0817-0.0589 ( 6863 PWs) bands (ev): -21.7063 -21.7063 -21.6467 -21.6467 -14.6118 -14.6078 -13.8062 -13.7966 -11.8027 -11.7818 -11.7191 -11.7167 -11.2965 -11.2828 -11.2375 -11.2347 -6.5344 -6.5149 -5.4800 -5.4684 -5.4012 -5.3755 -5.2366 -5.2277 -5.2002 -5.1960 -5.1557 -5.1311 -5.0928 -5.0897 -3.4146 -3.3886 -1.1155 -0.9186 -0.6357 -0.6311 -0.2110 0.0304 1.5424 1.8218 1.9499 2.0567 2.4736 2.6197 3.0793 3.0832 3.1271 3.1296 4.0014 4.0453 4.2277 4.2291 4.3872 4.3967 4.5614 4.5644 4.6356 4.6451 4.8770 4.8979 4.9098 4.9594 5.0696 5.0711 5.3999 5.4028 5.9407 6.0758 8.5250 8.8827 9.1674 9.2073 10.7754 10.8941 12.2766 12.3960 13.0527 13.0727 13.4875 13.5126 13.8190 13.9890 k = 0.1719-0.0899-0.0648 ( 6869 PWs) bands (ev): -21.7061 -21.7061 -21.6468 -21.6468 -14.6035 -14.5991 -13.8207 -13.8104 -11.7972 -11.7747 -11.7131 -11.7105 -11.3042 -11.2894 -11.2443 -11.2413 -6.5065 -6.4854 -5.4765 -5.4647 -5.4013 -5.3745 -5.2337 -5.2253 -5.1957 -5.1907 -5.1553 -5.1304 -5.0927 -5.0892 -3.4898 -3.4613 -1.0844 -0.8831 -0.6080 -0.6036 -0.1408 0.1085 1.4790 1.7609 1.8981 2.0006 2.4784 2.6311 3.0827 3.0872 3.1398 3.1423 3.9717 4.0153 4.2043 4.2054 4.3659 4.3738 4.5581 4.5669 4.6462 4.6576 4.8758 4.9019 4.9076 4.9420 5.0709 5.0742 5.3922 5.3951 5.9254 6.0647 8.5694 8.9536 9.2192 9.2669 10.8230 10.9500 12.2671 12.4154 13.0166 13.0329 13.4392 13.4702 13.7900 13.9610 k = 0.1875-0.0981-0.0706 ( 6869 PWs) bands (ev): -21.7059 -21.7059 -21.6469 -21.6469 -14.5944 -14.5896 -13.8363 -13.8254 -11.7910 -11.7670 -11.7065 -11.7038 -11.3125 -11.2966 -11.2516 -11.2484 -6.4761 -6.4536 -5.4728 -5.4609 -5.4011 -5.3737 -5.2306 -5.2228 -5.1909 -5.1851 -5.1543 -5.1298 -5.0927 -5.0888 -3.5673 -3.5365 -1.0508 -0.8464 -0.5780 -0.5739 -0.0659 0.1893 1.4142 1.6982 1.8421 1.9413 2.4805 2.6394 3.0865 3.0916 3.1536 3.1561 3.9434 3.9862 4.1771 4.1779 4.3462 4.3524 4.5499 4.5642 4.6574 4.6693 4.8668 4.9051 4.9144 4.9268 5.0733 5.0787 5.3840 5.3868 5.9090 6.0506 8.6203 9.0286 9.2758 9.3317 10.8742 11.0089 12.2493 12.4313 12.9617 13.0082 13.3909 13.4269 13.7619 13.9319 k = 0.2031-0.1062-0.0765 ( 6873 PWs) bands (ev): -21.7057 -21.7057 -21.6469 -21.6469 -14.5845 -14.5793 -13.8529 -13.8414 -11.7842 -11.7588 -11.6994 -11.6965 -11.3213 -11.3044 -11.2595 -11.2561 -6.4433 -6.4194 -5.4687 -5.4571 -5.4008 -5.3731 -5.2274 -5.2204 -5.1861 -5.1792 -5.1528 -5.1295 -5.0929 -5.0884 -3.6464 -3.6135 -1.0148 -0.8083 -0.5460 -0.5416 0.0129 0.2725 1.3482 1.6341 1.7825 1.8791 2.4794 2.6442 3.0909 3.0966 3.1684 3.1709 3.9167 3.9583 4.1466 4.1474 4.3277 4.3324 4.5362 4.5565 4.6685 4.6797 4.8591 4.9083 4.9151 4.9208 5.0770 5.0844 5.3754 5.3779 5.8914 6.0337 8.6774 9.1073 9.3371 9.4013 10.9287 11.0705 12.2223 12.4419 12.9004 12.9842 13.3453 13.3836 13.7356 13.9024 k = 0.2188-0.1144-0.0824 ( 6873 PWs) bands (ev): -21.7055 -21.7055 -21.6470 -21.6470 -14.5739 -14.5682 -13.8703 -13.8584 -11.7769 -11.7502 -11.6918 -11.6887 -11.3307 -11.3127 -11.2679 -11.2643 -6.4082 -6.3830 -5.4645 -5.4534 -5.4001 -5.3727 -5.2241 -5.2180 -5.1815 -5.1732 -5.1506 -5.1292 -5.0931 -5.0881 -3.7267 -3.6920 -0.9766 -0.7686 -0.5122 -0.5069 0.0948 0.3577 1.2811 1.5688 1.7198 1.8142 2.4746 2.6453 3.0960 3.1024 3.1842 3.1867 3.8919 3.9317 4.1135 4.1143 4.3099 4.3132 4.5171 4.5435 4.6790 4.6887 4.8556 4.9028 4.9162 4.9246 5.0821 5.0915 5.3664 5.3685 5.8727 6.0142 8.7406 9.1898 9.4030 9.4755 10.9861 11.1345 12.1855 12.4453 12.8343 12.9563 13.3055 13.3408 13.7128 13.8733 k = 0.2344-0.1226-0.0883 ( 6871 PWs) bands (ev): -21.7053 -21.7053 -21.6471 -21.6471 -14.5624 -14.5563 -13.8887 -13.8763 -11.7689 -11.7411 -11.6836 -11.6804 -11.3406 -11.3217 -11.2768 -11.2730 -6.3709 -6.3446 -5.4601 -5.4497 -5.3992 -5.3726 -5.2209 -5.2156 -5.1772 -5.1671 -5.1476 -5.1289 -5.0933 -5.0878 -3.8077 -3.7714 -0.9363 -0.7271 -0.4765 -0.4696 0.1791 0.4443 1.2132 1.5023 1.6544 1.7471 2.4658 2.6425 3.1018 3.1090 3.2010 3.2035 3.8692 3.9068 4.0785 4.0793 4.2922 4.2944 4.4928 4.5251 4.6887 4.6966 4.8569 4.8980 4.9191 4.9272 5.0886 5.1000 5.3571 5.3587 5.8528 5.9922 8.8095 9.2756 9.4734 9.5539 11.0462 11.2006 12.1392 12.4395 12.7638 12.9199 13.2747 13.2989 13.6951 13.8459 k = 0.2500-0.1308-0.0942 ( 6869 PWs) bands (ev): -21.7050 -21.7050 -21.6472 -21.6472 -14.5502 -14.5437 -13.9079 -13.8951 -11.7604 -11.7315 -11.6750 -11.6717 -11.3510 -11.3312 -11.2862 -11.2821 -6.3315 -6.3041 -5.4557 -5.4461 -5.3980 -5.3727 -5.2179 -5.2132 -5.1734 -5.1611 -5.1440 -5.1285 -5.0935 -5.0875 -3.8889 -3.8514 -0.8939 -0.6838 -0.4389 -0.4300 0.2652 0.5319 1.1448 1.4350 1.5868 1.6780 2.4527 2.6354 3.1087 3.1166 3.2187 3.2212 3.8487 3.8837 4.0422 4.0431 4.2745 4.2757 4.4638 4.5016 4.6979 4.7038 4.8621 4.8970 4.9210 4.9284 5.0965 5.1096 5.3477 5.3486 5.8318 5.9682 8.8837 9.3645 9.5481 9.6362 11.1086 11.2685 12.0844 12.4231 12.6894 12.8720 13.2511 13.2602 13.6844 13.8218 k = 0.2656-0.1389-0.1001 ( 6874 PWs) bands (ev): -21.7048 -21.7048 -21.6472 -21.6472 -14.5372 -14.5303 -13.9277 -13.9146 -11.7513 -11.7216 -11.6659 -11.6624 -11.3618 -11.3411 -11.2960 -11.2917 -6.2900 -6.2619 -5.4514 -5.4428 -5.3965 -5.3730 -5.2154 -5.2106 -5.1702 -5.1556 -5.1403 -5.1272 -5.0936 -5.0870 -3.9700 -3.9316 -0.8495 -0.6386 -0.3994 -0.3881 0.3528 0.6199 1.0762 1.3668 1.5174 1.6072 2.4350 2.6239 3.1166 3.1254 3.2374 3.2399 3.8306 3.8625 4.0049 4.0061 4.2564 4.2568 4.4311 4.4735 4.7066 4.7108 4.8703 4.8995 4.9218 4.9283 5.1056 5.1201 5.3381 5.3385 5.8097 5.9423 8.9630 9.4564 9.6269 9.7222 11.1730 11.3378 12.0219 12.3950 12.6113 12.8122 13.2134 13.2428 13.6825 13.8032 k = 0.2812-0.1471-0.1060 ( 6871 PWs) bands (ev): -21.7046 -21.7046 -21.6473 -21.6473 -14.5235 -14.5162 -13.9483 -13.9349 -11.7417 -11.7113 -11.6563 -11.6527 -11.3731 -11.3516 -11.3063 -11.3018 -6.2466 -6.2178 -5.4473 -5.4396 -5.3945 -5.3735 -5.2136 -5.2077 -5.1676 -5.1514 -5.1367 -5.1242 -5.0933 -5.0862 -4.0507 -4.0116 -0.8032 -0.5915 -0.3580 -0.3440 0.4412 0.7072 1.0085 1.2981 1.4466 1.5351 2.4126 2.6078 3.1257 3.1354 3.2570 3.2594 3.8149 3.8435 3.9672 3.9689 4.2375 4.2380 4.3956 4.4416 4.7150 4.7177 4.8805 4.9047 4.9216 4.9273 5.1159 5.1312 5.3278 5.3295 5.7867 5.9148 9.0468 9.5510 9.7097 9.8114 11.2390 11.4080 11.9532 12.3550 12.5300 12.7422 13.1704 13.2321 13.6906 13.7925 k = 0.2969-0.1553-0.1119 ( 6871 PWs) bands (ev): -21.7043 -21.7043 -21.6474 -21.6474 -14.5090 -14.5014 -13.9694 -13.9558 -11.7316 -11.7006 -11.6464 -11.6426 -11.3847 -11.3624 -11.3169 -11.3122 -6.2014 -6.1722 -5.4438 -5.4368 -5.3922 -5.3741 -5.2125 -5.2048 -5.1656 -5.1495 -5.1331 -5.1196 -5.0924 -5.0848 -4.1305 -4.0912 -0.7551 -0.5423 -0.3149 -0.2977 0.5302 0.7895 0.9457 1.2288 1.3747 1.4619 2.3854 2.5869 3.1362 3.1467 3.2773 3.2796 3.8015 3.8266 3.9293 3.9318 4.2179 4.2191 4.3581 4.4067 4.7233 4.7249 4.8918 4.9117 4.9210 4.9257 5.1268 5.1424 5.3177 5.3213 5.7629 5.8860 9.1348 9.6481 9.7961 9.9035 11.3063 11.4781 11.8800 12.3037 12.4459 12.6642 13.1247 13.2192 13.7090 13.7922 k = 0.3125-0.1634-0.1177 ( 6867 PWs) bands (ev): -21.7041 -21.7041 -21.6475 -21.6475 -14.4938 -14.4858 -13.9910 -13.9772 -11.7210 -11.6895 -11.6360 -11.6321 -11.3967 -11.3737 -11.3280 -11.3231 -6.1545 -6.1253 -5.4411 -5.4343 -5.3893 -5.3746 -5.2122 -5.2021 -5.1642 -5.1499 -5.1289 -5.1145 -5.0904 -5.0825 -4.2090 -4.1700 -0.7052 -0.4913 -0.2701 -0.2495 0.6194 0.8280 0.9264 1.1592 1.3023 1.3881 2.3533 2.5612 3.1481 3.1594 3.2983 3.3005 3.7905 3.8118 3.8916 3.8951 4.1979 4.1999 4.3193 4.3697 4.7314 4.7325 4.9025 4.9169 4.9215 4.9264 5.1380 5.1532 5.3081 5.3144 5.7383 5.8562 9.2266 9.7474 9.8860 9.9983 11.3744 11.5455 11.8057 12.2422 12.3593 12.5799 13.0761 13.2000 13.7374 13.8037 k = 0.3281-0.1716-0.1236 ( 6864 PWs) bands (ev): -21.7039 -21.7039 -21.6475 -21.6475 -14.4780 -14.4695 -14.0130 -13.9991 -11.7100 -11.6782 -11.6253 -11.6213 -11.4090 -11.3853 -11.3394 -11.3342 -6.1061 -6.0770 -5.4394 -5.4324 -5.3861 -5.3748 -5.2127 -5.2001 -5.1638 -5.1514 -5.1246 -5.1101 -5.0865 -5.0788 -4.2860 -4.2476 -0.6536 -0.4384 -0.2236 -0.1993 0.7081 0.7787 0.9941 1.0893 1.2299 1.3142 2.3165 2.5306 3.1614 3.1733 3.3197 3.3219 3.7815 3.7990 3.8547 3.8593 4.1777 4.1805 4.2800 4.3312 4.7392 4.7406 4.9072 4.9165 4.9262 4.9351 5.1490 5.1626 5.2996 5.3098 5.7131 5.8255 9.3218 9.8488 9.9790 10.0952 11.4422 11.5974 11.7441 12.1719 12.2708 12.4908 13.0243 13.1725 13.7749 13.8273 k = 0.3438-0.1798-0.1295 ( 6864 PWs) bands (ev): -21.7037 -21.7037 -21.6476 -21.6476 -14.4614 -14.4525 -14.0353 -14.0215 -11.6986 -11.6665 -11.6143 -11.6101 -11.4216 -11.3972 -11.3510 -11.3457 -6.0564 -6.0278 -5.4389 -5.4313 -5.3827 -5.3741 -5.2143 -5.1991 -5.1648 -5.1526 -5.1209 -5.1073 -5.0807 -5.0731 -4.3609 -4.3238 -0.6004 -0.3836 -0.1756 -0.1472 0.7125 0.7954 1.0196 1.0760 1.1585 1.2423 2.2750 2.4954 3.1761 3.1886 3.3413 3.3436 3.7740 3.7881 3.8191 3.8249 4.1573 4.1610 4.2408 4.2922 4.7470 4.7490 4.9054 4.9127 4.9380 4.9464 5.1587 5.1694 5.2931 5.3085 5.6874 5.7944 9.4200 9.9519 10.0748 10.1937 11.5052 11.5864 11.7465 12.0946 12.1808 12.3977 12.9693 13.1365 13.8202 13.8619 k = 0.3594-0.1880-0.1354 ( 6862 PWs) bands (ev): -21.7035 -21.7035 -21.6477 -21.6477 -14.4441 -14.4349 -14.0580 -14.0441 -11.6867 -11.6546 -11.6031 -11.5987 -11.4343 -11.4093 -11.3630 -11.3575 -6.0055 -5.9779 -5.4398 -5.4316 -5.3800 -5.3714 -5.2171 -5.2002 -5.1666 -5.1527 -5.1180 -5.1057 -5.0732 -5.0650 -4.4334 -4.3981 -0.5457 -0.3271 -0.1262 -0.0935 0.6439 0.8771 0.9516 1.0903 1.1303 1.2004 2.2291 2.4554 3.1921 3.2050 3.3628 3.3651 3.7664 3.7776 3.7863 3.7939 4.1368 4.1415 4.2024 4.2532 4.7550 4.7574 4.9015 4.9081 4.9519 4.9587 5.1660 5.1728 5.2898 5.3115 5.6614 5.7629 9.5208 10.0566 10.1731 10.2934 11.4955 11.5887 11.8028 12.0134 12.0905 12.3019 12.9114 13.0927 13.8719 13.9057 k = 0.3750-0.1961-0.1413 ( 6867 PWs) bands (ev): -21.7033 -21.7033 -21.6477 -21.6477 -14.4263 -14.4166 -14.0809 -14.0670 -11.6746 -11.6425 -11.5916 -11.5870 -11.4471 -11.4216 -11.3751 -11.3695 -5.9538 -5.9276 -5.4424 -5.4334 -5.3780 -5.3666 -5.2216 -5.2041 -5.1679 -5.1523 -5.1158 -5.1050 -5.0644 -5.0548 -4.5030 -4.4701 -0.4894 -0.2691 -0.0757 -0.0384 0.5751 0.8755 0.9448 1.0447 1.0767 1.2660 2.1790 2.4110 3.2096 3.2227 3.3835 3.3859 3.7475 3.7560 3.7698 3.7759 4.1164 4.1222 4.1655 4.2150 4.7630 4.7659 4.8967 4.9028 4.9664 4.9716 5.1695 5.1722 5.2910 5.3193 5.6351 5.7312 9.6238 10.1626 10.2735 10.3932 11.4132 11.6436 11.8601 11.9395 12.0028 12.2044 12.8509 13.0423 13.9289 13.9568 k = 0.3906-0.2043-0.1472 ( 6872 PWs) bands (ev): -21.7032 -21.7032 -21.6478 -21.6478 -14.4078 -14.3978 -14.1039 -14.0901 -11.6622 -11.6303 -11.5801 -11.5753 -11.4600 -11.4340 -11.3875 -11.3817 -5.9014 -5.8773 -5.4469 -5.4370 -5.3760 -5.3604 -5.2285 -5.2107 -5.1678 -5.1517 -5.1141 -5.1048 -5.0541 -5.0429 -4.5691 -4.5394 -0.4318 -0.2096 -0.0242 0.0178 0.5071 0.8079 0.9169 1.0039 1.0870 1.3503 2.1248 2.3623 3.2283 3.2414 3.4026 3.4050 3.7200 3.7292 3.7648 3.7680 4.0961 4.1030 4.1313 4.1784 4.7711 4.7743 4.8913 4.8971 4.9811 4.9849 5.1677 5.1686 5.2973 5.3316 5.6087 5.6996 9.7287 10.2697 10.3755 10.4918 11.3246 11.6796 11.8307 11.9242 11.9585 12.1098 12.7881 12.9866 13.9899 14.0134 k = 0.4062-0.2125-0.1531 ( 6872 PWs) bands (ev): -21.7030 -21.7030 -21.6478 -21.6478 -14.3887 -14.3783 -14.1269 -14.1133 -11.6495 -11.6179 -11.5687 -11.5636 -11.4726 -11.4464 -11.3999 -11.3941 -5.8489 -5.8273 -5.4540 -5.4425 -5.3733 -5.3531 -5.2385 -5.2189 -5.1666 -5.1512 -5.1128 -5.1048 -5.0422 -5.0294 -4.6312 -4.6055 -0.3728 -0.1490 0.0276 0.0739 0.4410 0.7399 0.8537 0.9297 1.1661 1.4356 2.0669 2.3095 3.2482 3.2611 3.4189 3.4212 3.6955 3.7057 3.7609 3.7619 4.0757 4.0836 4.1017 4.1442 4.7791 4.7826 4.8855 4.8911 4.9959 4.9984 5.1605 5.1635 5.3084 5.3476 5.5823 5.6681 9.8350 10.3774 10.4784 10.5863 11.2378 11.6555 11.7555 11.9041 11.9687 12.0664 12.7234 12.9266 14.0542 14.0742 k = 0.4219-0.2206-0.1590 ( 6867 PWs) bands (ev): -21.7029 -21.7029 -21.6479 -21.6479 -14.3690 -14.3583 -14.1500 -14.1365 -11.6366 -11.6056 -11.5577 -11.5521 -11.4846 -11.4586 -11.4123 -11.4064 -5.7965 -5.7784 -5.4640 -5.4504 -5.3700 -5.3452 -5.2515 -5.2277 -5.1648 -5.1510 -5.1117 -5.1050 -5.0283 -5.0143 -4.6886 -4.6678 -0.3126 -0.0875 0.0790 0.1274 0.3796 0.6735 0.7870 0.8556 1.2494 1.5201 2.0055 2.2528 3.2691 3.2817 3.4306 3.4326 3.6771 3.6878 3.7555 3.7568 4.0548 4.0635 4.0792 4.1135 4.7870 4.7907 4.8796 4.8849 5.0107 5.0121 5.1512 5.1554 5.3233 5.3665 5.5560 5.6370 9.9423 10.4854 10.5809 10.6710 11.1611 11.5785 11.6658 11.8759 11.9492 12.1235 12.6573 12.8631 14.1208 14.1378 k = 0.4375-0.2288-0.1648 ( 6867 PWs) bands (ev): -21.7028 -21.7028 -21.6479 -21.6479 -14.3488 -14.3378 -14.1731 -14.1598 -11.6237 -11.5936 -11.5479 -11.5414 -11.4951 -11.4701 -11.4246 -11.4187 -5.7451 -5.7310 -5.4771 -5.4616 -5.3660 -5.3371 -5.2662 -5.2371 -5.1626 -5.1510 -5.1107 -5.1053 -5.0122 -4.9977 -4.7411 -4.7256 -0.2513 -0.0256 0.1286 0.1680 0.3330 0.6104 0.7211 0.7820 1.3328 1.6034 1.9409 2.1924 3.2910 3.3029 3.4358 3.4370 3.6667 3.6773 3.7486 3.7508 4.0342 4.0447 4.0628 4.0871 4.7946 4.7983 4.8737 4.8787 5.0251 5.0259 5.1406 5.1452 5.3410 5.3877 5.5300 5.6063 10.0502 10.5920 10.6756 10.7369 11.1115 11.4842 11.5680 11.7751 12.0088 12.1951 12.5904 12.7967 14.1889 14.2033 k = 0.4531-0.2370-0.1707 ( 6864 PWs) bands (ev): -21.7027 -21.7027 -21.6479 -21.6479 -14.3281 -14.3167 -14.1960 -14.1829 -11.6107 -11.5823 -11.5414 -11.5324 -11.5018 -11.4802 -11.4365 -11.4308 -5.6952 -5.6859 -5.4937 -5.4771 -5.3610 -5.3298 -5.2804 -5.2473 -5.1604 -5.1514 -5.1098 -5.1057 -4.9934 -4.9792 -4.7880 -4.7784 -0.1890 0.0358 0.1664 0.1739 0.3300 0.5540 0.6574 0.7094 1.4153 1.6849 1.8733 2.1285 3.3135 3.3246 3.4328 3.4341 3.6655 3.6749 3.7401 3.7422 4.0170 4.0284 4.0502 4.0658 4.8017 4.8052 4.8682 4.8726 5.0388 5.0398 5.1294 5.1338 5.3607 5.4104 5.5046 5.5762 10.1581 10.6787 10.7279 10.8103 11.1142 11.3853 11.4670 11.6703 12.0766 12.2669 12.5243 12.7281 14.2581 14.2699 k = 0.4688-0.2452-0.1766 ( 6868 PWs) bands (ev): -21.7027 -21.7027 -21.6479 -21.6479 -14.3070 -14.2953 -14.2187 -14.2059 -11.5980 -11.5731 -11.5403 -11.5274 -11.5016 -11.4869 -11.4474 -11.4421 -5.6484 -5.6436 -5.5141 -5.4980 -5.3550 -5.3265 -5.2892 -5.2581 -5.1583 -5.1522 -5.1090 -5.1062 -4.9716 -4.9590 -4.8291 -4.8252 -0.1260 0.0950 0.1231 0.2059 0.3723 0.5114 0.5975 0.6381 1.4965 1.7632 1.8044 2.0615 3.3363 3.3462 3.4217 3.4248 3.6725 3.6800 3.7296 3.7308 4.0053 4.0149 4.0412 4.0502 4.8080 4.8109 4.8635 4.8670 5.0515 5.0530 5.1182 5.1221 5.3819 5.4338 5.4804 5.5467 10.2654 10.6485 10.8168 10.9054 11.1674 11.2893 11.3654 11.5648 12.1469 12.3299 12.4663 12.6580 14.3275 14.3368 k = 0.4844-0.2533-0.1825 ( 6865 PWs) bands (ev): -21.7026 -21.7026 -21.6480 -21.6480 -14.2855 -14.2734 -14.2413 -14.2287 -11.5860 -11.5700 -11.5400 -11.5289 -11.4962 -11.4889 -11.4555 -11.4518 -5.6082 -5.6037 -5.5377 -5.5246 -5.3478 -5.3308 -5.2880 -5.2692 -5.1564 -5.1533 -5.1082 -5.1068 -4.9474 -4.9381 -4.8642 -4.8631 -0.0624 0.0638 0.1502 0.2150 0.4308 0.4945 0.5437 0.5694 1.5760 1.7286 1.8437 1.9914 3.3586 3.3667 3.4059 3.4105 3.6849 3.6901 3.7168 3.7176 3.9996 4.0051 4.0362 4.0402 4.8128 4.8145 4.8605 4.8625 5.0624 5.0639 5.1088 5.1115 5.4041 5.4461 5.4690 5.5182 10.3710 10.5685 10.9170 10.9902 11.1887 11.2583 11.2752 11.4603 12.2172 12.3399 12.4602 12.5871 14.3964 14.4030 k = 0.5000-0.2615-0.1884 ( 6874 PWs) bands (ev): -21.7026 -21.7026 -21.6480 -21.6480 -14.2635 -14.2635 -14.2512 -14.2512 -11.5756 -11.5756 -11.5349 -11.5349 -11.4907 -11.4907 -11.4574 -11.4574 -5.5811 -5.5811 -5.5509 -5.5509 -5.3394 -5.3394 -5.2798 -5.2798 -5.1547 -5.1547 -5.1074 -5.1074 -4.9284 -4.9284 -4.8827 -4.8827 0.0012 0.0012 0.1937 0.1937 0.4918 0.4918 0.5137 0.5137 1.6535 1.6535 1.9187 1.9187 3.3762 3.3762 3.3966 3.3966 3.6982 3.6982 3.7061 3.7061 3.9997 3.9997 4.0356 4.0356 4.8152 4.8152 4.8601 4.8601 5.0680 5.0680 5.1055 5.1055 5.4269 5.4269 5.4909 5.4909 10.4732 10.4732 10.9984 10.9984 11.1852 11.1852 11.3589 11.3589 12.2851 12.2851 12.5177 12.5177 14.4544 14.4545 k = 0.5000-0.2615-0.1884 ( 6874 PWs) bands (ev): -21.7026 -21.7026 -21.6480 -21.6480 -14.2635 -14.2635 -14.2512 -14.2512 -11.5756 -11.5756 -11.5349 -11.5349 -11.4907 -11.4907 -11.4574 -11.4574 -5.5811 -5.5811 -5.5509 -5.5509 -5.3394 -5.3394 -5.2798 -5.2798 -5.1547 -5.1547 -5.1074 -5.1074 -4.9284 -4.9284 -4.8827 -4.8827 0.0012 0.0012 0.1937 0.1937 0.4918 0.4918 0.5137 0.5137 1.6535 1.6535 1.9187 1.9187 3.3762 3.3762 3.3966 3.3966 3.6982 3.6982 3.7061 3.7061 3.9997 3.9997 4.0356 4.0356 4.8152 4.8152 4.8601 4.8601 5.0680 5.0680 5.1055 5.1055 5.4269 5.4269 5.4909 5.4909 10.4732 10.4732 10.9984 10.9984 11.1852 11.1852 11.3589 11.3589 12.2851 12.2851 12.5177 12.5177 14.4545 14.4546 k = 0.5000-0.2507-0.2034 ( 6864 PWs) bands (ev): -21.7026 -21.7026 -21.6480 -21.6480 -14.2635 -14.2635 -14.2511 -14.2511 -11.5798 -11.5738 -11.5411 -11.5319 -11.4949 -11.4834 -11.4605 -11.4527 -5.5842 -5.5772 -5.5541 -5.5468 -5.3437 -5.3359 -5.2828 -5.2756 -5.1570 -5.1522 -5.1102 -5.1046 -4.9309 -4.9252 -4.8855 -4.8792 -0.0070 -0.0039 0.1878 0.1942 0.4626 0.4820 0.5283 0.5447 1.6557 1.6571 1.9207 1.9220 3.3739 3.3748 3.3942 3.3950 3.6999 3.7006 3.7078 3.7086 4.0000 4.0010 4.0359 4.0369 4.8136 4.8142 4.8585 4.8591 5.0677 5.0683 5.1051 5.1056 5.4267 5.4276 5.4909 5.4916 10.4662 10.4709 10.9895 11.0018 11.1690 11.1831 11.3645 11.3778 12.2819 12.2922 12.5152 12.5254 14.4549 14.4566 k = 0.5000-0.2398-0.2185 ( 6852 PWs) bands (ev): -21.7026 -21.7026 -21.6480 -21.6480 -14.2633 -14.2633 -14.2510 -14.2510 -11.5858 -11.5747 -11.5485 -11.5341 -11.4939 -11.4748 -11.4615 -11.4469 -5.5867 -5.5729 -5.5561 -5.5418 -5.3486 -5.3337 -5.2842 -5.2705 -5.1593 -5.1498 -5.1127 -5.1016 -4.9327 -4.9212 -4.8876 -4.8751 -0.0272 -0.0215 0.1752 0.1871 0.4395 0.4602 0.5621 0.5773 1.6639 1.6666 1.9280 1.9305 3.3682 3.3698 3.3880 3.3897 3.7055 3.7069 3.7134 3.7148 4.0017 4.0038 4.0377 4.0396 4.8094 4.8106 4.8543 4.8554 5.0672 5.0683 5.1043 5.1053 5.4272 5.4288 5.4914 5.4928 10.4507 10.4595 10.9737 10.9962 11.1470 11.1694 11.3904 11.4109 12.2828 12.3029 12.5181 12.5381 14.4580 14.4614 k = 0.5000-0.2290-0.2336 ( 6846 PWs) bands (ev): -21.7026 -21.7026 -21.6479 -21.6479 -14.2630 -14.2630 -14.2507 -14.2507 -11.5930 -11.5786 -11.5563 -11.5408 -11.4887 -11.4660 -11.4603 -11.4402 -5.5884 -5.5688 -5.5564 -5.5361 -5.3537 -5.3333 -5.2836 -5.2649 -5.1613 -5.1474 -5.1149 -5.0986 -4.9335 -4.9166 -4.8889 -4.8703 -0.0566 -0.0488 0.1528 0.1686 0.4269 0.4477 0.5945 0.6086 1.6777 1.6816 1.9402 1.9439 3.3596 3.3618 3.3788 3.3810 3.7146 3.7163 3.7226 3.7244 4.0050 4.0081 4.0409 4.0438 4.8028 4.8045 4.8477 4.8492 5.0666 5.0681 5.1032 5.1046 5.4282 5.4306 5.4925 5.4945 10.4276 10.4397 10.9470 10.9748 11.1335 11.1596 11.4251 11.4489 12.2881 12.3170 12.5264 12.5553 14.4637 14.4686 k = 0.5000-0.2181-0.2486 ( 6862 PWs) bands (ev): -21.7026 -21.7026 -21.6479 -21.6479 -14.2627 -14.2626 -14.2504 -14.2504 -11.6013 -11.5850 -11.5642 -11.5496 -11.4815 -11.4590 -11.4555 -11.4331 -5.5894 -5.5663 -5.5537 -5.5296 -5.3589 -5.3345 -5.2811 -5.2591 -5.1632 -5.1452 -5.1168 -5.0955 -4.9336 -4.9113 -4.8894 -4.8650 -0.0929 -0.0835 0.1196 0.1376 0.4253 0.4448 0.6243 0.6372 1.6969 1.7020 1.9570 1.9618 3.3487 3.3512 3.3672 3.3698 3.7265 3.7283 3.7345 3.7365 4.0097 4.0139 4.0456 4.0495 4.7939 4.7961 4.8387 4.8406 5.0656 5.0676 5.1016 5.1033 5.4297 5.4329 5.4940 5.4967 10.3982 10.4127 10.9083 10.9362 11.1334 11.1608 11.4619 11.4868 12.2982 12.3347 12.5399 12.5767 14.4717 14.4781 k = 0.5000-0.2073-0.2637 ( 6852 PWs) bands (ev): -21.7026 -21.7026 -21.6479 -21.6479 -14.2622 -14.2621 -14.2500 -14.2500 -11.6101 -11.5930 -11.5726 -11.5594 -11.4736 -11.4541 -11.4470 -11.4257 -5.5897 -5.5653 -5.5481 -5.5225 -5.3641 -5.3369 -5.2771 -5.2531 -5.1648 -5.1432 -5.1183 -5.0925 -4.9327 -4.9055 -4.8890 -4.8591 -0.1339 -0.1232 0.0775 0.0965 0.4318 0.4495 0.6507 0.6626 1.7210 1.7272 1.9779 1.9838 3.3363 3.3389 3.3541 3.3568 3.7406 3.7423 3.7486 3.7506 4.0159 4.0212 4.0518 4.0567 4.7828 4.7855 4.8277 4.8300 5.0643 5.0666 5.0995 5.1015 5.4317 5.4355 5.4961 5.4994 10.3638 10.3797 10.8602 10.8861 11.1428 11.1719 11.4976 11.5224 12.3131 12.3560 12.5583 12.6018 14.4822 14.4899 k = 0.5000-0.1964-0.2787 ( 6854 PWs) bands (ev): -21.7026 -21.7026 -21.6479 -21.6479 -14.2616 -14.2616 -14.2495 -14.2495 -11.6194 -11.6020 -11.5815 -11.5696 -11.4654 -11.4487 -11.4384 -11.4183 -5.5894 -5.5647 -5.5409 -5.5148 -5.3692 -5.3401 -5.2720 -5.2470 -5.1661 -5.1416 -5.1192 -5.0896 -4.9310 -4.8993 -4.8876 -4.8526 -0.1782 -0.1665 0.0290 0.0485 0.4431 0.4588 0.6735 0.6844 1.7495 1.7567 2.0022 2.0090 3.3229 3.3256 3.3401 3.3429 3.7560 3.7577 3.7641 3.7660 4.0235 4.0299 4.0594 4.0652 4.7700 4.7730 4.8148 4.8175 5.0624 5.0649 5.0969 5.0991 5.4341 5.4386 5.4986 5.5024 10.3256 10.3421 10.8060 10.8297 11.1579 11.1890 11.5307 11.5547 12.3330 12.3810 12.5812 12.6302 14.4947 14.5037 k = 0.5000-0.1856-0.2938 ( 6852 PWs) bands (ev): -21.7025 -21.7025 -21.6479 -21.6479 -14.2609 -14.2609 -14.2490 -14.2490 -11.6288 -11.6116 -11.5909 -11.5801 -11.4573 -11.4426 -11.4299 -11.4110 -5.5885 -5.5640 -5.5326 -5.5065 -5.3741 -5.3439 -5.2663 -5.2411 -5.1672 -5.1405 -5.1195 -5.0868 -4.9283 -4.8930 -4.8848 -4.8457 -0.2248 -0.2122 -0.0235 -0.0038 0.4566 0.4705 0.6928 0.7028 1.7817 1.7898 2.0293 2.0370 3.3091 3.3119 3.3257 3.3286 3.7722 3.7739 3.7803 3.7823 4.0324 4.0400 4.0683 4.0752 4.7555 4.7589 4.8005 4.8034 5.0599 5.0626 5.0937 5.0960 5.4369 5.4419 5.5014 5.5057 10.2845 10.3011 10.7484 10.7702 11.1762 11.2093 11.5605 11.5830 12.3577 12.4096 12.6079 12.6614 14.5091 14.5191 k = 0.5000-0.1747-0.3088 ( 6858 PWs) bands (ev): -21.7025 -21.7025 -21.6478 -21.6478 -14.2601 -14.2601 -14.2484 -14.2483 -11.6384 -11.6214 -11.6006 -11.5906 -11.4492 -11.4362 -11.4218 -11.4039 -5.5872 -5.5629 -5.5238 -5.4978 -5.3789 -5.3478 -5.2602 -5.2353 -5.1679 -5.1400 -5.1192 -5.0842 -4.9246 -4.8873 -4.8800 -4.8383 -0.2728 -0.2596 -0.0781 -0.0585 0.4708 0.4832 0.7086 0.7180 1.8168 1.8256 2.0583 2.0668 3.2953 3.2984 3.3115 3.3148 3.7887 3.7906 3.7968 3.7989 4.0427 4.0514 4.0785 4.0864 4.7397 4.7434 4.7849 4.7880 5.0568 5.0595 5.0898 5.0922 5.4399 5.4454 5.5044 5.5092 10.2414 10.2576 10.6890 10.7090 11.1962 11.2311 11.5868 11.6072 12.3867 12.4417 12.6378 12.6949 14.5250 14.5358 k = 0.5000-0.1639-0.3239 ( 6862 PWs) bands (ev): -21.7025 -21.7025 -21.6478 -21.6478 -14.2593 -14.2593 -14.2477 -14.2477 -11.6480 -11.6313 -11.6106 -11.6010 -11.4415 -11.4296 -11.4140 -11.3970 -5.5854 -5.5615 -5.5144 -5.4888 -5.3834 -5.3517 -5.2539 -5.2299 -5.1682 -5.1399 -5.1184 -5.0818 -4.9200 -4.8822 -4.8732 -4.8306 -0.3216 -0.3078 -0.1338 -0.1142 0.4849 0.4960 0.7214 0.7301 1.8539 1.8634 2.0886 2.0979 3.2819 3.2858 3.2978 3.3019 3.8052 3.8073 3.8133 3.8156 4.0543 4.0639 4.0900 4.0988 4.7228 4.7267 4.7682 4.7716 5.0530 5.0556 5.0854 5.0877 5.4430 5.4490 5.5077 5.5128 10.1970 10.2126 10.6288 10.6474 11.2170 11.2533 11.6094 11.6276 12.4195 12.4768 12.6704 12.7304 14.5420 14.5539 k = 0.5000-0.1530-0.3389 ( 6872 PWs) bands (ev): -21.7025 -21.7024 -21.6478 -21.6478 -14.2584 -14.2584 -14.2470 -14.2469 -11.6575 -11.6411 -11.6206 -11.6113 -11.4339 -11.4231 -11.4066 -11.3905 -5.5832 -5.5599 -5.5048 -5.4796 -5.3877 -5.3556 -5.2476 -5.2247 -5.1682 -5.1401 -5.1172 -5.0796 -4.9145 -4.8770 -4.8653 -4.8225 -0.3705 -0.3563 -0.1896 -0.1700 0.4984 0.5084 0.7314 0.7397 1.8921 1.9023 2.1194 2.1294 3.2693 3.2743 3.2851 3.2904 3.8213 3.8238 3.8295 3.8320 4.0670 4.0776 4.1026 4.1124 4.7051 4.7092 4.7508 4.7543 5.0486 5.0509 5.0803 5.0825 5.4462 5.4526 5.5109 5.5163 10.1519 10.1667 10.5685 10.5860 11.2379 11.2754 11.6285 11.6443 12.4555 12.5146 12.7052 12.7673 14.5597 14.5721 k = 0.5000-0.1422-0.3540 ( 6884 PWs) bands (ev): -21.7024 -21.7024 -21.6477 -21.6477 -14.2575 -14.2574 -14.2462 -14.2462 -11.6669 -11.6507 -11.6306 -11.6215 -11.4267 -11.4166 -11.3997 -11.3842 -5.5809 -5.5580 -5.4950 -5.4704 -5.3917 -5.3593 -5.2415 -5.2200 -5.1678 -5.1404 -5.1159 -5.0777 -4.9081 -4.8712 -4.8566 -4.8140 -0.4189 -0.4046 -0.2447 -0.2253 0.5110 0.5202 0.7390 0.7470 1.9306 1.9414 2.1499 2.1607 3.2580 3.2644 3.2739 3.2806 3.8369 3.8398 3.8450 3.8478 4.0807 4.0923 4.1163 4.1270 4.6868 4.6911 4.7328 4.7364 5.0434 5.0455 5.0746 5.0766 5.4494 5.4561 5.5142 5.5198 10.1068 10.1208 10.5088 10.5253 11.2586 11.2969 11.6444 11.6578 12.4938 12.5544 12.7414 12.8052 14.5776 14.5908 k = 0.5000-0.1314-0.3690 ( 6886 PWs) bands (ev): -21.7024 -21.7024 -21.6477 -21.6477 -14.2565 -14.2564 -14.2454 -14.2454 -11.6759 -11.6601 -11.6405 -11.6315 -11.4199 -11.4104 -11.3932 -11.3784 -5.5783 -5.5559 -5.4852 -5.4613 -5.3954 -5.3626 -5.2355 -5.2158 -5.1670 -5.1407 -5.1146 -5.0761 -4.9009 -4.8648 -4.8476 -4.8054 -0.4665 -0.4520 -0.2985 -0.2794 0.5227 0.5311 0.7446 0.7524 1.9686 1.9800 2.1796 2.1911 3.2483 3.2562 3.2645 3.2728 3.8517 3.8550 3.8599 3.8630 4.0954 4.1079 4.1309 4.1424 4.6683 4.6726 4.7146 4.7182 5.0376 5.0393 5.0683 5.0701 5.4525 5.4594 5.5172 5.5231 10.0623 10.0753 10.4502 10.4660 11.2787 11.3177 11.6572 11.6686 12.5337 12.5955 12.7785 12.8436 14.5949 14.6082 k = 0.5000-0.1205-0.3841 ( 6888 PWs) bands (ev): -21.7023 -21.7023 -21.6477 -21.6477 -14.2554 -14.2554 -14.2446 -14.2446 -11.6847 -11.6691 -11.6501 -11.6411 -11.4133 -11.4044 -11.3871 -11.3729 -5.5757 -5.5538 -5.4757 -5.4527 -5.3984 -5.3656 -5.2297 -5.2120 -5.1657 -5.1409 -5.1133 -5.0748 -4.8930 -4.8577 -4.8383 -4.7967 -0.5128 -0.4982 -0.3507 -0.3318 0.5334 0.5413 0.7485 0.7562 2.0052 2.0173 2.2076 2.2198 3.2405 3.2500 3.2575 3.2673 3.8657 3.8693 3.8738 3.8772 4.1110 4.1241 4.1463 4.1586 4.6497 4.6541 4.6962 4.6999 5.0312 5.0325 5.0614 5.0632 5.4553 5.4624 5.5200 5.5261 10.0187 10.0309 10.3932 10.4083 11.2979 11.3375 11.6674 11.6771 12.5744 12.6372 12.8161 12.8821 14.6110 14.6251 k = 0.5000-0.1097-0.3992 ( 6890 PWs) bands (ev): -21.7023 -21.7023 -21.6476 -21.6476 -14.2544 -14.2543 -14.2438 -14.2438 -11.6931 -11.6778 -11.6594 -11.6505 -11.4072 -11.3987 -11.3814 -11.3678 -5.5730 -5.5517 -5.4666 -5.4450 -5.4007 -5.3680 -5.2243 -5.2086 -5.1642 -5.1409 -5.1121 -5.0738 -4.8845 -4.8501 -4.8289 -4.7878 -0.5573 -0.5427 -0.4007 -0.3821 0.5432 0.5507 0.7510 0.7586 2.0399 2.0525 2.2334 2.2463 3.2349 3.2457 3.2531 3.2643 3.8786 3.8825 3.8867 3.8904 4.1273 4.1410 4.1625 4.1754 4.6314 4.6358 4.6780 4.6816 5.0241 5.0252 5.0538 5.0558 5.4578 5.4651 5.5224 5.5287 9.9766 9.9881 10.3381 10.3528 11.3162 11.3562 11.6750 11.6838 12.6151 12.6788 12.8534 12.9200 14.6252 14.6401 k = 0.5000-0.0988-0.4142 ( 6888 PWs) bands (ev): -21.7023 -21.7023 -21.6476 -21.6476 -14.2533 -14.2532 -14.2430 -14.2430 -11.7010 -11.6861 -11.6683 -11.6594 -11.4015 -11.3933 -11.3763 -11.3632 -5.5704 -5.5496 -5.4582 -5.4388 -5.4017 -5.3696 -5.2192 -5.2057 -5.1624 -5.1408 -5.1110 -5.0730 -4.8756 -4.8421 -4.8194 -4.7791 -0.5997 -0.5852 -0.4481 -0.4299 0.5522 0.5593 0.7524 0.7600 2.0719 2.0851 2.2566 2.2701 3.2318 3.2437 3.2517 3.2640 3.8904 3.8945 3.8984 3.9023 4.1443 4.1584 4.1792 4.1925 4.6135 4.6178 4.6601 4.6637 5.0164 5.0176 5.0457 5.0481 5.4598 5.4673 5.5242 5.5308 9.9364 9.9473 10.2854 10.2997 11.3334 11.3739 11.6804 11.6889 12.6553 12.7196 12.8901 12.9570 14.6368 14.6507 k = 0.5000-0.0880-0.4293 ( 6886 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2522 -14.2522 -14.2422 -14.2422 -11.7085 -11.6938 -11.6768 -11.6679 -11.3961 -11.3883 -11.3716 -11.3590 -5.5678 -5.5476 -5.4509 -5.4347 -5.4009 -5.3701 -5.2146 -5.2031 -5.1603 -5.1404 -5.1101 -5.0726 -4.8664 -4.8337 -4.8100 -4.7705 -0.6396 -0.6252 -0.4926 -0.4748 0.5603 0.5672 0.7528 0.7606 2.1008 2.1146 2.2765 2.2908 3.2313 3.2440 3.2534 3.2664 3.9009 3.9051 3.9089 3.9129 4.1617 4.1760 4.1964 4.2100 4.5963 4.6005 4.6427 4.6462 5.0081 5.0098 5.0370 5.0401 5.4613 5.4690 5.5255 5.5322 9.8986 9.9091 10.2355 10.2495 11.3495 11.3904 11.6838 11.6927 12.6941 12.7588 12.9255 12.9924 14.6462 14.6605 k = 0.5000-0.0771-0.4443 ( 6884 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2512 -14.2511 -14.2415 -14.2414 -11.7154 -11.7010 -11.6848 -11.6759 -11.3912 -11.3837 -11.3674 -11.3553 -5.5655 -5.5458 -5.4453 -5.4328 -5.3982 -5.3692 -5.2106 -5.2008 -5.1582 -5.1397 -5.1092 -5.0723 -4.8571 -4.8253 -4.8009 -4.7621 -0.6766 -0.6624 -0.5339 -0.5165 0.5677 0.5745 0.7524 0.7604 2.1261 2.1405 2.2931 2.3079 3.2336 3.2467 3.2580 3.2716 3.9099 3.9143 3.9181 3.9221 4.1796 4.1940 4.2139 4.2276 4.5798 4.5840 4.6260 4.6294 4.9993 5.0017 5.0280 5.0317 5.4622 5.4701 5.5259 5.5331 9.8637 9.8739 10.1888 10.2025 11.3644 11.4058 11.6855 11.6952 12.7310 12.7959 12.9590 13.0258 14.6534 14.6681 k = 0.5000-0.0663-0.4594 ( 6886 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2502 -14.2501 -14.2407 -14.2407 -11.7217 -11.7077 -11.6923 -11.6834 -11.3868 -11.3794 -11.3636 -11.3520 -5.5633 -5.5442 -5.4421 -5.4323 -5.3940 -5.3668 -5.2070 -5.1988 -5.1559 -5.1387 -5.1085 -5.0724 -4.8478 -4.8169 -4.7921 -4.7542 -0.7104 -0.6965 -0.5718 -0.5547 0.5745 0.5812 0.7514 0.7596 2.1476 2.1625 2.3059 2.3213 3.2385 3.2521 3.2655 3.2794 3.9174 3.9218 3.9258 3.9298 4.1978 4.2122 4.2316 4.2453 4.5644 4.5685 4.6102 4.6134 4.9902 4.9934 5.0186 5.0230 5.4623 5.4705 5.5256 5.5331 9.8319 9.8420 10.1455 10.1590 11.3781 11.4200 11.6858 11.6967 12.7654 12.8303 12.9903 13.0566 14.6588 14.6740 k = 0.5000-0.0554-0.4744 ( 6884 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2492 -14.2491 -14.2401 -14.2400 -11.7275 -11.7137 -11.6991 -11.6902 -11.3827 -11.3756 -11.3604 -11.3492 -5.5613 -5.5428 -5.4416 -5.4322 -5.3889 -5.3630 -5.2041 -5.1968 -5.1536 -5.1375 -5.1079 -5.0726 -4.8388 -4.8088 -4.7838 -4.7468 -0.7408 -0.7271 -0.6058 -0.5891 0.5808 0.5875 0.7500 0.7584 2.1650 2.1805 2.3150 2.3309 3.2462 3.2600 3.2755 3.2896 3.9231 3.9277 3.9320 3.9361 4.2162 4.2304 4.2495 4.2630 4.5502 4.5541 4.5953 4.5985 4.9809 4.9849 5.0090 5.0141 5.4616 5.4702 5.5243 5.5324 9.8038 9.8140 10.1061 10.1194 11.3906 11.4331 11.6848 11.6970 12.7967 12.8613 13.0186 13.0843 14.6631 14.6787 k = 0.5000-0.0446-0.4895 ( 6892 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2482 -14.2481 -14.2395 -14.2394 -11.7325 -11.7190 -11.7053 -11.6965 -11.3792 -11.3722 -11.3576 -11.3468 -5.5597 -5.5418 -5.4433 -5.4326 -5.3832 -5.3581 -5.2019 -5.1951 -5.1512 -5.1361 -5.1073 -5.0730 -4.8303 -4.8011 -4.7761 -4.7400 -0.7675 -0.7540 -0.6358 -0.6195 0.5865 0.5933 0.7481 0.7569 2.1783 2.1942 2.3204 2.3367 3.2563 3.2702 3.2879 3.3020 3.9270 3.9319 3.9367 3.9410 4.2348 4.2488 4.2674 4.2807 4.5371 4.5409 4.5815 4.5845 4.9715 4.9761 4.9991 5.0049 5.4601 5.4691 5.5221 5.5309 9.7796 9.7900 10.0708 10.0840 11.4019 11.4451 11.6828 11.6963 12.8244 12.8885 13.0436 13.1085 14.6662 14.6821 k = 0.5000-0.0337-0.5045 ( 6892 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2473 -14.2472 -14.2389 -14.2389 -11.7368 -11.7237 -11.7108 -11.7020 -11.3760 -11.3693 -11.3553 -11.3449 -5.5583 -5.5410 -5.4460 -5.4338 -5.3773 -5.3526 -5.2002 -5.1935 -5.1489 -5.1345 -5.1068 -5.0736 -4.8223 -4.7940 -4.7691 -4.7340 -0.7901 -0.7769 -0.6616 -0.6457 0.5919 0.5987 0.7460 0.7551 2.1874 2.2038 2.3220 2.3387 3.2686 3.2825 3.3022 3.3163 3.9291 3.9341 3.9399 3.9444 4.2536 4.2672 4.2853 4.2982 4.5252 4.5288 4.5688 4.5718 4.9619 4.9672 4.9890 4.9954 5.4576 5.4672 5.5190 5.5284 9.7596 9.7704 10.0400 10.0531 11.4120 11.4559 11.6799 11.6947 12.8481 12.9115 13.0647 13.1285 14.6687 14.6849 k = 0.5000-0.0229-0.5196 ( 6894 PWs) bands (ev): -21.7020 -21.7020 -21.6474 -21.6473 -14.2465 -14.2464 -14.2384 -14.2384 -11.7405 -11.7276 -11.7156 -11.7069 -11.3734 -11.3668 -11.3535 -11.3435 -5.5571 -5.5405 -5.4494 -5.4359 -5.3713 -5.3470 -5.1990 -5.1922 -5.1465 -5.1327 -5.1063 -5.0743 -4.8152 -4.7877 -4.7629 -4.7289 -0.8086 -0.7957 -0.6830 -0.6674 0.5968 0.6038 0.7437 0.7531 2.1924 2.2092 2.3202 2.3371 3.2828 3.2966 3.3182 3.3320 3.9294 3.9345 3.9417 3.9463 4.2724 4.2855 4.3032 4.3157 4.5145 4.5180 4.5574 4.5602 4.9522 4.9580 4.9788 4.9857 5.4543 5.4645 5.5148 5.5252 9.7442 9.7556 10.0139 10.0269 11.4209 11.4657 11.6760 11.6922 12.8672 12.9298 13.0815 13.1441 14.6707 14.6873 k = 0.5000-0.0121-0.5347 ( 6888 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2457 -14.2457 -14.2381 -14.2380 -11.7433 -11.7308 -11.7197 -11.7110 -11.3712 -11.3647 -11.3522 -11.3426 -5.5563 -5.5404 -5.4531 -5.4385 -5.3655 -5.3414 -5.1982 -5.1912 -5.1442 -5.1307 -5.1059 -5.0751 -4.8091 -4.7823 -4.7577 -4.7248 -0.8226 -0.8099 -0.6999 -0.6845 0.6015 0.6087 0.7412 0.7510 2.1936 2.2108 2.3150 2.3321 3.2986 3.3120 3.3354 3.3487 3.9281 3.9331 3.9423 3.9468 4.2912 4.3039 4.3210 4.3331 4.5049 4.5083 4.5472 4.5499 4.9424 4.9486 4.9683 4.9756 5.4501 5.4609 5.5098 5.5211 9.7337 9.7456 9.9927 10.0057 11.4286 11.4744 11.6714 11.6888 12.8815 12.9431 13.0936 13.1549 14.6724 14.6895 k = 0.5000-0.0012-0.5497 ( 6892 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2450 -14.2450 -14.2378 -14.2377 -11.7454 -11.7332 -11.7230 -11.7144 -11.3695 -11.3631 -11.3515 -11.3421 -5.5558 -5.5405 -5.4571 -5.4417 -5.3598 -5.3361 -5.1979 -5.1905 -5.1419 -5.1287 -5.1054 -5.0760 -4.8040 -4.7781 -4.7535 -4.7218 -0.8321 -0.8197 -0.7120 -0.6969 0.6059 0.6133 0.7386 0.7489 2.1909 2.2085 2.3066 2.3239 3.3155 3.3284 3.3535 3.3661 3.9254 3.9301 3.9415 3.9459 4.3099 4.3222 4.3388 4.3504 4.4963 4.4997 4.5382 4.5409 4.9325 4.9389 4.9577 4.9652 5.4451 5.4566 5.5040 5.5162 9.7280 9.7407 9.9765 9.9896 11.4353 11.4820 11.6661 11.6846 12.8907 12.9512 13.1005 13.1605 14.6738 14.6916 k = 0.5000 0.0096-0.5648 ( 6890 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2444 -14.2444 -14.2375 -14.2375 -11.7467 -11.7348 -11.7255 -11.7169 -11.3684 -11.3620 -11.3512 -11.3421 -5.5555 -5.5410 -5.4612 -5.4452 -5.3546 -5.3312 -5.1979 -5.1903 -5.1398 -5.1266 -5.1051 -5.0769 -4.8001 -4.7750 -4.7505 -4.7199 -0.8370 -0.8247 -0.7194 -0.7045 0.6101 0.6178 0.7360 0.7466 2.1847 2.2027 2.2952 2.3127 3.3332 3.3455 3.3720 3.3838 3.9214 3.9257 3.9395 3.9436 4.3286 4.3403 4.3566 4.3676 4.4888 4.4921 4.5305 4.5330 4.9223 4.9287 4.9469 4.9543 5.4394 5.4516 5.4975 5.5107 9.7275 9.7410 9.9656 9.9789 11.4409 11.4887 11.6601 11.6797 12.8945 12.9539 13.1022 13.1607 14.6749 14.6937 k = 0.5000 0.0205-0.5798 ( 6884 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2439 -14.2439 -14.2374 -14.2374 -11.7472 -11.7356 -11.7272 -11.7187 -11.3677 -11.3614 -11.3514 -11.3426 -5.5555 -5.5417 -5.4655 -5.4490 -5.3497 -5.3267 -5.1982 -5.1904 -5.1378 -5.1244 -5.1047 -5.0778 -4.7975 -4.7732 -4.7485 -4.7193 -0.8371 -0.8249 -0.7219 -0.7071 0.6141 0.6220 0.7332 0.7444 2.1750 2.1935 2.2809 2.2987 3.3513 3.3628 3.3905 3.4014 3.9163 3.9202 3.9364 3.9401 4.3471 4.3583 4.3742 4.3847 4.4822 4.4853 4.5240 4.5264 4.9119 4.9180 4.9359 4.9429 5.4330 5.4460 5.4905 5.5047 9.7322 9.7465 9.9600 9.9737 11.4455 11.4944 11.6535 11.6741 12.8928 12.9511 13.0984 13.1554 14.6758 14.6959 k = 0.5000 0.0313-0.5949 ( 6894 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2435 -14.2434 -14.2374 -14.2373 -11.7470 -11.7357 -11.7281 -11.7197 -11.3675 -11.3612 -11.3521 -11.3436 -5.5558 -5.5426 -5.4699 -5.4530 -5.3452 -5.3226 -5.1989 -5.1909 -5.1359 -5.1222 -5.1045 -5.0788 -4.7963 -4.7727 -4.7478 -4.7199 -0.8324 -0.8203 -0.7195 -0.7049 0.6179 0.6261 0.7305 0.7421 2.1620 2.1811 2.2640 2.2821 3.3696 3.3802 3.4089 3.4187 3.9102 3.9136 3.9321 3.9355 4.3653 4.3759 4.3917 4.4015 4.4766 4.4795 4.5187 4.5209 4.9012 4.9066 4.9245 4.9309 5.4261 5.4398 5.4831 5.4984 9.7420 9.7573 9.9597 9.9739 11.4491 11.4992 11.6463 11.6678 12.8855 12.9427 13.0890 13.1445 14.6766 14.6982 k = 0.7405 0.1770-0.1587 ( 6894 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2435 -14.2434 -14.2374 -14.2373 -11.7470 -11.7356 -11.7281 -11.7197 -11.3675 -11.3612 -11.3521 -11.3436 -5.5558 -5.5426 -5.4699 -5.4530 -5.3452 -5.3226 -5.1989 -5.1909 -5.1359 -5.1222 -5.1045 -5.0788 -4.7963 -4.7727 -4.7478 -4.7199 -0.8324 -0.8203 -0.7195 -0.7049 0.6179 0.6261 0.7305 0.7421 2.1620 2.1811 2.2640 2.2821 3.3696 3.3802 3.4089 3.4187 3.9102 3.9136 3.9321 3.9355 4.3653 4.3759 4.3917 4.4015 4.4766 4.4794 4.5187 4.5209 4.9012 4.9066 4.9245 4.9309 5.4261 5.4398 5.4831 5.4984 9.7420 9.7573 9.9597 9.9739 11.4491 11.4992 11.6464 11.6678 12.8855 12.9427 13.0890 13.1445 14.6766 14.6982 k = 0.7309 0.1820-0.1436 ( 6896 PWs) bands (ev): -21.7020 -21.7019 -21.6473 -21.6473 -14.2432 -14.2431 -14.2375 -14.2374 -11.7459 -11.7349 -11.7282 -11.7199 -11.3678 -11.3616 -11.3533 -11.3450 -5.5562 -5.5438 -5.4743 -5.4570 -5.3412 -5.3190 -5.1999 -5.1918 -5.1341 -5.1199 -5.1043 -5.0797 -4.7964 -4.7735 -4.7483 -4.7218 -0.8229 -0.8108 -0.7123 -0.6977 0.6216 0.6301 0.7277 0.7398 2.1459 2.1657 2.2444 2.2629 3.3877 3.3973 3.4268 3.4355 3.9034 3.9064 3.9269 3.9299 4.3831 4.3931 4.4088 4.4179 4.4720 4.4745 4.5147 4.5167 4.8899 4.8944 4.9127 4.9182 5.4190 5.4332 5.4757 5.4918 9.7570 9.7734 9.9647 9.9796 11.4518 11.5031 11.6387 11.6609 12.8727 12.9289 13.0740 13.1281 14.6773 14.7008 k = 0.7213 0.1870-0.1285 ( 6888 PWs) bands (ev): -21.7019 -21.7019 -21.6473 -21.6472 -14.2430 -14.2429 -14.2376 -14.2375 -11.7439 -11.7332 -11.7274 -11.7192 -11.3686 -11.3624 -11.3550 -11.3470 -5.5568 -5.5451 -5.4788 -5.4612 -5.3376 -5.3159 -5.2012 -5.1930 -5.1326 -5.1177 -5.1042 -5.0806 -4.7979 -4.7757 -4.7500 -4.7250 -0.8086 -0.7965 -0.7003 -0.6856 0.6252 0.6339 0.7249 0.7374 2.1267 2.1473 2.2223 2.2412 3.4055 3.4140 3.4441 3.4517 3.8960 3.8987 3.9209 3.9235 4.4001 4.4096 4.4250 4.4334 4.4689 4.4710 4.5122 4.5139 4.8781 4.8815 4.9004 4.9048 5.4116 5.4264 5.4685 5.4852 9.7771 9.7946 9.9750 9.9908 11.4537 11.5061 11.6306 11.6535 12.8543 12.9098 13.0535 13.1063 14.6781 14.7035 k = 0.7117 0.1921-0.1135 ( 6888 PWs) bands (ev): -21.7019 -21.7019 -21.6473 -21.6472 -14.2428 -14.2428 -14.2378 -14.2378 -11.7412 -11.7308 -11.7259 -11.7177 -11.3700 -11.3638 -11.3572 -11.3494 -5.5576 -5.5466 -5.4833 -5.4653 -5.3345 -5.3132 -5.2029 -5.1946 -5.1313 -5.1156 -5.1043 -5.0816 -4.8006 -4.7791 -4.7529 -4.7295 -0.7896 -0.7775 -0.6836 -0.6688 0.6285 0.6376 0.7221 0.7351 2.1047 2.1262 2.1977 2.2173 3.4226 3.4303 3.4605 3.4670 3.8880 3.8906 3.9140 3.9163 4.4157 4.4249 4.4392 4.4469 4.4680 4.4701 4.5114 4.5132 4.8655 4.8677 4.8875 4.8906 5.4044 5.4194 5.4616 5.4788 9.8021 9.8208 9.9905 10.0073 11.4547 11.5083 11.6221 11.6455 12.8307 12.8854 13.0276 13.0793 14.6789 14.7065 k = 0.7020 0.1971-0.0984 ( 6876 PWs) bands (ev): -21.7019 -21.7019 -21.6473 -21.6473 -14.2428 -14.2427 -14.2382 -14.2381 -11.7377 -11.7277 -11.7235 -11.7154 -11.3719 -11.3657 -11.3599 -11.3523 -5.5584 -5.5482 -5.4878 -5.4694 -5.3318 -5.3110 -5.2048 -5.1964 -5.1302 -5.1135 -5.1044 -5.0825 -4.8046 -4.7837 -4.7570 -4.7351 -0.7660 -0.7537 -0.6623 -0.6474 0.6318 0.6412 0.7192 0.7327 2.0799 2.1023 2.1708 2.1911 3.4392 3.4459 3.4759 3.4816 3.8796 3.8823 3.9064 3.9086 4.4288 4.4380 4.4492 4.4546 4.4728 4.4745 4.5129 4.5158 4.8522 4.8533 4.8738 4.8758 5.3974 5.4125 5.4554 5.4728 9.8318 9.8517 10.0110 10.0291 11.4551 11.5098 11.6134 11.6370 12.8020 12.8562 12.9968 13.0473 14.6800 14.7098 k = 0.6924 0.2021-0.0833 ( 6878 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2428 -14.2427 -14.2386 -14.2385 -11.7335 -11.7237 -11.7202 -11.7123 -11.3743 -11.3682 -11.3631 -11.3557 -5.5593 -5.5499 -5.4922 -5.4735 -5.3295 -5.3092 -5.2070 -5.1986 -5.1294 -5.1117 -5.1047 -5.0834 -4.8096 -4.7894 -4.7621 -4.7418 -0.7380 -0.7256 -0.6365 -0.6214 0.6348 0.6445 0.7162 0.7302 2.0524 2.0758 2.1416 2.1626 3.4549 3.4609 3.4903 3.4954 3.8708 3.8737 3.8981 3.9003 4.4373 4.4470 4.4540 4.4580 4.4829 4.4854 4.5175 4.5222 4.8380 4.8382 4.8593 4.8603 5.3908 5.4057 5.4498 5.4672 9.8660 9.8873 10.0363 10.0558 11.4547 11.5105 11.6043 11.6280 12.7684 12.8224 12.9612 13.0106 14.6814 14.7134 k = 0.6828 0.2071-0.0682 ( 6882 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2430 -14.2429 -14.2390 -14.2390 -11.7285 -11.7191 -11.7162 -11.7084 -11.3773 -11.3712 -11.3667 -11.3596 -5.5603 -5.5516 -5.4966 -5.4775 -5.3276 -5.3078 -5.2095 -5.2010 -5.1289 -5.1101 -5.1050 -5.0844 -4.8157 -4.7960 -4.7682 -4.7495 -0.7057 -0.6930 -0.6066 -0.5912 0.6376 0.6477 0.7131 0.7275 2.0223 2.0469 2.1102 2.1320 3.4700 3.4754 3.5038 3.5085 3.8619 3.8650 3.8892 3.8916 4.4409 4.4505 4.4561 4.4625 4.4947 4.4995 4.5260 4.5324 4.8224 4.8233 4.8439 4.8445 5.3848 5.3994 5.4451 5.4622 9.9044 9.9272 10.0661 10.0874 11.4538 11.5105 11.5951 11.6187 12.7304 12.7843 12.9212 12.9696 14.6832 14.7173 k = 0.6732 0.2122-0.0532 ( 6896 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2432 -14.2431 -14.2396 -14.2395 -11.7228 -11.7139 -11.7113 -11.7038 -11.3808 -11.3748 -11.3708 -11.3640 -5.5613 -5.5532 -5.5009 -5.4814 -5.3261 -5.3067 -5.2123 -5.2037 -5.1287 -5.1093 -5.1049 -5.0854 -4.8225 -4.8033 -4.7752 -4.7581 -0.6694 -0.6564 -0.5727 -0.5570 0.6401 0.6506 0.7098 0.7247 1.9897 2.0155 2.0766 2.0992 3.4843 3.4894 3.5163 3.5209 3.8527 3.8561 3.8798 3.8823 4.4419 4.4505 4.4579 4.4650 4.5080 4.5143 4.5378 4.5451 4.8065 4.8077 4.8277 4.8287 5.3795 5.3935 5.4414 5.4580 9.9467 9.9711 10.1003 10.1234 11.4523 11.5099 11.5858 11.6090 12.6884 12.7422 12.8772 12.9247 14.6855 14.7217 k = 0.6636 0.2172-0.0381 ( 6900 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2435 -14.2434 -14.2401 -14.2401 -11.7164 -11.7081 -11.7055 -11.6984 -11.3848 -11.3791 -11.3753 -11.3688 -5.5622 -5.5548 -5.5050 -5.4851 -5.3250 -5.3059 -5.2153 -5.2066 -5.1288 -5.1095 -5.1043 -5.0864 -4.8299 -4.8113 -4.7829 -4.7675 -0.6292 -0.6159 -0.5350 -0.5190 0.6423 0.6531 0.7064 0.7217 1.9549 1.9818 2.0409 2.0645 3.4980 3.5029 3.5281 3.5327 3.8435 3.8471 3.8700 3.8727 4.4419 4.4497 4.4579 4.4652 4.5223 4.5294 4.5514 4.5592 4.7906 4.7918 4.8114 4.8126 5.3749 5.3883 5.4385 5.4545 9.9926 10.0187 10.1385 10.1635 11.4503 11.5086 11.5764 11.5989 12.6426 12.6965 12.8296 12.8763 14.6884 14.7286 k = 0.6539 0.2222-0.0230 ( 6912 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2438 -14.2437 -14.2408 -14.2407 -11.7094 -11.7018 -11.6988 -11.6923 -11.3894 -11.3840 -11.3801 -11.3741 -5.5630 -5.5562 -5.5090 -5.4888 -5.3242 -5.3053 -5.2185 -5.2097 -5.1292 -5.1107 -5.1031 -5.0875 -4.8378 -4.8197 -4.7912 -4.7774 -0.5856 -0.5718 -0.4939 -0.4775 0.6440 0.6553 0.7026 0.7183 1.9179 1.9460 2.0033 2.0278 3.5111 3.5160 3.5393 3.5441 3.8341 3.8379 3.8598 3.8627 4.4415 4.4487 4.4563 4.4636 4.5367 4.5444 4.5658 4.5736 4.7748 4.7759 4.7953 4.7965 5.3711 5.3837 5.4365 5.4517 10.0417 10.0696 10.1803 10.2076 11.4479 11.5067 11.5672 11.5886 12.5936 12.6477 12.7790 12.8247 14.6921 14.7395 k = 0.6443 0.2273-0.0080 ( 6918 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2442 -14.2441 -14.2414 -14.2413 -11.7018 -11.6950 -11.6914 -11.6855 -11.3945 -11.3895 -11.3853 -11.3799 -5.5637 -5.5574 -5.5128 -5.4922 -5.3236 -5.3050 -5.2220 -5.2130 -5.1300 -5.1124 -5.1019 -5.0886 -4.8459 -4.8284 -4.8000 -4.7878 -0.5387 -0.5244 -0.4497 -0.4328 0.6452 0.6569 0.6985 0.7146 1.8790 1.9083 1.9639 1.9892 3.5239 3.5288 3.5501 3.5550 3.8248 3.8286 3.8493 3.8524 4.4404 4.4472 4.4534 4.4607 4.5510 4.5592 4.5804 4.5879 4.7591 4.7608 4.7795 4.7811 5.3681 5.3798 5.4354 5.4497 10.0936 10.1236 10.2253 10.2550 11.4451 11.5040 11.5581 11.5781 12.5418 12.5961 12.7256 12.7705 14.6966 14.7480 k = 0.6347 0.2323 0.0071 ( 6916 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2447 -14.2445 -14.2421 -14.2419 -11.6937 -11.6877 -11.6833 -11.6780 -11.4002 -11.3957 -11.3909 -11.3861 -5.5643 -5.5584 -5.5164 -5.4956 -5.3233 -5.3048 -5.2257 -5.2165 -5.1310 -5.1147 -5.1008 -5.0896 -4.8540 -4.8371 -4.8090 -4.7984 -0.4890 -0.4740 -0.4028 -0.3853 0.6458 0.6580 0.6940 0.7104 1.8384 1.8689 1.9230 1.9491 3.5364 3.5413 3.5605 3.5655 3.8154 3.8192 3.8387 3.8419 4.4384 4.4449 4.4494 4.4568 4.5649 4.5735 4.5946 4.6018 4.7439 4.7470 4.7643 4.7669 5.3658 5.3767 5.4350 5.4484 10.1479 10.1803 10.2731 10.3056 11.4420 11.5007 11.5493 11.5674 12.4876 12.5421 12.6702 12.7140 14.7020 14.7438 k = 0.6251 0.2373 0.0222 ( 6912 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2452 -14.2450 -14.2427 -14.2426 -11.6851 -11.6799 -11.6746 -11.6700 -11.4064 -11.4024 -11.3969 -11.3926 -5.5647 -5.5591 -5.5198 -5.4987 -5.3232 -5.3048 -5.2297 -5.2200 -5.1323 -5.1175 -5.0998 -5.0907 -4.8621 -4.8458 -4.8182 -4.8092 -0.4367 -0.4209 -0.3535 -0.3353 0.6455 0.6583 0.6890 0.7056 1.7965 1.8281 1.8806 1.9075 3.5486 3.5536 3.5708 3.5758 3.8061 3.8098 3.8280 3.8312 4.4344 4.4415 4.4444 4.4524 4.5781 4.5873 4.6082 4.6148 4.7298 4.7346 4.7503 4.7543 5.3643 5.3742 5.4353 5.4477 10.2041 10.2392 10.3232 10.3588 11.4386 11.4967 11.5408 11.5566 12.4316 12.4863 12.6130 12.6557 14.7084 14.7495 k = 0.6154 0.2424 0.0372 ( 6918 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2457 -14.2456 -14.2434 -14.2432 -11.6761 -11.6716 -11.6654 -11.6613 -11.4131 -11.4097 -11.4032 -11.3996 -5.5650 -5.5595 -5.5230 -5.5018 -5.3232 -5.3048 -5.2339 -5.2237 -5.1338 -5.1207 -5.0990 -5.0917 -4.8698 -4.8542 -4.8273 -4.8198 -0.3823 -0.3656 -0.3022 -0.2833 0.6442 0.6576 0.6833 0.7001 1.7537 1.7862 1.8372 1.8648 3.5608 3.5658 3.5810 3.5860 3.7968 3.8004 3.8172 3.8205 4.4277 4.4360 4.4391 4.4480 4.5905 4.6003 4.6211 4.6268 4.7174 4.7237 4.7381 4.7435 5.3633 5.3724 5.4362 5.4475 10.2619 10.3000 10.3752 10.4141 11.4349 11.4916 11.5329 11.5459 12.3743 12.4289 12.5548 12.5961 14.7158 14.7570 k = 0.6058 0.2474 0.0523 ( 6926 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2463 -14.2461 -14.2440 -14.2438 -11.6667 -11.6630 -11.6557 -11.6522 -11.4204 -11.4175 -11.4099 -11.4069 -5.5651 -5.5595 -5.5261 -5.5047 -5.3233 -5.3048 -5.2384 -5.2276 -5.1356 -5.1242 -5.0984 -5.0927 -4.8771 -4.8622 -4.8364 -4.8303 -0.3262 -0.3084 -0.2495 -0.2296 0.6416 0.6558 0.6770 0.6939 1.7105 1.7439 1.7931 1.8213 3.5728 3.5777 3.5912 3.5960 3.7878 3.7911 3.8065 3.8098 4.4187 4.4273 4.4343 4.4432 4.6020 4.6124 4.6329 4.6373 4.7073 4.7145 4.7283 4.7348 5.3629 5.3711 5.4375 5.4477 10.3207 10.3623 10.4283 10.4712 11.4310 11.4856 11.5255 11.5355 12.3162 12.3706 12.4960 12.5358 14.7242 14.7623 k = 0.5962 0.2524 0.0674 ( 6930 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2469 -14.2467 -14.2446 -14.2444 -11.6571 -11.6540 -11.6455 -11.6426 -11.4282 -11.4257 -11.4170 -11.4145 -5.5650 -5.5591 -5.5289 -5.5076 -5.3233 -5.3048 -5.2430 -5.2315 -5.1375 -5.1280 -5.0980 -5.0936 -4.8840 -4.8695 -4.8452 -4.8402 -0.2690 -0.2497 -0.1959 -0.1748 0.6376 0.6524 0.6700 0.6867 1.6673 1.7015 1.7488 1.7774 3.5847 3.5895 3.6013 3.6058 3.7790 3.7820 3.7960 3.7992 4.4081 4.4167 4.4286 4.4375 4.6126 4.6236 4.6435 4.6460 4.6998 4.7074 4.7210 4.7282 5.3630 5.3703 5.4391 5.4484 10.3799 10.4257 10.4821 10.5293 11.4267 11.4782 11.5188 11.5255 12.2580 12.3118 12.4373 12.4753 14.7336 14.7684 k = 0.5866 0.2575 0.0825 ( 6926 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2474 -14.2473 -14.2451 -14.2449 -11.6474 -11.6448 -11.6350 -11.6326 -11.4364 -11.4344 -11.4243 -11.4224 -5.5647 -5.5583 -5.5316 -5.5104 -5.3232 -5.3047 -5.2478 -5.2356 -5.1395 -5.1319 -5.0977 -5.0945 -4.8902 -4.8762 -4.8538 -4.8495 -0.2111 -0.1902 -0.1419 -0.1194 0.6318 0.6471 0.6625 0.6786 1.6250 1.6597 1.7047 1.7337 3.5966 3.6011 3.6113 3.6156 3.7705 3.7732 3.7858 3.7888 4.3962 4.4048 4.4220 4.4307 4.6221 4.6336 4.6516 4.6536 4.6952 4.7028 4.7161 4.7237 5.3634 5.3698 5.4409 5.4492 10.4391 10.4895 10.5356 10.5880 11.4220 11.4693 11.5125 11.5164 12.2005 12.2532 12.3794 12.4153 14.7441 14.7767 k = 0.5770 0.2625 0.0975 ( 6936 PWs) bands (ev): -21.7021 -21.7021 -21.6475 -21.6475 -14.2480 -14.2478 -14.2456 -14.2455 -11.6375 -11.6355 -11.6241 -11.6222 -11.4451 -11.4435 -11.4319 -11.4304 -5.5642 -5.5571 -5.5342 -5.5132 -5.3230 -5.3044 -5.2528 -5.2399 -5.1416 -5.1358 -5.0976 -5.0954 -4.8958 -4.8821 -4.8622 -4.8578 -0.1532 -0.1303 -0.0882 -0.0640 0.6241 0.6390 0.6545 0.6692 1.5842 1.6192 1.6615 1.6907 3.6082 3.6125 3.6212 3.6252 3.7624 3.7648 3.7759 3.7787 4.3838 4.3920 4.4143 4.4229 4.6304 4.6422 4.6561 4.6608 4.6931 4.7011 4.7136 4.7210 5.3640 5.3697 5.4429 5.4502 10.4974 10.5534 10.5880 10.6465 11.4168 11.4586 11.5066 11.5087 12.1443 12.1954 12.3232 12.3565 14.7554 14.7848 k = 0.5673 0.2675 0.1126 ( 6932 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2485 -14.2483 -14.2461 -14.2459 -11.6277 -11.6262 -11.6130 -11.6115 -11.4542 -11.4530 -11.4396 -11.4385 -5.5634 -5.5556 -5.5366 -5.5160 -5.3224 -5.3041 -5.2577 -5.2443 -5.1437 -5.1395 -5.0977 -5.0962 -4.9007 -4.8871 -4.8703 -4.8651 -0.0961 -0.0708 -0.0355 -0.0092 0.6142 0.6279 0.6461 0.6587 1.5459 1.5808 1.6199 1.6491 3.6196 3.6236 3.6309 3.6346 3.7546 3.7567 3.7663 3.7690 4.3713 4.3791 4.4061 4.4142 4.6377 4.6489 4.6594 4.6663 4.6933 4.7015 4.7132 4.7198 5.3649 5.3698 5.4450 5.4513 10.5543 10.6165 10.6385 10.7038 11.4109 11.4461 11.5008 11.5028 12.0907 12.1392 12.2695 12.2997 14.7674 14.7943 k = 0.5577 0.2726 0.1277 ( 6932 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2490 -14.2488 -14.2465 -14.2464 -11.6182 -11.6170 -11.6017 -11.6006 -11.4637 -11.4628 -11.4473 -11.4466 -5.5624 -5.5537 -5.5389 -5.5188 -5.3215 -5.3037 -5.2625 -5.2488 -5.1458 -5.1429 -5.0978 -5.0969 -4.9048 -4.8913 -4.8778 -4.8716 -0.0405 -0.0126 0.0153 0.0441 0.6021 0.6139 0.6370 0.6469 1.5109 1.5453 1.5809 1.6096 3.6307 3.6342 3.6403 3.6437 3.7473 3.7490 3.7573 3.7597 4.3593 4.3664 4.3978 4.4052 4.6437 4.6532 4.6633 4.6699 4.6953 4.7026 4.7147 4.7198 5.3659 5.3700 5.4469 5.4524 10.6086 10.6778 10.6860 10.7590 11.4041 11.4319 11.4958 11.4981 12.0405 12.0854 12.2193 12.2461 14.7799 14.8041 k = 0.5481 0.2776 0.1427 ( 6928 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2494 -14.2492 -14.2468 -14.2467 -11.6091 -11.6082 -11.5903 -11.5895 -11.4735 -11.4729 -11.4549 -11.4544 -5.5611 -5.5515 -5.5412 -5.5217 -5.3203 -5.3032 -5.2669 -5.2533 -5.1477 -5.1459 -5.0981 -5.0975 -4.9080 -4.8948 -4.8843 -4.8772 0.0123 0.0428 0.0636 0.0949 0.5878 0.5972 0.6269 0.6341 1.4803 1.5133 1.5454 1.5732 3.6413 3.6443 3.6494 3.6524 3.7405 3.7419 3.7488 3.7509 4.3482 4.3545 4.3898 4.3964 4.6486 4.6556 4.6676 4.6724 4.6981 4.7039 4.7173 4.7207 5.3668 5.3703 5.4488 5.4533 10.6596 10.7269 10.7386 10.8106 11.3962 11.4162 11.4921 11.4942 11.9952 12.0353 12.1739 12.1967 14.7925 14.8144 k = 0.5385 0.2826 0.1578 ( 6934 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2497 -14.2496 -14.2471 -14.2470 -11.6006 -11.6001 -11.5790 -11.5784 -11.4836 -11.4832 -11.4620 -11.4617 -5.5596 -5.5491 -5.5434 -5.5247 -5.3186 -5.3030 -5.2707 -5.2578 -5.1494 -5.1484 -5.0983 -5.0981 -4.9103 -4.8980 -4.8895 -4.8821 0.0611 0.0923 0.1097 0.1417 0.5718 0.5784 0.6161 0.6207 1.4550 1.4853 1.5150 1.5407 3.6512 3.6535 3.6580 3.6605 3.7341 3.7352 3.7410 3.7427 4.3386 4.3438 4.3826 4.3881 4.6523 4.6573 4.6715 4.6742 4.7010 4.7052 4.7202 4.7220 5.3678 5.3705 5.4505 5.4541 10.7058 10.7633 10.7939 10.8568 11.3870 11.3998 11.4897 11.4912 11.9561 11.9901 12.1345 12.1530 14.8048 14.8241 k = 0.5289 0.2877 0.1729 ( 6924 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2500 -14.2499 -14.2474 -14.2473 -11.5932 -11.5929 -11.5678 -11.5674 -11.4937 -11.4935 -11.4684 -11.4682 -5.5580 -5.5467 -5.5453 -5.5278 -5.3165 -5.3032 -5.2734 -5.2622 -5.1508 -5.1504 -5.0986 -5.0985 -4.9117 -4.9013 -4.8929 -4.8862 0.1041 0.1316 0.1543 0.1828 0.5548 0.5586 0.6052 0.6076 1.4357 1.4615 1.4909 1.5130 3.6600 3.6615 3.6660 3.6678 3.7281 3.7289 3.7342 3.7353 4.3308 4.3349 4.3767 4.3810 4.6551 4.6586 4.6746 4.6758 4.7035 4.7064 4.7227 4.7235 5.3687 5.3707 5.4520 5.4547 10.7461 10.7917 10.8440 10.8953 11.3772 11.3837 11.4883 11.4891 11.9247 11.9514 12.1025 12.1164 14.8162 14.8324 k = 0.5192 0.2927 0.1880 ( 6908 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2502 -14.2501 -14.2475 -14.2475 -11.5874 -11.5871 -11.5571 -11.5568 -11.5037 -11.5036 -11.4735 -11.4734 -5.5562 -5.5480 -5.5433 -5.5309 -5.3140 -5.3042 -5.2747 -5.2662 -5.1519 -5.1518 -5.0988 -5.0988 -4.9121 -4.9047 -4.8944 -4.8895 0.1391 0.1592 0.1940 0.2152 0.5387 0.5402 0.5955 0.5963 1.4232 1.4421 1.4748 1.4910 3.6671 3.6677 3.6732 3.6742 3.7228 3.7232 3.7288 3.7294 4.3252 4.3280 4.3725 4.3754 4.6572 4.6595 4.6767 4.6771 4.7055 4.7073 4.7246 4.7249 5.3694 5.3708 5.4532 5.4550 10.7788 10.8106 10.8862 10.9231 11.3676 11.3699 11.4877 11.4880 11.9023 11.9207 12.0791 12.0883 14.8262 14.8381 k = 0.5096 0.2977 0.2030 ( 6896 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2503 -14.2503 -14.2476 -14.2476 -11.5835 -11.5834 -11.5478 -11.5477 -11.5125 -11.5124 -11.4769 -11.4769 -5.5542 -5.5501 -5.5403 -5.5341 -5.3112 -5.3060 -5.2744 -5.2698 -5.1526 -5.1526 -5.0990 -5.0990 -4.9115 -4.9077 -4.8946 -4.8920 0.1639 0.1744 0.2236 0.2350 0.5263 0.5265 0.5884 0.5885 1.4178 1.4278 1.4669 1.4756 3.6718 3.6719 3.6786 3.6790 3.7186 3.7187 3.7253 3.7255 4.3221 4.3235 4.3702 4.3716 4.6586 4.6598 4.6779 4.6779 4.7068 4.7077 4.7258 4.7258 5.3700 5.3707 5.4542 5.4551 10.8027 10.8190 10.9177 10.9372 11.3602 11.3605 11.4875 11.4875 11.8903 11.8996 12.0654 12.0700 14.8340 14.8404 k = 0.5000 0.3028 0.2181 ( 6896 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2503 -14.2503 -14.2476 -14.2476 -11.5821 -11.5821 -11.5434 -11.5434 -11.5167 -11.5167 -11.4781 -11.4781 -5.5522 -5.5522 -5.5372 -5.5372 -5.3085 -5.3085 -5.2726 -5.2726 -5.1528 -5.1528 -5.0990 -5.0990 -4.9100 -4.9100 -4.8938 -4.8938 0.1760 0.1760 0.2383 0.2383 0.5215 0.5215 0.5858 0.5858 1.4195 1.4195 1.4674 1.4674 3.6735 3.6735 3.6808 3.6808 3.7169 3.7169 3.7241 3.7241 4.3215 4.3215 4.3699 4.3699 4.6595 4.6595 4.6783 4.6783 4.7076 4.7076 4.7262 4.7262 5.3705 5.3705 5.4548 5.4548 10.8163 10.8163 10.9354 10.9354 11.3572 11.3572 11.4875 11.4875 11.8893 11.8893 12.0623 12.0623 14.8389 14.8389 k = 0.5000 0.3028 0.2181 ( 6896 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2503 -14.2503 -14.2476 -14.2476 -11.5821 -11.5821 -11.5434 -11.5434 -11.5167 -11.5167 -11.4781 -11.4781 -5.5522 -5.5522 -5.5372 -5.5372 -5.3085 -5.3085 -5.2726 -5.2726 -5.1528 -5.1528 -5.0990 -5.0990 -4.9100 -4.9100 -4.8938 -4.8938 0.1760 0.1760 0.2383 0.2383 0.5215 0.5215 0.5858 0.5858 1.4195 1.4195 1.4674 1.4674 3.6735 3.6735 3.6808 3.6808 3.7169 3.7169 3.7241 3.7241 4.3215 4.3215 4.3699 4.3699 4.6595 4.6595 4.6783 4.6783 4.7076 4.7076 4.7262 4.7262 5.3705 5.3705 5.4548 5.4548 10.8163 10.8163 10.9354 10.9354 11.3572 11.3572 11.4875 11.4875 11.8893 11.8893 12.0623 12.0623 14.8389 14.8389 k = 0.4853 0.2938 0.2117 ( 6890 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2699 -14.2699 -14.2278 -14.2278 -11.5903 -11.5807 -11.5447 -11.5351 -11.5244 -11.5152 -11.4795 -11.4702 -5.5880 -5.5877 -5.5073 -5.5068 -5.3131 -5.3104 -5.2681 -5.2657 -5.1539 -5.1522 -5.0998 -5.0981 -4.9246 -4.9245 -4.8757 -4.8757 0.1102 0.1591 0.2555 0.3054 0.4574 0.5081 0.5995 0.6514 1.3821 1.3824 1.5024 1.5030 3.6434 3.6507 3.6793 3.6863 3.7111 3.7186 3.7474 3.7545 4.3216 4.3216 4.3710 4.3710 4.6582 4.6590 4.6769 4.6777 4.7084 4.7094 4.7270 4.7281 5.3705 5.3710 5.4555 5.4560 10.7191 10.8154 10.9370 11.0303 11.2574 11.3605 11.4842 11.5869 11.8739 11.8766 12.0747 12.0747 14.8134 14.8135 k = 0.4706 0.2849 0.2053 ( 6896 PWs) bands (ev): -21.7023 -21.7023 -21.6475 -21.6475 -14.2905 -14.2905 -14.2065 -14.2065 -11.6010 -11.5873 -11.5379 -11.5346 -11.5240 -11.5212 -11.4733 -11.4596 -5.6342 -5.6341 -5.4772 -5.4766 -5.3200 -5.3165 -5.2547 -5.2517 -5.1553 -5.1520 -5.1004 -5.0971 -4.9424 -4.9423 -4.8471 -4.8471 0.0422 0.0918 0.3249 0.3764 0.3913 0.4428 0.6669 0.7208 1.3265 1.3266 1.5523 1.5530 3.6125 3.6198 3.6501 3.6571 3.7406 3.7481 3.7790 3.7861 4.3219 4.3220 4.3744 4.3744 4.6553 4.6568 4.6739 4.6754 4.7116 4.7133 4.7305 4.7323 5.3712 5.3721 5.4583 5.4592 10.6169 10.7185 11.0329 11.1281 11.1527 11.2611 11.5830 11.6907 11.8386 11.8438 12.1036 12.1041 14.7651 14.7654 k = 0.4559 0.2760 0.1989 ( 6905 PWs) bands (ev): -21.7023 -21.7023 -21.6475 -21.6475 -14.3107 -14.3107 -14.1850 -14.1850 -11.6126 -11.5975 -11.5456 -11.5308 -11.5273 -11.5119 -11.4634 -11.4481 -5.6837 -5.6836 -5.4534 -5.4529 -5.3265 -5.3233 -5.2373 -5.2346 -5.1571 -5.1523 -5.1008 -5.0960 -4.9587 -4.9585 -4.8129 -4.8129 -0.0250 0.0240 0.3259 0.3769 0.3964 0.4483 0.7368 0.7913 1.2677 1.2678 1.6017 1.6025 3.5819 3.5892 3.6194 3.6264 3.7721 3.7796 3.8108 3.8179 4.3226 4.3227 4.3798 4.3799 4.6516 4.6535 4.6700 4.6719 4.7168 4.7190 4.7360 4.7384 5.3723 5.3736 5.4630 5.4644 10.5139 10.6167 11.0473 11.1320 11.1563 11.2243 11.6869 11.7939 11.7946 11.8020 12.1388 12.1402 14.7120 14.7123 k = 0.4412 0.2671 0.1924 ( 6911 PWs) bands (ev): -21.7024 -21.7024 -21.6475 -21.6475 -14.3306 -14.3306 -14.1634 -14.1634 -11.6243 -11.6089 -11.5569 -11.5415 -11.5154 -11.4994 -11.4520 -11.4362 -5.7350 -5.7350 -5.4355 -5.4354 -5.3322 -5.3297 -5.2186 -5.2164 -5.1591 -5.1530 -5.1010 -5.0949 -4.9735 -4.9733 -4.7726 -4.7726 -0.0912 -0.0430 0.2616 0.3118 0.4687 0.5206 0.8077 0.8625 1.2068 1.2072 1.6494 1.6503 3.5517 3.5589 3.5889 3.5958 3.8039 3.8112 3.8426 3.8496 4.3238 4.3239 4.3872 4.3873 4.6474 4.6495 4.6657 4.6678 4.7234 4.7259 4.7430 4.7457 5.3740 5.3756 5.4699 5.4715 10.4109 10.5141 10.9420 11.0508 11.2298 11.3167 11.7450 11.7574 11.7909 11.8980 12.1755 12.1781 14.6578 14.6581 k = 0.4265 0.2582 0.1860 ( 6930 PWs) bands (ev): -21.7025 -21.7025 -21.6475 -21.6475 -14.3502 -14.3502 -14.1418 -14.1418 -11.6361 -11.6205 -11.5681 -11.5527 -11.5029 -11.4867 -11.4402 -11.4240 -5.7874 -5.7873 -5.4232 -5.4225 -5.3369 -5.3355 -5.2007 -5.1989 -5.1614 -5.1542 -5.1011 -5.0939 -4.9874 -4.9871 -4.7262 -4.7262 -0.1562 -0.1088 0.1986 0.2479 0.5413 0.5928 0.8791 0.9342 1.1444 1.1455 1.6951 1.6960 3.5220 3.5291 3.5587 3.5655 3.8355 3.8428 3.8741 3.8810 4.3255 4.3255 4.3963 4.3964 4.6431 4.6452 4.6612 4.6634 4.7311 4.7337 4.7511 4.7540 5.3761 5.3780 5.4788 5.4807 10.3080 10.4112 10.8371 10.9453 11.3245 11.4016 11.6952 11.7156 11.8945 12.0004 12.2117 12.2157 14.6039 14.6042 k = 0.4118 0.2493 0.1796 ( 6930 PWs) bands (ev): -21.7026 -21.7026 -21.6475 -21.6475 -14.3692 -14.3692 -14.1201 -14.1201 -11.6477 -11.6323 -11.5793 -11.5639 -11.4902 -11.4739 -11.4280 -11.4119 -5.8400 -5.8400 -5.4151 -5.4133 -5.3408 -5.3406 -5.1846 -5.1833 -5.1640 -5.1557 -5.1010 -5.0928 -5.0005 -5.0001 -4.6738 -4.6738 -0.2198 -0.1734 0.1370 0.1852 0.6138 0.6644 0.9511 1.0062 1.0811 1.0831 1.7387 1.7398 3.4929 3.4999 3.5291 3.5358 3.8670 3.8741 3.9053 3.9121 4.3277 4.3277 4.4070 4.4070 4.6388 4.6409 4.6567 4.6589 4.7397 4.7423 4.7601 4.7631 5.3787 5.3807 5.4898 5.4920 10.2057 10.3086 10.7328 10.8402 11.4121 11.4683 11.6491 11.6880 11.9973 12.1018 12.2468 12.2523 14.5509 14.5511 k = 0.3971 0.2404 0.1732 ( 6924 PWs) bands (ev): -21.7027 -21.7027 -21.6474 -21.6474 -14.3879 -14.3879 -14.0985 -14.0984 -11.6592 -11.6439 -11.5903 -11.5750 -11.4774 -11.4611 -11.4158 -11.3997 -5.8925 -5.8925 -5.4103 -5.4070 -5.3455 -5.3436 -5.1710 -5.1702 -5.1667 -5.1577 -5.1007 -5.0918 -5.0131 -5.0125 -4.6159 -4.6159 -0.2819 -0.2366 0.0768 0.1240 0.6854 0.7337 1.0177 1.0219 1.0233 1.0783 1.7802 1.7813 3.4644 3.4713 3.5001 3.5067 3.8981 3.9050 3.9360 3.9426 4.3304 4.3304 4.4190 4.4191 4.6346 4.6366 4.6524 4.6545 4.7490 4.7515 4.7699 4.7729 5.3815 5.3837 5.5030 5.5053 10.1041 10.2064 10.6293 10.7357 11.4757 11.4923 11.6238 11.6993 12.0991 12.2018 12.2803 12.2877 14.4995 14.4996 k = 0.3824 0.2315 0.1668 ( 6915 PWs) bands (ev): -21.7029 -21.7029 -21.6474 -21.6474 -14.4060 -14.4060 -14.0769 -14.0769 -11.6704 -11.6554 -11.6010 -11.5860 -11.4645 -11.4485 -11.4036 -11.3876 -5.9443 -5.9443 -5.4081 -5.4031 -5.3496 -5.3459 -5.1695 -5.1600 -5.1599 -5.1597 -5.1004 -5.0909 -5.0253 -5.0244 -4.5533 -4.5532 -0.3426 -0.2984 0.0182 0.0642 0.7532 0.7947 0.9570 0.9678 1.0957 1.1506 1.8196 1.8208 3.4367 3.4434 3.4717 3.4782 3.9286 3.9354 3.9662 3.9725 4.3335 4.3335 4.4323 4.4323 4.6305 4.6324 4.6483 4.6503 4.7590 4.7613 4.7804 4.7833 5.3846 5.3868 5.5182 5.5206 10.0034 10.1048 10.5268 10.6319 11.4696 11.4758 11.6587 11.7533 12.1996 12.3003 12.3123 12.3222 14.4499 14.4499 k = 0.3676 0.2226 0.1604 ( 6915 PWs) bands (ev): -21.7031 -21.7031 -21.6473 -21.6473 -14.4236 -14.4236 -14.0555 -14.0555 -11.6814 -11.6667 -11.6116 -11.5968 -11.4518 -11.4359 -11.3914 -11.3756 -5.9953 -5.9953 -5.4077 -5.4012 -5.3532 -5.3477 -5.1725 -5.1624 -5.1518 -5.1516 -5.1000 -5.0900 -5.0372 -5.0360 -4.4866 -4.4866 -0.4016 -0.3587 -0.0388 0.0060 0.8015 0.8190 0.9146 0.9492 1.1682 1.2227 1.8569 1.8582 3.4097 3.4163 3.4441 3.4504 3.9586 3.9650 3.9956 4.0017 4.3370 4.3371 4.4467 4.4467 4.6267 4.6284 4.6443 4.6462 4.7695 4.7716 4.7915 4.7944 5.3879 5.3901 5.5355 5.5378 9.9038 10.0042 10.4255 10.5292 11.4262 11.4344 11.7317 11.8235 12.2987 12.3432 12.3561 12.3971 14.4025 14.4025 k = 0.3529 0.2137 0.1540 ( 6921 PWs) bands (ev): -21.7033 -21.7033 -21.6473 -21.6473 -14.4407 -14.4407 -14.0343 -14.0343 -11.6921 -11.6777 -11.6218 -11.6074 -11.4391 -11.4235 -11.3793 -11.3638 -6.0451 -6.0450 -5.4089 -5.4009 -5.3562 -5.3492 -5.1755 -5.1652 -5.1462 -5.1455 -5.0995 -5.0893 -5.0487 -5.0472 -4.4166 -4.4166 -0.4590 -0.4174 -0.0941 -0.0506 0.7804 0.7814 0.9396 0.9922 1.2405 1.2945 1.8921 1.8935 3.3835 3.3900 3.4172 3.4234 3.9878 3.9939 4.0242 4.0298 4.3408 4.3409 4.4619 4.4620 4.6232 4.6247 4.6406 4.6424 4.7807 4.7825 4.8033 4.8061 5.3913 5.3935 5.5546 5.5570 9.8056 9.9047 10.3255 10.4276 11.3758 11.3829 11.8109 11.8958 12.3736 12.3903 12.3962 12.4920 14.3575 14.3577 k = 0.3382 0.2048 0.1475 ( 6921 PWs) bands (ev): -21.7035 -21.7035 -21.6473 -21.6473 -14.4572 -14.4572 -14.0134 -14.0134 -11.7025 -11.6884 -11.6317 -11.6177 -11.4266 -11.4113 -11.3674 -11.3521 -6.0935 -6.0934 -5.4111 -5.4020 -5.3587 -5.3505 -5.1786 -5.1681 -5.1428 -5.1414 -5.0991 -5.0886 -5.0600 -5.0579 -4.3439 -4.3439 -0.5147 -0.4744 -0.1476 -0.1055 0.7192 0.7221 1.0027 1.0566 1.3125 1.3659 1.9253 1.9269 3.3582 3.3645 3.3911 3.3971 4.0162 4.0217 4.0517 4.0569 4.3448 4.3449 4.4780 4.4781 4.6199 4.6212 4.6372 4.6388 4.7924 4.7939 4.8156 4.8183 5.3948 5.3969 5.5757 5.5780 9.7089 9.8064 10.2272 10.3274 11.3229 11.3287 11.8880 11.9647 12.4042 12.4257 12.4919 12.5847 14.3153 14.3156 k = 0.3235 0.1959 0.1411 ( 6921 PWs) bands (ev): -21.7037 -21.7037 -21.6472 -21.6472 -14.4731 -14.4731 -13.9928 -13.9928 -11.7125 -11.6988 -11.6414 -11.6277 -11.4143 -11.3993 -11.3556 -11.3407 -6.1404 -6.1403 -5.4141 -5.4044 -5.3608 -5.3518 -5.1818 -5.1712 -5.1414 -5.1392 -5.0986 -5.0881 -5.0708 -5.0681 -4.2691 -4.2690 -0.5686 -0.5297 -0.1993 -0.1586 0.6523 0.6553 1.0723 1.1255 1.3840 1.4367 1.9566 1.9583 3.3337 3.3399 3.3658 3.3717 4.0435 4.0485 4.0782 4.0829 4.3489 4.3491 4.4947 4.4948 4.6170 4.6180 4.6339 4.6354 4.8047 4.8058 4.8286 4.8310 5.3984 5.4004 5.5984 5.6006 9.6140 9.7097 10.1306 10.2288 11.2691 11.2740 11.9601 12.0275 12.4362 12.4635 12.5856 12.6752 14.2759 14.2764 k = 0.3088 0.1870 0.1347 ( 6918 PWs) bands (ev): -21.7039 -21.7039 -21.6472 -21.6472 -14.4884 -14.4884 -13.9726 -13.9726 -11.7222 -11.7090 -11.6507 -11.6374 -11.4023 -11.3876 -11.3441 -11.3295 -6.1856 -6.1856 -5.4177 -5.4076 -5.3626 -5.3531 -5.1849 -5.1743 -5.1418 -5.1388 -5.0982 -5.0877 -5.0810 -5.0775 -4.1926 -4.1926 -0.6206 -0.5833 -0.2490 -0.2098 0.5833 0.5861 1.1431 1.1951 1.4550 1.5068 1.9861 1.9879 3.3101 3.3162 3.3414 3.3472 4.0698 4.0741 4.1035 4.1075 4.3531 4.3533 4.5120 4.5121 4.6143 4.6151 4.6310 4.6323 4.8175 4.8182 4.8421 4.8443 5.4019 5.4039 5.6226 5.6248 9.5210 9.6148 10.0360 10.1319 11.2155 11.2196 12.0251 12.0823 12.4710 12.5048 12.6772 12.7632 14.2396 14.2402 k = 0.2941 0.1781 0.1283 ( 6924 PWs) bands (ev): -21.7041 -21.7041 -21.6471 -21.6471 -14.5031 -14.5031 -13.9528 -13.9528 -11.7315 -11.7187 -11.6596 -11.6468 -11.3904 -11.3762 -11.3328 -11.3187 -6.2291 -6.2291 -5.4217 -5.4116 -5.3643 -5.3546 -5.1881 -5.1776 -5.1440 -5.1401 -5.0978 -5.0903 -5.0874 -5.0860 -4.1150 -4.1149 -0.6708 -0.6350 -0.2969 -0.2592 0.5132 0.5159 1.2137 1.2645 1.5251 1.5759 2.0138 2.0159 3.2875 3.2934 3.3179 3.3235 4.0948 4.0983 4.1275 4.1307 4.3573 4.3574 4.5294 4.5296 4.6121 4.6126 4.6282 4.6294 4.8308 4.8311 4.8561 4.8582 5.4054 5.4073 5.6482 5.6503 9.4302 9.5217 9.9436 10.0370 11.1626 11.1660 12.0815 12.1282 12.5097 12.5504 12.7664 12.8484 14.2065 14.2072 k = 0.2794 0.1692 0.1219 ( 6924 PWs) bands (ev): -21.7043 -21.7043 -21.6471 -21.6471 -14.5172 -14.5172 -13.9335 -13.9335 -11.7404 -11.7281 -11.6681 -11.6559 -11.3789 -11.3651 -11.3218 -11.3081 -6.2708 -6.2708 -5.4261 -5.4160 -5.3658 -5.3562 -5.1912 -5.1808 -5.1479 -5.1431 -5.0986 -5.0975 -5.0935 -5.0872 -4.0365 -4.0364 -0.7191 -0.6849 -0.3427 -0.3066 0.4427 0.4453 1.2835 1.3329 1.5942 1.6438 2.0399 2.0422 3.2658 3.2716 3.2953 3.3008 4.1185 4.1210 4.1501 4.1523 4.3613 4.3615 4.5469 4.5472 4.6103 4.6105 4.6257 4.6268 4.8444 4.8446 4.8705 4.8724 5.4088 5.4106 5.6748 5.6768 9.3418 9.4309 9.8536 9.9444 11.1106 11.1136 12.1283 12.1650 12.5534 12.6001 12.8530 12.9308 14.1765 14.1775 k = 0.2647 0.1603 0.1155 ( 6933 PWs) bands (ev): -21.7046 -21.7046 -21.6470 -21.6470 -14.5306 -14.5306 -13.9148 -13.9148 -11.7489 -11.7372 -11.6763 -11.6646 -11.3677 -11.3544 -11.3111 -11.2979 -6.3106 -6.3106 -5.4307 -5.4209 -5.3674 -5.3579 -5.1942 -5.1841 -5.1534 -5.1479 -5.1055 -5.0999 -5.0972 -5.0872 -3.9576 -3.9575 -0.7655 -0.7329 -0.3864 -0.3519 0.3722 0.3746 1.3522 1.4000 1.6621 1.7103 2.0645 2.0670 3.2451 3.2507 3.2737 3.2790 4.1408 4.1422 4.1713 4.1723 4.3653 4.3655 4.5640 4.5643 4.6093 4.6093 4.6234 4.6244 4.8581 4.8587 4.8853 4.8871 5.4121 5.4138 5.7024 5.7043 9.2560 9.3425 9.7662 9.8541 11.0601 11.0626 12.1653 12.1933 12.6020 12.6533 12.9369 13.0101 14.1497 14.1509 k = 0.2500 0.1514 0.1091 ( 6933 PWs) bands (ev): -21.7048 -21.7048 -21.6470 -21.6470 -14.5434 -14.5434 -13.8967 -13.8967 -11.7570 -11.7458 -11.6841 -11.6729 -11.3569 -11.3441 -11.3008 -11.2881 -6.3484 -6.3484 -5.4354 -5.4261 -5.3690 -5.3598 -5.1972 -5.1873 -5.1600 -5.1543 -5.1112 -5.1054 -5.0969 -5.0872 -3.8786 -3.8785 -0.8098 -0.7789 -0.4280 -0.3952 0.3019 0.3042 1.4193 1.4654 1.7286 1.7754 2.0877 2.0904 3.2253 3.2309 3.2530 3.2582 4.1617 4.1618 4.1907 4.1909 4.3691 4.3693 4.5793 4.5799 4.6100 4.6101 4.6212 4.6223 4.8721 4.8732 4.9004 4.9022 5.4153 5.4168 5.7306 5.7324 9.1731 9.2567 9.6817 9.7665 11.0111 11.0133 12.1934 12.2144 12.6547 12.7088 13.0179 13.0861 14.1262 14.1276 k = 0.2353 0.1425 0.1026 ( 6930 PWs) bands (ev): -21.7051 -21.7051 -21.6469 -21.6469 -14.5554 -14.5554 -13.8792 -13.8792 -11.7647 -11.7540 -11.6915 -11.6808 -11.3465 -11.3343 -11.2908 -11.2787 -6.3842 -6.3842 -5.4403 -5.4314 -5.3707 -5.3619 -5.2001 -5.1906 -5.1675 -5.1618 -5.1158 -5.1100 -5.0967 -5.0873 -3.7999 -3.7998 -0.8522 -0.8230 -0.4675 -0.4364 0.2322 0.2344 1.4846 1.5287 1.7935 1.8386 2.1096 2.1127 3.2066 3.2121 3.2333 3.2383 4.1797 4.1810 4.2074 4.2089 4.3727 4.3730 4.5897 4.5908 4.6156 4.6157 4.6193 4.6204 4.8864 4.8880 4.9158 4.9175 5.4183 5.4197 5.7591 5.7609 9.0934 9.1737 9.6003 9.6818 10.9639 10.9658 12.2138 12.2295 12.7102 12.7652 13.0957 13.1586 14.1057 14.1075 k = 0.2206 0.1336 0.0962 ( 6924 PWs) bands (ev): -21.7053 -21.7053 -21.6469 -21.6469 -14.5668 -14.5668 -13.8625 -13.8625 -11.7719 -11.7618 -11.6984 -11.6883 -11.3365 -11.3248 -11.2813 -11.2697 -6.4179 -6.4179 -5.4452 -5.4368 -5.3725 -5.3641 -5.2028 -5.1937 -5.1755 -5.1699 -5.1197 -5.1141 -5.0966 -5.0875 -3.7218 -3.7217 -0.8925 -0.8650 -0.5047 -0.4754 0.1633 0.1655 1.5477 1.5896 1.8566 1.8997 2.1304 2.1338 3.1890 3.1943 3.2146 3.2195 4.1960 4.1989 4.2223 4.2254 4.3761 4.3764 4.5933 4.5948 4.6175 4.6187 4.6279 4.6280 4.9009 4.9029 4.9312 4.9330 5.4211 5.4224 5.7877 5.7894 9.0170 9.0939 9.5223 9.6002 10.9187 10.9203 12.2283 12.2400 12.7671 12.8213 13.1701 13.2275 14.0882 14.0904 k = 0.2059 0.1247 0.0898 ( 6918 PWs) bands (ev): -21.7055 -21.7055 -21.6468 -21.6468 -14.5775 -14.5775 -13.8466 -13.8466 -11.7787 -11.7692 -11.7050 -11.6954 -11.3269 -11.3159 -11.2722 -11.2612 -6.4496 -6.4496 -5.4502 -5.4423 -5.3743 -5.3664 -5.2055 -5.1968 -5.1836 -5.1783 -5.1231 -5.1178 -5.0964 -5.0878 -3.6447 -3.6447 -0.9307 -0.9051 -0.5396 -0.5121 0.0956 0.0977 1.6082 1.6477 1.9175 1.9587 2.1502 2.1540 3.1724 3.1776 3.1969 3.2016 4.2106 4.2152 4.2355 4.2403 4.3792 4.3796 4.5937 4.5955 4.6159 4.6172 4.6432 4.6434 4.9155 4.9178 4.9467 4.9485 5.4238 5.4250 5.8161 5.8178 8.9441 9.0174 9.4478 9.5220 10.8756 10.8770 12.2380 12.2469 12.8239 12.8762 13.2410 13.2925 14.0737 14.0762 k = 0.1912 0.1158 0.0834 ( 6918 PWs) bands (ev): -21.7057 -21.7057 -21.6468 -21.6468 -14.5875 -14.5875 -13.8315 -13.8315 -11.7851 -11.7762 -11.7110 -11.7021 -11.3179 -11.3075 -11.2635 -11.2533 -6.4792 -6.4791 -5.4551 -5.4478 -5.3761 -5.3688 -5.2080 -5.1998 -5.1917 -5.1866 -5.1261 -5.1212 -5.0963 -5.0881 -3.5690 -3.5690 -0.9669 -0.9430 -0.5723 -0.5466 0.0294 0.0315 1.6659 1.7028 1.9761 2.0151 2.1692 2.1734 3.1568 3.1620 3.1802 3.1848 4.2235 4.2300 4.2471 4.2537 4.3822 4.3826 4.5932 4.5952 4.6144 4.6158 4.6592 4.6593 4.9301 4.9327 4.9621 4.9639 5.4262 5.4273 5.8441 5.8456 8.8752 8.9446 9.3773 9.4475 10.8349 10.8361 12.2443 12.2510 12.8795 12.9290 13.3081 13.3536 14.0618 14.0647 k = 0.1765 0.1069 0.0770 ( 6900 PWs) bands (ev): -21.7060 -21.7060 -21.6467 -21.6467 -14.5967 -14.5967 -13.8173 -13.8173 -11.7909 -11.7827 -11.7167 -11.7084 -11.3093 -11.2996 -11.2554 -11.2458 -6.5066 -6.5066 -5.4599 -5.4532 -5.3780 -5.3712 -5.2103 -5.2026 -5.1995 -5.1948 -5.1289 -5.1243 -5.0962 -5.0885 -3.4952 -3.4952 -1.0009 -0.9789 -0.6026 -0.5787 -0.0349 -0.0328 1.7204 1.7544 2.0321 2.0687 2.1874 2.1921 3.1423 3.1474 3.1645 3.1690 4.2349 4.2433 4.2570 4.2655 4.3849 4.3854 4.5924 4.5947 4.6131 4.6147 4.6749 4.6750 4.9445 4.9473 4.9772 4.9791 5.4284 5.4294 5.8712 5.8727 8.8103 8.8756 9.3108 9.3768 10.7966 10.7976 12.2479 12.2531 12.9332 12.9792 13.3712 13.4105 14.0524 14.0558 k = 0.1618 0.0979 0.0706 ( 6891 PWs) bands (ev): -21.7062 -21.7062 -21.6467 -21.6467 -14.6052 -14.6052 -13.8040 -13.8040 -11.7963 -11.7887 -11.7219 -11.7142 -11.3013 -11.2923 -11.2477 -11.2388 -6.5318 -6.5318 -5.4646 -5.4585 -5.3798 -5.3736 -5.2125 -5.2069 -5.2053 -5.2025 -5.1314 -5.1273 -5.0961 -5.0890 -3.4237 -3.4236 -1.0328 -1.0127 -0.6306 -0.6086 -0.0969 -0.0948 1.7712 1.8022 2.0853 2.1193 2.2050 2.2102 3.1289 3.1339 3.1498 3.1542 4.2449 4.2552 4.2654 4.2759 4.3874 4.3879 4.5915 4.5940 4.6119 4.6136 4.6900 4.6901 4.9585 4.9615 4.9919 4.9939 5.4303 5.4313 5.8974 5.8987 8.7498 8.8107 9.2487 9.3102 10.7609 10.7618 12.2496 12.2536 12.9841 13.0263 13.4301 13.4633 14.0453 14.0492 k = 0.1471 0.0890 0.0641 ( 6882 PWs) bands (ev): -21.7064 -21.7064 -21.6466 -21.6466 -14.6131 -14.6131 -13.7917 -13.7917 -11.8013 -11.7943 -11.7266 -11.7196 -11.2939 -11.2856 -11.2406 -11.2325 -6.5549 -6.5549 -5.4691 -5.4637 -5.3816 -5.3760 -5.2145 -5.2139 -5.2098 -5.2079 -5.1338 -5.1300 -5.0960 -5.0894 -3.3550 -3.3549 -1.0626 -1.0443 -0.6561 -0.6360 -0.1560 -0.1540 1.8180 1.8459 2.1352 2.1666 2.2221 2.2278 3.1166 3.1216 3.1362 3.1405 4.2534 4.2657 4.2724 4.2848 4.3897 4.3902 4.5907 4.5933 4.6109 4.6126 4.7043 4.7044 4.9721 4.9751 5.0060 5.0080 5.4321 5.4329 5.9222 5.9235 8.6939 8.7502 9.1913 9.2481 10.7279 10.7286 12.2499 12.2531 13.0319 13.0699 13.4847 13.5117 14.0402 14.0444 k = 0.1324 0.0801 0.0577 ( 6885 PWs) bands (ev): -21.7065 -21.7065 -21.6466 -21.6466 -14.6201 -14.6201 -13.7804 -13.7804 -11.8057 -11.7994 -11.7308 -11.7245 -11.2870 -11.2796 -11.2341 -11.2267 -6.5758 -6.5758 -5.4734 -5.4686 -5.3834 -5.3783 -5.2203 -5.2166 -5.2163 -5.2103 -5.1360 -5.1325 -5.0960 -5.0899 -3.2897 -3.2896 -1.0901 -1.0738 -0.6792 -0.6610 -0.2119 -0.2100 1.8606 1.8852 2.1818 2.2104 2.2388 2.2449 3.1055 3.1104 3.1236 3.1279 4.2607 4.2750 4.2780 4.2924 4.3917 4.3922 4.5900 4.5926 4.6100 4.6118 4.7177 4.7177 4.9851 4.9880 5.0195 5.0214 5.4336 5.4344 5.9454 5.9467 8.6429 8.6943 9.1387 9.1906 10.6977 10.6983 12.2493 12.2519 13.0760 13.1097 13.5346 13.5557 14.0367 14.0412 k = 0.1176 0.0712 0.0513 ( 6879 PWs) bands (ev): -21.7067 -21.7067 -21.6465 -21.6465 -14.6265 -14.6265 -13.7703 -13.7702 -11.8096 -11.8040 -11.7346 -11.7289 -11.2808 -11.2741 -11.2281 -11.2215 -6.5946 -6.5945 -5.4774 -5.4732 -5.3850 -5.3805 -5.2261 -5.2228 -5.2179 -5.2125 -5.1379 -5.1348 -5.0959 -5.0905 -3.2284 -3.2284 -1.1153 -1.1009 -0.6998 -0.6836 -0.2640 -0.2622 1.8986 1.9199 2.2246 2.2503 2.2550 2.2614 3.0955 3.1004 3.1120 3.1163 4.2668 4.2825 4.2830 4.2988 4.3935 4.3940 4.5894 4.5920 4.6093 4.6110 4.7300 4.7300 4.9972 5.0001 5.0321 5.0339 5.4350 5.4357 5.9669 5.9680 8.5969 8.6432 9.0913 9.1380 10.6704 10.6709 12.2482 12.2502 13.1161 13.1456 13.5797 13.5954 14.0345 14.0392 k = 0.1029 0.0623 0.0449 ( 6879 PWs) bands (ev): -21.7069 -21.7069 -21.6465 -21.6465 -14.6321 -14.6321 -13.7612 -13.7612 -11.8131 -11.8081 -11.7379 -11.7329 -11.2752 -11.2693 -11.2228 -11.2169 -6.6111 -6.6111 -5.4811 -5.4774 -5.3865 -5.3826 -5.2313 -5.2283 -5.2193 -5.2145 -5.1396 -5.1369 -5.0958 -5.0910 -3.1718 -3.1718 -1.1382 -1.1256 -0.7180 -0.7038 -0.3118 -0.3101 1.9320 1.9499 2.2635 2.2707 2.2772 2.2861 3.0867 3.0916 3.1015 3.1058 4.2720 4.2859 4.2900 4.3040 4.3950 4.3955 4.5889 4.5914 4.6087 4.6104 4.7410 4.7411 5.0084 5.0111 5.0436 5.0453 5.4361 5.4367 5.9864 5.9874 8.5561 8.5971 9.0492 9.0906 10.6461 10.6465 12.2467 12.2483 13.1521 13.1773 13.6198 13.6306 14.0333 14.0379 k = 0.0882 0.0534 0.0385 ( 6888 PWs) bands (ev): -21.7070 -21.7070 -21.6465 -21.6465 -14.6369 -14.6369 -13.7532 -13.7532 -11.8160 -11.8118 -11.7407 -11.7365 -11.2703 -11.2651 -11.2181 -11.2130 -6.6254 -6.6254 -5.4844 -5.4812 -5.3878 -5.3845 -5.2358 -5.2332 -5.2205 -5.2164 -5.1412 -5.1388 -5.0957 -5.0915 -3.1206 -3.1206 -1.1585 -1.1478 -0.7336 -0.7214 -0.3546 -0.3530 1.9605 1.9753 2.2855 2.2919 2.2981 2.3176 3.0791 3.0841 3.0922 3.0965 4.2762 4.2884 4.2960 4.3081 4.3964 4.3968 4.5885 4.5908 4.6082 4.6098 4.7508 4.7508 5.0185 5.0209 5.0540 5.0555 5.4371 5.4376 6.0037 6.0046 8.5208 8.5563 9.0127 9.0485 10.6248 10.6252 12.2451 12.2463 13.1837 13.2048 13.6547 13.6615 14.0328 14.0370 k = 0.0735 0.0445 0.0321 ( 6906 PWs) bands (ev): -21.7071 -21.7071 -21.6465 -21.6465 -14.6411 -14.6411 -13.7465 -13.7465 -11.8185 -11.8149 -11.7431 -11.7395 -11.2660 -11.2617 -11.2140 -11.2097 -6.6375 -6.6375 -5.4872 -5.4846 -5.3890 -5.3862 -5.2396 -5.2374 -5.2215 -5.2180 -5.1424 -5.1405 -5.0955 -5.0921 -3.0755 -3.0755 -1.1762 -1.1673 -0.7467 -0.7365 -0.3920 -0.3906 1.9843 1.9961 2.2993 2.3053 2.3281 2.3444 3.0728 3.0777 3.0839 3.0883 4.2798 4.2900 4.3010 4.3112 4.3975 4.3979 4.5882 4.5902 4.6078 4.6092 4.7593 4.7593 5.0273 5.0294 5.0630 5.0644 5.4379 5.4383 6.0186 6.0193 8.4911 8.5210 8.9819 9.0121 10.6067 10.6070 12.2435 12.2445 13.2108 13.2280 13.6841 13.6880 14.0327 14.0362 k = 0.0588 0.0356 0.0257 ( 6894 PWs) bands (ev): -21.7072 -21.7072 -21.6464 -21.6464 -14.6444 -14.6444 -13.7409 -13.7409 -11.8204 -11.8175 -11.7449 -11.7421 -11.2624 -11.2589 -11.2105 -11.2071 -6.6475 -6.6475 -5.4895 -5.4875 -5.3899 -5.3876 -5.2426 -5.2409 -5.2222 -5.2194 -5.1434 -5.1418 -5.0953 -5.0925 -3.0373 -3.0373 -1.1909 -1.1839 -0.7572 -0.7491 -0.4234 -0.4222 2.0035 2.0126 2.3116 2.3168 2.3534 2.3665 3.0678 3.0727 3.0768 3.0813 4.2827 4.2910 4.3052 4.3135 4.3984 4.3988 4.5880 4.5897 4.6076 4.6087 4.7663 4.7663 5.0348 5.0365 5.0707 5.0718 5.4385 5.4389 6.0310 6.0316 8.4671 8.4912 8.9570 8.9814 10.5919 10.5921 12.2421 12.2428 13.2333 13.2468 13.7079 13.7102 14.0327 14.0355 k = 0.0441 0.0267 0.0192 ( 6882 PWs) bands (ev): -21.7073 -21.7073 -21.6464 -21.6464 -14.6471 -14.6471 -13.7365 -13.7365 -11.8218 -11.8197 -11.7463 -11.7441 -11.2594 -11.2569 -11.2077 -11.2052 -6.6552 -6.6552 -5.4913 -5.4898 -5.3905 -5.3889 -5.2450 -5.2436 -5.2227 -5.2206 -5.1442 -5.1430 -5.0951 -5.0930 -3.0067 -3.0067 -1.2025 -1.1973 -0.7652 -0.7591 -0.4482 -0.4473 2.0183 2.0249 2.3219 2.3262 2.3737 2.3835 3.0641 3.0691 3.0710 3.0756 4.2851 4.2914 4.3086 4.3149 4.3991 4.3994 4.5879 4.5893 4.6074 4.6083 4.7718 4.7718 5.0407 5.0421 5.0767 5.0776 5.4390 5.4393 6.0408 6.0413 8.4491 8.4673 8.9383 8.9566 10.5803 10.5804 12.2409 12.2415 13.2512 13.2611 13.7259 13.7280 14.0328 14.0349 k = 0.0294 0.0178 0.0128 ( 6852 PWs) bands (ev): -21.7073 -21.7073 -21.6464 -21.6464 -14.6489 -14.6489 -13.7334 -13.7334 -11.8227 -11.8213 -11.7472 -11.7457 -11.2572 -11.2555 -11.2056 -11.2039 -6.6607 -6.6607 -5.4926 -5.4916 -5.3909 -5.3898 -5.2466 -5.2457 -5.2229 -5.2215 -5.1446 -5.1438 -5.0949 -5.0935 -2.9844 -2.9844 -1.2107 -1.2073 -0.7706 -0.7665 -0.4663 -0.4656 2.0290 2.0332 2.3299 2.3329 2.3888 2.3954 3.0618 3.0665 3.0667 3.0711 4.2871 4.2913 4.3113 4.3155 4.3997 4.3999 4.5879 4.5889 4.6074 4.6080 4.7757 4.7757 5.0452 5.0461 5.0812 5.0818 5.4394 5.4396 6.0479 6.0482 8.4370 8.4492 8.9257 8.9379 10.5719 10.5720 12.2401 12.2404 13.2644 13.2709 13.7389 13.7407 14.0330 14.0343 k = 0.0147 0.0089 0.0064 ( 6861 PWs) bands (ev): -21.7074 -21.7074 -21.6464 -21.6464 -14.6501 -14.6501 -13.7315 -13.7315 -11.8232 -11.8224 -11.7475 -11.7468 -11.2557 -11.2549 -11.2041 -11.2033 -6.6640 -6.6640 -5.4932 -5.4927 -5.3910 -5.3905 -5.2475 -5.2470 -5.2229 -5.2222 -5.1448 -5.1444 -5.0946 -5.0939 -2.9707 -2.9707 -1.2155 -1.2137 -0.7734 -0.7714 -0.4771 -0.4768 2.0357 2.0378 2.3352 2.3367 2.3986 2.4018 3.0609 3.0632 3.0658 3.0680 4.2887 4.2908 4.3134 4.3155 4.4000 4.4001 4.5881 4.5885 4.6074 4.6077 4.7781 4.7781 5.0479 5.0484 5.0840 5.0843 5.4396 5.4397 6.0522 6.0524 8.4310 8.4371 8.9193 8.9255 10.5669 10.5670 12.2396 12.2398 13.2730 13.2762 13.7470 13.7480 14.0332 14.0338 k = 0.0000 0.0000 0.0000 ( 6867 PWs) bands (ev): -21.7074 -21.7074 -21.6464 -21.6464 -14.6504 -14.6504 -13.7309 -13.7309 -11.8231 -11.8231 -11.7474 -11.7474 -11.2549 -11.2549 -11.2034 -11.2034 -6.6651 -6.6651 -5.4933 -5.4933 -5.3909 -5.3909 -5.2476 -5.2476 -5.2227 -5.2227 -5.1448 -5.1448 -5.0942 -5.0942 -2.9662 -2.9662 -1.2165 -1.2165 -0.7737 -0.7737 -0.4807 -0.4807 2.0386 2.0386 2.3375 2.3375 2.4029 2.4029 3.0613 3.0613 3.0662 3.0662 4.2899 4.2899 4.3148 4.3148 4.4002 4.4002 4.5883 4.5883 4.6075 4.6075 4.7789 4.7789 5.0490 5.0490 5.0850 5.0850 5.4397 5.4397 6.0537 6.0537 8.4310 8.4310 8.9192 8.9192 10.5653 10.5653 12.2395 12.2395 13.2769 13.2769 13.7501 13.7501 14.0334 14.0334 k = 0.0000 0.0000 0.0000 ( 6867 PWs) bands (ev): -21.7074 -21.7074 -21.6464 -21.6464 -14.6504 -14.6504 -13.7309 -13.7309 -11.8231 -11.8231 -11.7474 -11.7474 -11.2549 -11.2549 -11.2034 -11.2034 -6.6651 -6.6651 -5.4933 -5.4933 -5.3909 -5.3909 -5.2476 -5.2476 -5.2227 -5.2227 -5.1448 -5.1448 -5.0942 -5.0942 -2.9662 -2.9662 -1.2165 -1.2165 -0.7737 -0.7737 -0.4807 -0.4807 2.0386 2.0386 2.3375 2.3375 2.4029 2.4029 3.0613 3.0613 3.0662 3.0662 4.2899 4.2899 4.3148 4.3148 4.4002 4.4002 4.5883 4.5883 4.6075 4.6075 4.7789 4.7789 5.0490 5.0490 5.0850 5.0850 5.4397 5.4397 6.0537 6.0537 8.4310 8.4310 8.9192 8.9192 10.5653 10.5653 12.2395 12.2395 13.2769 13.2769 13.7501 13.7501 14.0334 14.0334 k = 0.0095-0.0050-0.0149 ( 6865 PWs) bands (ev): -21.7074 -21.7074 -21.6464 -21.6464 -14.6503 -14.6498 -13.7322 -13.7310 -11.8239 -11.8215 -11.7471 -11.7471 -11.2560 -11.2545 -11.2037 -11.2037 -6.6648 -6.6626 -5.4939 -5.4923 -5.3926 -5.3892 -5.2484 -5.2466 -5.2224 -5.2224 -5.1466 -5.1429 -5.0942 -5.0942 -2.9725 -2.9704 -1.2300 -1.1975 -0.7723 -0.7721 -0.4948 -0.4584 2.0042 2.0665 2.3021 2.3556 2.4068 2.4116 3.0617 3.0617 3.0666 3.0667 4.2743 4.2949 4.3087 4.3116 4.4022 4.4152 4.5836 4.5883 4.6053 4.6059 4.7796 4.7848 5.0445 5.0516 5.0841 5.0843 5.4391 5.4395 6.0439 6.0634 8.4128 8.4543 8.9217 8.9218 10.5609 10.5756 12.2380 12.2443 13.2672 13.2819 13.7473 13.7476 14.0186 14.0478 k = 0.0190-0.0099-0.0297 ( 6867 PWs) bands (ev): -21.7073 -21.7073 -21.6464 -21.6464 -14.6493 -14.6484 -13.7349 -13.7326 -11.8242 -11.8195 -11.7463 -11.7462 -11.2578 -11.2548 -11.2047 -11.2046 -6.6615 -6.6572 -5.4942 -5.4909 -5.3942 -5.3875 -5.2488 -5.2452 -5.2217 -5.2217 -5.1484 -5.1412 -5.0941 -5.0940 -2.9894 -2.9849 -1.2376 -1.1740 -0.7686 -0.7668 -0.5008 -0.4283 1.9639 2.0869 2.2596 2.3530 2.4135 2.4362 3.0624 3.0629 3.0679 3.0683 4.2498 4.2832 4.3008 4.3069 4.4196 4.4380 4.5727 4.5824 4.6009 4.6036 4.7865 4.7957 5.0378 5.0526 5.0815 5.0825 5.4375 5.4384 6.0341 6.0727 8.4000 8.4823 8.9288 8.9299 10.5626 10.5918 12.2395 12.2525 13.2530 13.2820 13.7387 13.7405 14.0033 14.0618 k = 0.0285-0.0149-0.0446 ( 6861 PWs) bands (ev): -21.7073 -21.7073 -21.6464 -21.6464 -14.6475 -14.6462 -13.7390 -13.7357 -11.8238 -11.8168 -11.7449 -11.7446 -11.2604 -11.2557 -11.2064 -11.2061 -6.6555 -6.6489 -5.4941 -5.4891 -5.3958 -5.3858 -5.2488 -5.2437 -5.2205 -5.2203 -5.1502 -5.1395 -5.0939 -5.0938 -3.0161 -3.0092 -1.2394 -1.1472 -0.7629 -0.7572 -0.4981 -0.3903 1.9184 2.0982 2.2142 2.3423 2.4202 2.4643 3.0631 3.0643 3.0705 3.0717 4.2207 4.2573 4.2978 4.3018 4.4429 4.4624 4.5558 4.5681 4.5990 4.6028 4.7977 4.8098 5.0282 5.0514 5.0778 5.0805 5.4352 5.4365 6.0245 6.0814 8.3930 8.5146 8.9402 8.9439 10.5704 10.6138 12.2437 12.2640 13.2349 13.2769 13.7234 13.7295 13.9875 14.0752 k = 0.0380-0.0199-0.0595 ( 6861 PWs) bands (ev): -21.7072 -21.7072 -21.6465 -21.6465 -14.6449 -14.6432 -13.7446 -13.7401 -11.8228 -11.8137 -11.7429 -11.7423 -11.2637 -11.2574 -11.2087 -11.2080 -6.6465 -6.6378 -5.4936 -5.4871 -5.3973 -5.3841 -5.2486 -5.2419 -5.2188 -5.2184 -5.1520 -5.1380 -5.0936 -5.0934 -3.0519 -3.0424 -1.2357 -1.1188 -0.7558 -0.7429 -0.4864 -0.3449 1.8681 2.0958 2.1707 2.3285 2.4260 2.4907 3.0635 3.0654 3.0750 3.0770 4.1897 4.2280 4.2938 4.2960 4.4665 4.4840 4.5374 4.5492 4.5986 4.6031 4.8114 4.8253 5.0157 5.0471 5.0743 5.0787 5.4320 5.4337 6.0149 6.0889 8.3920 8.5507 8.9556 8.9641 10.5841 10.6414 12.2502 12.2789 13.2131 13.2665 13.7012 13.7148 13.9708 14.0879 k = 0.0475-0.0248-0.0744 ( 6863 PWs) bands (ev): -21.7071 -21.7071 -21.6465 -21.6465 -14.6415 -14.6394 -13.7515 -13.7460 -11.8212 -11.8102 -11.7404 -11.7392 -11.2679 -11.2597 -11.2117 -11.2104 -6.6347 -6.6239 -5.4928 -5.4847 -5.3987 -5.3825 -5.2480 -5.2400 -5.2167 -5.2160 -5.1536 -5.1365 -5.0934 -5.0929 -3.0958 -3.0835 -1.2273 -1.0902 -0.7473 -0.7239 -0.4651 -0.2922 1.8134 2.0695 2.1392 2.3130 2.4310 2.5143 3.0637 3.0660 3.0817 3.0844 4.1580 4.1975 4.2879 4.2894 4.4832 4.4889 4.5303 4.5354 4.5988 4.6038 4.8259 4.8407 5.0007 5.0386 5.0723 5.0775 5.4280 5.4301 6.0054 6.0950 8.3973 8.5904 8.9746 8.9909 10.6038 10.6743 12.2582 12.2969 13.1884 13.2507 13.6719 13.6968 13.9528 14.0965 k = 0.0570-0.0298-0.0892 ( 6869 PWs) bands (ev): -21.7070 -21.7070 -21.6465 -21.6465 -14.6374 -14.6349 -13.7597 -13.7532 -11.8191 -11.8064 -11.7374 -11.7352 -11.2729 -11.2628 -11.2153 -11.2131 -6.6201 -6.6072 -5.4916 -5.4820 -5.4000 -5.3810 -5.2470 -5.2379 -5.2141 -5.2129 -5.1550 -5.1352 -5.0931 -5.0924 -3.1466 -3.1315 -1.2149 -1.0629 -0.7374 -0.7007 -0.4336 -0.2328 1.7546 2.0205 2.1188 2.2960 2.4349 2.5346 3.0635 3.0662 3.0905 3.0939 4.1264 4.1665 4.2798 4.2820 4.4688 4.4768 4.5370 4.5500 4.5993 4.6049 4.8400 4.8548 4.9840 5.0266 5.0719 5.0767 5.4231 5.4256 5.9957 6.0993 8.4088 8.6332 8.9970 9.0246 10.6292 10.7124 12.2670 12.3177 13.1614 13.2296 13.6358 13.6755 13.9331 14.0848 k = 0.0665-0.0348-0.1041 ( 6867 PWs) bands (ev): -21.7069 -21.7069 -21.6466 -21.6466 -14.6325 -14.6295 -13.7691 -13.7617 -11.8164 -11.8023 -11.7337 -11.7304 -11.2789 -11.2668 -11.2194 -11.2161 -6.6027 -6.5878 -5.4901 -5.4790 -5.4011 -5.3795 -5.2458 -5.2359 -5.2111 -5.2092 -5.1562 -5.1340 -5.0930 -5.0918 -3.2033 -3.1852 -1.1993 -1.0375 -0.7258 -0.6738 -0.3917 -0.1672 1.6921 1.9613 2.0977 2.2772 2.4378 2.5518 3.0629 3.0658 3.1014 3.1055 4.0952 4.1356 4.2697 4.2733 4.4419 4.4532 4.5560 4.5713 4.5999 4.6062 4.8526 4.8657 4.9679 5.0127 5.0725 5.0765 5.4175 5.4203 5.9859 6.1015 8.4265 8.6790 9.0228 9.0653 10.6602 10.7554 12.2752 12.3410 13.1331 13.2034 13.5938 13.6510 13.9116 14.0655 k = 0.0759-0.0397-0.1190 ( 6869 PWs) bands (ev): -21.7067 -21.7067 -21.6466 -21.6466 -14.6268 -14.6234 -13.7798 -13.7715 -11.8134 -11.7980 -11.7295 -11.7246 -11.2858 -11.2715 -11.2239 -11.2192 -6.5826 -6.5657 -5.4883 -5.4758 -5.4021 -5.3782 -5.2443 -5.2337 -5.2077 -5.2050 -5.1572 -5.1330 -5.0929 -5.0911 -3.2646 -3.2438 -1.1813 -1.0144 -0.7122 -0.6440 -0.3395 -0.0959 1.6263 1.8968 2.0717 2.2560 2.4398 2.5657 3.0619 3.0650 3.1145 3.1192 4.0648 4.1049 4.2576 4.2629 4.4134 4.4255 4.5769 4.5922 4.6007 4.6078 4.8617 4.8701 4.9560 4.9985 5.0737 5.0768 5.4111 5.4141 5.9756 6.1013 8.4501 8.7274 9.0518 9.1130 10.6965 10.8031 12.2815 12.3661 13.1046 13.1725 13.5465 13.6232 13.8881 14.0433 k = 0.0854-0.0447-0.1338 ( 6875 PWs) bands (ev): -21.7065 -21.7065 -21.6467 -21.6467 -14.6203 -14.6165 -13.7916 -13.7825 -11.8100 -11.7937 -11.7245 -11.7179 -11.2937 -11.2772 -11.2288 -11.2226 -6.5598 -6.5410 -5.4862 -5.4724 -5.4029 -5.3770 -5.2425 -5.2315 -5.2040 -5.2003 -5.1579 -5.1321 -5.0929 -5.0905 -3.3297 -3.3061 -1.1617 -0.9936 -0.6961 -0.6118 -0.2778 -0.0195 1.5575 1.8287 2.0403 2.2318 2.4406 2.5767 3.0606 3.0639 3.1296 3.1349 4.0354 4.0747 4.2429 4.2505 4.3850 4.3971 4.5952 4.6023 4.6072 4.6154 4.8595 4.8695 4.9528 4.9866 5.0753 5.0779 5.4040 5.4072 5.9649 6.0985 8.4792 8.7781 9.0843 9.1678 10.7380 10.8551 12.2839 12.3922 13.0766 13.1376 13.4953 13.5922 13.8630 14.0187 k = 0.0949-0.0497-0.1487 ( 6877 PWs) bands (ev): -21.7064 -21.7064 -21.6467 -21.6467 -14.6131 -14.6089 -13.8044 -13.7946 -11.8064 -11.7893 -11.7189 -11.7101 -11.3026 -11.2838 -11.2340 -11.2261 -6.5344 -6.5137 -5.4839 -5.4688 -5.4035 -5.3759 -5.2404 -5.2293 -5.2000 -5.1951 -5.1583 -5.1313 -5.0931 -5.0898 -3.3976 -3.3715 -1.1412 -0.9748 -0.6771 -0.5772 -0.2078 0.0613 1.4859 1.7576 2.0038 2.2040 2.4404 2.5847 3.0590 3.0624 3.1467 3.1525 4.0071 4.0451 4.2253 4.2354 4.3577 4.3695 4.5998 4.6072 4.6192 4.6333 4.8423 4.8657 4.9578 4.9800 5.0772 5.0799 5.3961 5.3994 5.9535 6.0932 8.5134 8.8308 9.1205 9.2293 10.7841 10.9111 12.2803 12.4183 13.0491 13.1011 13.4415 13.5577 13.8367 13.9920 k = 0.1044-0.0546-0.1636 ( 6873 PWs) bands (ev): -21.7062 -21.7062 -21.6468 -21.6468 -14.6051 -14.6005 -13.8183 -13.8078 -11.8027 -11.7848 -11.7125 -11.7015 -11.3124 -11.2914 -11.2394 -11.2298 -6.5063 -6.4838 -5.4813 -5.4650 -5.4040 -5.3750 -5.2382 -5.2271 -5.1958 -5.1896 -5.1583 -5.1307 -5.0934 -5.0892 -3.4676 -3.4392 -1.1203 -0.9577 -0.6547 -0.5401 -0.1308 0.1461 1.4119 1.6838 1.9626 2.1724 2.4389 2.5898 3.0573 3.0609 3.1656 3.1718 3.9801 4.0161 4.2042 4.2173 4.3326 4.3438 4.6003 4.6084 4.6362 4.6505 4.8182 4.8538 4.9670 4.9800 5.0793 5.0832 5.3875 5.3910 5.9413 6.0853 8.5520 8.8851 9.1611 9.2974 10.8348 10.9710 12.2687 12.4428 13.0179 13.0689 13.3871 13.5198 13.8100 13.9636 k = 0.1139-0.0596-0.1785 ( 6871 PWs) bands (ev): -21.7060 -21.7060 -21.6469 -21.6468 -14.5964 -14.5914 -13.8330 -13.8219 -11.7989 -11.7804 -11.7053 -11.6918 -11.3231 -11.2999 -11.2450 -11.2336 -6.4758 -6.4516 -5.4786 -5.4611 -5.4042 -5.3743 -5.2357 -5.2249 -5.1914 -5.1837 -5.1579 -5.1301 -5.0939 -5.0885 -3.5389 -3.5085 -1.0995 -0.9423 -0.6284 -0.5005 -0.0482 0.2342 1.3359 1.6079 1.9172 2.1367 2.4361 2.5923 3.0558 3.0595 3.1862 3.1927 3.9542 3.9877 4.1797 4.1958 4.3103 4.3206 4.6002 4.6089 4.6519 4.6661 4.7908 4.8346 4.9776 4.9852 5.0820 5.0876 5.3783 5.3817 5.9283 6.0748 8.5944 8.9401 9.2067 9.3717 10.8895 11.0342 12.2471 12.4637 12.9765 13.0485 13.3349 13.4785 13.7834 13.9336 k = 0.1234-0.0645-0.1933 ( 6867 PWs) bands (ev): -21.7058 -21.7058 -21.6469 -21.6469 -14.5870 -14.5816 -13.8486 -13.8370 -11.7951 -11.7760 -11.6972 -11.6814 -11.3346 -11.3094 -11.2506 -11.2377 -6.4428 -6.4169 -5.4756 -5.4572 -5.4042 -5.3738 -5.2331 -5.2227 -5.1871 -5.1777 -5.1569 -5.1298 -5.0945 -5.0880 -3.6111 -3.5788 -1.0793 -0.9283 -0.5980 -0.4582 0.0391 0.3251 1.2581 1.5300 1.8678 2.0968 2.4319 2.5921 3.0547 3.0584 3.2082 3.2149 3.9294 3.9596 4.1522 4.1712 4.2909 4.3002 4.5997 4.6089 4.6660 4.6794 4.7620 4.8108 4.9881 4.9931 5.0855 5.0933 5.3684 5.3718 5.9144 6.0621 8.6399 8.9951 9.2584 9.4518 10.9480 11.1006 12.2145 12.4781 12.9260 13.0384 13.2886 13.4344 13.7579 13.9025 k = 0.1329-0.0695-0.2082 ( 6877 PWs) bands (ev): -21.7055 -21.7055 -21.6470 -21.6470 -14.5768 -14.5711 -13.8650 -13.8529 -11.7913 -11.7718 -11.6883 -11.6700 -11.3469 -11.3198 -11.2565 -11.2419 -6.4075 -6.3800 -5.4726 -5.4533 -5.4039 -5.3735 -5.2303 -5.2205 -5.1828 -5.1717 -5.1553 -5.1295 -5.0951 -5.0874 -3.6835 -3.6497 -1.0599 -0.9155 -0.5633 -0.4130 0.1300 0.4182 1.1789 1.4505 1.8147 2.0528 2.4264 2.5894 3.0541 3.0581 3.2316 3.2383 3.9054 3.9317 4.1227 4.1443 4.2741 4.2821 4.5988 4.6086 4.6780 4.6892 4.7342 4.7843 4.9979 5.0019 5.0903 5.1004 5.3580 5.3612 5.8996 6.0471 8.6879 9.0490 9.3171 9.5374 11.0099 11.1698 12.1706 12.4825 12.8697 13.0328 13.2532 13.3886 13.7343 13.8706 k = 0.1424-0.0745-0.2231 ( 6877 PWs) bands (ev): -21.7053 -21.7053 -21.6471 -21.6470 -14.5660 -14.5599 -13.8821 -13.8696 -11.7876 -11.7676 -11.6785 -11.6580 -11.3599 -11.3311 -11.2624 -11.2464 -6.3700 -6.3410 -5.4694 -5.4495 -5.4033 -5.3734 -5.2275 -5.2182 -5.1788 -5.1661 -5.1532 -5.1293 -5.0955 -5.0869 -3.7556 -3.7207 -1.0414 -0.9038 -0.5242 -0.3650 0.2236 0.5131 1.0986 1.3696 1.7582 2.0046 2.4195 2.5841 3.0545 3.0588 3.2561 3.2628 3.8816 3.9036 4.0924 4.1165 4.2592 4.2660 4.5975 4.6078 4.6860 4.6876 4.7172 4.7568 5.0066 5.0104 5.0967 5.1090 5.3473 5.3501 5.8839 6.0301 8.7377 9.1010 9.3835 9.6279 11.0747 11.2414 12.1162 12.4735 12.8089 13.0260 13.2332 13.3438 13.7135 13.8382 k = 0.1519-0.0794-0.2379 ( 6883 PWs) bands (ev): -21.7051 -21.7051 -21.6471 -21.6471 -14.5546 -14.5481 -13.8997 -13.8869 -11.7839 -11.7635 -11.6678 -11.6452 -11.3736 -11.3432 -11.2685 -11.2511 -6.3303 -6.2999 -5.4662 -5.4458 -5.4025 -5.3734 -5.2246 -5.2160 -5.1752 -5.1610 -5.1505 -5.1290 -5.0954 -5.0864 -3.8272 -3.7915 -1.0239 -0.8930 -0.4810 -0.3141 0.3193 0.6089 1.0180 1.2878 1.6984 1.9523 2.4113 2.5765 3.0561 3.0607 3.2815 3.2881 3.8576 3.8749 4.0626 4.0889 4.2458 4.2513 4.5953 4.6065 4.6626 4.6921 4.7191 4.7317 5.0138 5.0178 5.1048 5.1190 5.3362 5.3385 5.8673 6.0113 8.7889 9.1508 9.4578 9.7229 11.1420 11.3149 12.0526 12.4481 12.7440 13.0136 13.2268 13.3070 13.6965 13.8059 k = 0.1614-0.0844-0.2528 ( 6873 PWs) bands (ev): -21.7049 -21.7049 -21.6472 -21.6472 -14.5424 -14.5356 -13.9179 -13.9049 -11.7804 -11.7596 -11.6562 -11.6318 -11.3878 -11.3559 -11.2747 -11.2560 -6.2886 -6.2568 -5.4630 -5.4424 -5.4013 -5.3737 -5.2218 -5.2138 -5.1720 -5.1572 -5.1476 -5.1282 -5.0945 -5.0860 -3.8977 -3.8615 -1.0074 -0.8830 -0.4336 -0.2603 0.4165 0.7040 0.9384 1.2055 1.6355 1.8960 2.4018 2.5666 3.0590 3.0641 3.3077 3.3141 3.8327 3.8452 4.0346 4.0628 4.2334 4.2376 4.5914 4.6046 4.6354 4.6815 4.7185 4.7261 5.0196 5.0238 5.1146 5.1303 5.3252 5.3265 5.8498 5.9909 8.8412 9.1985 9.5398 9.8220 11.2112 11.3897 11.9816 12.4060 12.6749 12.9924 13.2188 13.2949 13.6845 13.7746 k = 0.1709-0.0894-0.2677 ( 6887 PWs) bands (ev): -21.7046 -21.7046 -21.6472 -21.6472 -14.5297 -14.5225 -13.9365 -13.9233 -11.7769 -11.7558 -11.6439 -11.6179 -11.4025 -11.3694 -11.2811 -11.2612 -6.2450 -6.2119 -5.4597 -5.4395 -5.3998 -5.3739 -5.2190 -5.2117 -5.1691 -5.1555 -5.1443 -5.1267 -5.0924 -5.0855 -3.9670 -3.9307 -0.9918 -0.8736 -0.3825 -0.2040 0.5145 0.7860 0.8717 1.1232 1.5697 1.8359 2.3913 2.5546 3.0635 3.0692 3.3344 3.3404 3.8062 3.8143 4.0094 4.0389 4.2217 4.2247 4.5814 4.6011 4.6141 4.6562 4.7198 4.7313 5.0241 5.0282 5.1260 5.1421 5.3140 5.3149 5.8314 5.9692 8.8940 9.2442 9.6285 9.9248 11.2816 11.4646 11.9054 12.3486 12.6019 12.9587 13.2027 13.3133 13.6787 13.7453 k = 0.1804-0.0943-0.2826 ( 6883 PWs) bands (ev): -21.7044 -21.7044 -21.6473 -21.6473 -14.5163 -14.5088 -13.9554 -13.9421 -11.7735 -11.7522 -11.6309 -11.6036 -11.4176 -11.3834 -11.2876 -11.2667 -6.1996 -6.1654 -5.4565 -5.4372 -5.3979 -5.3740 -5.2163 -5.2096 -5.1665 -5.1564 -5.1407 -5.1244 -5.0886 -5.0850 -4.0346 -3.9985 -0.9772 -0.8647 -0.3278 -0.1451 0.6122 0.7584 0.9130 1.0437 1.5012 1.7721 2.3798 2.5409 3.0697 3.0762 3.3611 3.3668 3.7781 3.7822 3.9879 4.0179 4.2106 4.2125 4.5596 4.5957 4.6047 4.6284 4.7233 4.7357 5.0275 5.0314 5.1383 5.1538 5.3023 5.3051 5.8122 5.9461 8.9473 9.2885 9.7234 10.0308 11.3517 11.5371 11.8284 12.2792 12.5253 12.9102 13.1911 13.3454 13.6806 13.7201 k = 0.1899-0.0993-0.2974 ( 6875 PWs) bands (ev): -21.7042 -21.7042 -21.6474 -21.6474 -14.5024 -14.4946 -13.9747 -13.9613 -11.7702 -11.7487 -11.6172 -11.5889 -11.4330 -11.3978 -11.2944 -11.2725 -6.1527 -6.1173 -5.4533 -5.4358 -5.3959 -5.3738 -5.2138 -5.2080 -5.1643 -5.1594 -5.1371 -5.1214 -5.0845 -5.0830 -4.1004 -4.0648 -0.9632 -0.8562 -0.2700 -0.0841 0.6724 0.7195 0.9416 1.0259 1.4303 1.7048 2.3676 2.5256 3.0778 3.0850 3.3872 3.3925 3.7485 3.7496 3.9704 3.9999 4.1999 4.2008 4.5321 4.5851 4.5985 4.6076 4.7263 4.7390 5.0299 5.0335 5.1506 5.1641 5.2913 5.2975 5.7922 5.9220 9.0009 9.3317 9.8233 10.1395 11.4176 11.5978 11.7635 12.2012 12.4458 12.8485 13.1859 13.3794 13.6913 13.7025 k = 0.1994-0.1043-0.3123 ( 6879 PWs) bands (ev): -21.7040 -21.7040 -21.6474 -21.6474 -14.4879 -14.4798 -13.9941 -13.9808 -11.7669 -11.7453 -11.6030 -11.5741 -11.4484 -11.4127 -11.3013 -11.2785 -6.1045 -6.0679 -5.4502 -5.4354 -5.3938 -5.3728 -5.2116 -5.2070 -5.1647 -5.1612 -5.1340 -5.1177 -5.0838 -5.0759 -4.1640 -4.1293 -0.9500 -0.8480 -0.2093 -0.0213 0.5979 0.8113 0.8679 1.1145 1.3577 1.6344 2.3549 2.5092 3.0876 3.0957 3.4117 3.4164 3.7174 3.7189 3.9567 3.9850 4.1895 4.1899 4.5034 4.5606 4.5931 4.6010 4.7284 4.7411 5.0315 5.0348 5.1616 5.1714 5.2821 5.2935 5.7715 5.8970 9.0544 9.3741 9.9277 10.2503 11.4638 11.6174 11.7537 12.1190 12.3639 12.7770 13.1831 13.4069 13.6967 13.7131 k = 0.2089-0.1092-0.3272 ( 6885 PWs) bands (ev): -21.7038 -21.7038 -21.6475 -21.6475 -14.4729 -14.4645 -14.0137 -14.0004 -11.7637 -11.7421 -11.5884 -11.5596 -11.4635 -11.4278 -11.3084 -11.2848 -6.0552 -6.0173 -5.4473 -5.4363 -5.3920 -5.3708 -5.2103 -5.2069 -5.1690 -5.1593 -5.1317 -5.1133 -5.0830 -5.0674 -4.2253 -4.1918 -0.9373 -0.8401 -0.1461 0.0423 0.5195 0.7851 0.9093 1.2057 1.2882 1.5613 2.3418 2.4918 3.0993 3.1083 3.4324 3.4366 3.6882 3.6914 3.9465 3.9730 4.1788 4.1800 4.4750 4.5321 4.5895 4.5973 4.7295 4.7422 5.0323 5.0356 5.1692 5.1741 5.2766 5.2947 5.7500 5.8712 9.1079 9.4159 10.0355 10.3627 11.4458 11.6351 11.7976 12.0408 12.2808 12.6985 13.1794 13.4202 13.7106 13.7439 k = 0.2184-0.1142-0.3421 ( 6891 PWs) bands (ev): -21.7036 -21.7036 -21.6475 -21.6475 -14.4575 -14.4488 -14.0333 -14.0201 -11.7606 -11.7390 -11.5736 -11.5462 -11.4774 -11.4430 -11.3157 -11.2914 -6.0051 -5.9659 -5.4446 -5.4384 -5.3905 -5.3673 -5.2129 -5.2058 -5.1725 -5.1572 -5.1301 -5.1082 -5.0820 -5.0577 -4.2841 -4.2521 -0.9251 -0.8323 -0.0808 0.1048 0.4442 0.7048 1.0007 1.2010 1.3157 1.4864 2.3286 2.4738 3.1128 3.1227 3.4461 3.4496 3.6657 3.6698 3.9394 3.9636 4.1686 4.1706 4.4473 4.5035 4.5861 4.5938 4.7298 4.7422 5.0325 5.0361 5.1697 5.1729 5.2767 5.3018 5.7278 5.8446 9.1613 9.4571 10.1462 10.4756 11.3719 11.6843 11.8274 11.9927 12.1992 12.6151 13.1731 13.4172 13.7444 13.7842 k = 0.2278-0.1192-0.3569 ( 6883 PWs) bands (ev): -21.7034 -21.7034 -21.6475 -21.6475 -14.4416 -14.4327 -14.0529 -14.0399 -11.7575 -11.7360 -11.5590 -11.5366 -11.4875 -11.4579 -11.3232 -11.2983 -5.9545 -5.9137 -5.4443 -5.4399 -5.3893 -5.3626 -5.2199 -5.2040 -5.1741 -5.1550 -5.1288 -5.1025 -5.0807 -5.0471 -4.3403 -4.3098 -0.9133 -0.8246 -0.0141 0.1597 0.3790 0.6257 1.0622 1.1561 1.3926 1.4264 2.3155 2.4556 3.1282 3.1389 3.4480 3.4506 3.6550 3.6594 3.9347 3.9564 4.1588 4.1617 4.4205 4.4756 4.5828 4.5903 4.7291 4.7412 5.0322 5.0365 5.1622 5.1685 5.2835 5.3140 5.7051 5.8175 9.2143 9.4978 10.2591 10.5875 11.2819 11.7068 11.8259 11.9991 12.1325 12.5280 13.1637 13.4014 13.7938 13.8325 k = 0.2373-0.1241-0.3718 ( 6879 PWs) bands (ev): -21.7032 -21.7032 -21.6476 -21.6476 -14.4253 -14.4161 -14.0724 -14.0596 -11.7544 -11.7332 -11.5455 -11.5364 -11.4879 -11.4717 -11.3309 -11.3054 -5.9039 -5.8610 -5.4490 -5.4380 -5.3882 -5.3568 -5.2302 -5.2020 -5.1741 -5.1528 -5.1278 -5.0965 -5.0788 -5.0354 -4.3937 -4.3649 -0.9019 -0.8171 0.0532 0.1823 0.3486 0.5489 1.0169 1.2048 1.3353 1.5076 2.3025 2.4373 3.1453 3.1568 3.4350 3.4375 3.6588 3.6629 3.9320 3.9512 4.1497 4.1533 4.3949 4.4486 4.5793 4.5866 4.7276 4.7394 5.0316 5.0367 5.1507 5.1591 5.2956 5.3299 5.6819 5.7899 9.2670 9.5381 10.3732 10.6947 11.1910 11.6463 11.8719 11.9721 12.1358 12.4385 13.1516 13.3781 13.8531 13.8874 k = 0.2468-0.1291-0.3867 ( 6875 PWs) bands (ev): -21.7031 -21.7030 -21.6476 -21.6476 -14.4087 -14.3993 -14.0918 -14.0792 -11.7514 -11.7304 -11.5470 -11.5344 -11.4825 -11.4779 -11.3388 -11.3128 -5.8537 -5.8082 -5.4560 -5.4357 -5.3872 -5.3502 -5.2428 -5.2001 -5.1730 -5.1506 -5.1269 -5.0906 -5.0759 -5.0228 -4.4444 -4.4170 -0.8908 -0.8096 0.1187 0.1467 0.3788 0.4766 0.9388 1.2125 1.3338 1.6008 2.2899 2.4191 3.1642 3.1764 3.4093 3.4128 3.6748 3.6785 3.9310 3.9477 4.1411 4.1456 4.3706 4.4228 4.5756 4.5827 4.7252 4.7367 5.0307 5.0368 5.1368 5.1462 5.3112 5.3482 5.6582 5.7619 9.3192 9.5779 10.4875 10.7856 11.1140 11.5534 11.8901 11.9450 12.1964 12.3489 13.1373 13.3506 13.9184 13.9476 k = 0.2563-0.1341-0.4015 ( 6873 PWs) bands (ev): -21.7029 -21.7029 -21.6476 -21.6476 -14.3917 -14.3821 -14.1110 -14.0986 -11.7485 -11.7278 -11.5611 -11.5329 -11.4839 -11.4643 -11.3468 -11.3204 -5.8047 -5.7556 -5.4645 -5.4334 -5.3862 -5.3434 -5.2564 -5.1983 -5.1715 -5.1483 -5.1259 -5.0857 -5.0706 -5.0090 -4.4925 -4.4658 -0.8800 -0.8022 0.0820 0.1784 0.4101 0.4427 0.8562 1.1404 1.4120 1.6928 2.2778 2.4014 3.1846 3.1975 3.3761 3.3805 3.6985 3.7020 3.9310 3.9454 4.1334 4.1388 4.3479 4.3985 4.5718 4.5786 4.7220 4.7332 5.0297 5.0368 5.1215 5.1312 5.3289 5.3679 5.6343 5.7338 9.3707 9.6170 10.6000 10.8233 11.0901 11.4529 11.8032 12.0141 12.2396 12.2905 13.1215 13.3211 13.9871 14.0116 k = 0.2658-0.1390-0.4164 ( 6882 PWs) bands (ev): -21.7028 -21.7028 -21.6476 -21.6476 -14.3745 -14.3648 -14.1299 -14.1178 -11.7455 -11.7252 -11.5768 -11.5416 -11.4751 -11.4489 -11.3549 -11.3282 -5.7575 -5.7034 -5.4744 -5.4315 -5.3854 -5.3376 -5.2695 -5.1966 -5.1700 -5.1458 -5.1247 -5.0824 -5.0621 -4.9939 -4.5379 -4.5113 -0.8695 -0.7949 0.0116 0.2099 0.3788 0.5081 0.7740 1.0570 1.4992 1.7830 2.2662 2.3841 3.2066 3.2199 3.3389 3.3441 3.7264 3.7298 3.9318 3.9440 4.1266 4.1332 4.3270 4.3757 4.5677 4.5743 4.7181 4.7289 5.0287 5.0367 5.1055 5.1148 5.3477 5.3883 5.6105 5.7055 9.4216 9.6554 10.6990 10.7887 11.1483 11.3512 11.7116 12.0707 12.1753 12.3572 13.1048 13.2908 14.0577 14.0785 k = 0.2753-0.1440-0.4313 ( 6886 PWs) bands (ev): -21.7026 -21.7026 -21.6476 -21.6476 -14.3571 -14.3472 -14.1484 -14.1367 -11.7427 -11.7227 -11.5930 -11.5552 -11.4614 -11.4329 -11.3631 -11.3362 -5.7130 -5.6522 -5.4856 -5.4300 -5.3849 -5.3352 -5.2788 -5.1951 -5.1686 -5.1432 -5.1234 -5.0802 -5.0504 -4.9773 -4.5809 -4.5533 -0.8592 -0.7876 -0.0601 0.1861 0.4018 0.5696 0.7014 0.9712 1.5862 1.8708 2.2553 2.3676 3.2299 3.2437 3.2999 3.3057 3.7564 3.7599 3.9329 3.9429 4.1212 4.1291 4.3081 4.3548 4.5634 4.5697 4.7134 4.7238 5.0277 5.0361 5.0894 5.0978 5.3667 5.4085 5.5872 5.6775 9.4716 9.6928 10.6733 10.8331 11.2416 11.2564 11.6195 12.0359 12.1914 12.4351 13.0877 13.2604 14.1291 14.1473 k = 0.2848-0.1490-0.4462 ( 6886 PWs) bands (ev): -21.7025 -21.7025 -21.6476 -21.6476 -14.3395 -14.3296 -14.1666 -14.1552 -11.7398 -11.7203 -11.6095 -11.5705 -11.4458 -11.4168 -11.3713 -11.3442 -5.6718 -5.6024 -5.4979 -5.4293 -5.3851 -5.3392 -5.2806 -5.1938 -5.1673 -5.1406 -5.1220 -5.0784 -5.0352 -4.9588 -4.6213 -4.5918 -0.8492 -0.7805 -0.1312 0.1312 0.4496 0.5757 0.6930 0.8857 1.6715 1.9560 2.2451 2.3518 3.2512 3.2589 3.2680 3.2718 3.7873 3.7909 3.9336 3.9416 4.1176 4.1271 4.2915 4.3360 4.5588 4.5649 4.7079 4.7180 5.0266 5.0340 5.0747 5.0807 5.3854 5.4270 5.5657 5.6501 9.5206 9.7290 10.5803 10.9121 11.1739 11.3490 11.5300 11.9510 12.2578 12.5127 13.0709 13.2306 14.2004 14.2171 k = 0.2943-0.1539-0.4610 ( 6874 PWs) bands (ev): -21.7024 -21.7024 -21.6476 -21.6476 -14.3219 -14.3119 -14.1844 -14.1734 -11.7371 -11.7180 -11.6258 -11.5865 -11.4296 -11.4009 -11.3795 -11.3523 -5.6348 -5.5549 -5.5110 -5.4301 -5.3867 -5.3475 -5.2754 -5.1929 -5.1660 -5.1379 -5.1204 -5.0770 -5.0163 -4.9380 -4.6593 -4.6268 -0.8395 -0.7735 -0.2009 0.0686 0.4497 0.5695 0.7424 0.8126 1.7543 2.0380 2.2357 2.3369 3.2190 3.2255 3.2826 3.2960 3.8180 3.8216 3.9335 3.9392 4.1165 4.1279 4.2776 4.3195 4.5539 4.5598 4.7018 4.7115 5.0245 5.0281 5.0636 5.0651 5.4028 5.4410 5.5487 5.6241 9.5683 9.7635 10.4813 10.9249 11.1562 11.4290 11.4688 11.8664 12.3284 12.5884 13.0547 13.2018 14.2710 14.2871 k = 0.3038-0.1589-0.4759 ( 6874 PWs) bands (ev): -21.7024 -21.7024 -21.6476 -21.6476 -14.3042 -14.2942 -14.2016 -14.1910 -11.7344 -11.7158 -11.6420 -11.6028 -11.4132 -11.3894 -11.3839 -11.3600 -5.6028 -5.5261 -5.5089 -5.4340 -5.3900 -5.3548 -5.2666 -5.1923 -5.1647 -5.1353 -5.1188 -5.0757 -4.9929 -4.9146 -4.6946 -4.6587 -0.8301 -0.7666 -0.2689 0.0051 0.3790 0.6190 0.7061 0.8444 1.8339 2.1163 2.2274 2.3230 3.1803 3.1867 3.3097 3.3233 3.8477 3.8514 3.9318 3.9352 4.1187 4.1321 4.2666 4.3056 4.5487 4.5543 4.6948 4.7042 5.0155 5.0203 5.0514 5.0603 5.4173 5.4451 5.5414 5.6007 9.6145 9.7957 10.3829 10.8581 11.1878 11.3902 11.5355 11.8029 12.3981 12.6610 13.0399 13.1745 14.3403 14.3565 k = 0.3133-0.1639-0.4908 ( 6878 PWs) bands (ev): -21.7023 -21.7023 -21.6476 -21.6476 -14.2866 -14.2765 -14.2184 -14.2082 -11.7318 -11.7137 -11.6579 -11.6191 -11.3974 -11.3961 -11.3748 -11.3626 -5.5775 -5.5379 -5.4703 -5.4419 -5.3930 -5.3580 -5.2569 -5.1919 -5.1632 -5.1329 -5.1171 -5.0746 -4.9648 -4.8883 -4.7272 -4.6875 -0.8209 -0.7601 -0.3348 -0.0573 0.2939 0.5960 0.7163 0.9187 1.9098 2.1880 2.2224 2.3105 3.1427 3.1488 3.3380 3.3517 3.8755 3.8794 3.9278 3.9294 4.1252 4.1401 4.2588 4.2944 4.5432 4.5486 4.6871 4.6962 4.9997 5.0093 5.0453 5.0608 5.4259 5.4365 5.5468 5.5826 9.6586 9.8243 10.2884 10.7656 11.1638 11.4200 11.5476 11.8070 12.4655 12.7288 13.0271 13.1496 14.4077 14.4244 k = 0.3228-0.1688-0.5056 ( 6878 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2690 -14.2591 -14.2345 -14.2247 -11.7293 -11.7117 -11.6734 -11.6353 -11.4049 -11.3833 -11.3769 -11.3506 -5.5684 -5.5398 -5.4602 -5.4330 -5.3918 -5.3570 -5.2475 -5.1918 -5.1616 -5.1306 -5.1153 -5.0737 -4.9321 -4.8589 -4.7571 -4.7134 -0.8122 -0.7538 -0.3982 -0.1178 0.2060 0.5138 0.7868 0.9964 1.9813 2.2088 2.2624 2.3016 3.1068 3.1124 3.3674 3.3808 3.9000 3.9048 3.9199 3.9234 4.1363 4.1522 4.2546 4.2862 4.5372 4.5425 4.6787 4.6875 4.9821 4.9936 5.0450 5.0640 5.4150 5.4294 5.5592 5.5744 9.6994 9.8473 10.2021 10.6675 11.0903 11.4714 11.5224 11.8820 12.5297 12.7896 13.0174 13.1286 14.4725 14.4897 k = 0.3323-0.1738-0.5205 ( 6874 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2517 -14.2501 -14.2418 -14.2407 -11.7271 -11.7098 -11.6882 -11.6513 -11.4130 -11.3887 -11.3634 -11.3359 -5.5792 -5.5286 -5.4747 -5.4146 -5.3831 -5.3506 -5.2393 -5.1917 -5.1598 -5.1285 -5.1136 -5.0730 -4.8953 -4.8269 -4.7838 -4.7358 -0.8039 -0.7481 -0.4589 -0.1758 0.1175 0.4276 0.8626 1.0748 2.0476 2.2040 2.2829 2.3351 3.0733 3.0783 3.3975 3.4106 3.9067 3.9102 3.9280 3.9288 4.1522 4.1677 4.2543 4.2814 4.5309 4.5360 4.6696 4.6781 4.9638 4.9760 5.0477 5.0689 5.3919 5.4196 5.5668 5.5849 9.7338 9.8612 10.1308 10.5689 11.0044 11.3956 11.6144 11.9807 12.5899 12.8398 13.0114 13.1144 14.5333 14.5511 k = 0.3418-0.1787-0.5354 ( 6884 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2649 -14.2561 -14.2346 -14.2249 -11.7255 -11.7087 -11.7014 -11.6669 -11.4210 -11.3969 -11.3478 -11.3213 -5.5944 -5.5248 -5.4839 -5.4078 -5.3731 -5.3352 -5.2328 -5.1913 -5.1578 -5.1267 -5.1119 -5.0725 -4.8577 -4.8060 -4.7956 -4.7508 -0.7962 -0.7432 -0.5165 -0.2310 0.0295 0.3414 0.9395 1.1531 2.1070 2.1998 2.2756 2.3935 3.0428 3.0473 3.4282 3.4407 3.8935 3.8998 3.9466 3.9491 4.1723 4.1856 4.2581 4.2803 4.5242 4.5290 4.6597 4.6681 4.9455 4.9579 5.0525 5.0752 5.3664 5.4013 5.5752 5.6040 9.7522 9.8657 10.0846 10.4719 10.9159 11.3043 11.7185 12.0847 12.6448 12.8753 13.0078 13.1129 14.5867 14.6051 k = 0.3513-0.1837-0.5503 ( 6884 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2791 -14.2707 -14.2179 -14.2084 -11.7268 -11.7139 -11.7052 -11.6821 -11.4288 -11.4053 -11.3324 -11.3071 -5.6105 -5.5367 -5.4804 -5.4049 -5.3677 -5.3146 -5.2282 -5.1904 -5.1557 -5.1251 -5.1101 -5.0721 -4.8432 -4.8039 -4.7843 -4.7362 -0.7892 -0.7396 -0.5700 -0.2832 -0.0573 0.2564 1.0165 1.2308 2.1549 2.1995 2.2695 2.4467 3.0161 3.0205 3.4592 3.4710 3.8778 3.8864 3.9637 3.9673 4.1952 4.2045 4.2659 4.2841 4.5171 4.5217 4.6492 4.6575 4.9272 4.9398 5.0589 5.0826 5.3399 5.3776 5.5876 5.6240 9.7357 9.8759 10.0673 10.3781 10.8280 11.2106 11.8232 12.1891 12.6932 12.8961 13.0023 13.1296 14.6220 14.6390 k = 0.3608-0.1887-0.5651 ( 6888 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2925 -14.2847 -14.2016 -14.1924 -11.7356 -11.7166 -11.7042 -11.6963 -11.4364 -11.4136 -11.3176 -11.2935 -5.6267 -5.5559 -5.4718 -5.4031 -5.3644 -5.2947 -5.2254 -5.1887 -5.1535 -5.1238 -5.1084 -5.0719 -4.8585 -4.8087 -4.7510 -4.6977 -0.7835 -0.7389 -0.6177 -0.3323 -0.1425 0.1731 1.0930 1.3075 2.1761 2.2133 2.2700 2.4922 2.9944 2.9992 3.4901 3.5011 3.8606 3.8712 3.9788 3.9834 4.2191 4.2232 4.2770 4.2945 4.5096 4.5138 4.6380 4.6463 4.9094 4.9219 5.0668 5.0909 5.3134 5.3509 5.6019 5.6436 9.6858 9.8991 10.0685 10.2897 10.7423 11.1169 11.9264 12.2916 12.7332 12.9073 12.9944 13.1610 14.6264 14.6375 k = 0.3702-0.1936-0.5800 ( 6886 PWs) bands (ev): -21.7021 -21.7021 -21.6473 -21.6473 -14.3052 -14.2979 -14.1859 -14.1769 -11.7474 -11.7182 -11.7089 -11.7017 -11.4437 -11.4217 -11.3032 -11.2805 -5.6426 -5.5768 -5.4630 -5.4016 -5.3616 -5.2781 -5.2236 -5.1864 -5.1512 -5.1227 -5.1067 -5.0719 -4.8757 -4.8236 -4.7037 -4.6539 -0.7802 -0.7439 -0.6555 -0.3779 -0.2252 0.0920 1.1687 1.3829 2.1773 2.2255 2.2851 2.5278 2.9789 2.9850 3.5205 3.5304 3.8425 3.8550 3.9920 3.9976 4.2402 4.2427 4.2914 4.3119 4.5017 4.5055 4.6263 4.6347 4.8921 4.9045 5.0761 5.0995 5.2877 5.3229 5.6167 5.6621 9.6222 9.9258 10.0730 10.2126 10.6599 11.0244 12.0270 12.3910 12.7629 12.9137 12.9888 13.1990 14.6123 14.6195 k = 0.3797-0.1986-0.5949 ( 6890 PWs) bands (ev): -21.7021 -21.7021 -21.6473 -21.6473 -14.3171 -14.3103 -14.1707 -14.1621 -11.7594 -11.7281 -11.7109 -11.7005 -11.4507 -11.4297 -11.2895 -11.2681 -5.6581 -5.5976 -5.4551 -5.4005 -5.3590 -5.2657 -5.2219 -5.1838 -5.1489 -5.1217 -5.1050 -5.0720 -4.8914 -4.8386 -4.6542 -4.6081 -0.7854 -0.7548 -0.6773 -0.4201 -0.3050 0.0136 1.2433 1.4567 2.1751 2.2254 2.3080 2.5519 2.9706 2.9795 3.5497 3.5582 3.8244 3.8388 4.0036 4.0101 4.2579 4.2622 4.3107 4.3339 4.4935 4.4968 4.6142 4.6228 4.8755 4.8878 5.0864 5.1074 5.2638 5.2947 5.6311 5.6791 9.5558 9.9459 10.0620 10.1649 10.5816 10.9337 12.1244 12.4862 12.7822 12.9156 12.9914 13.2380 14.5921 14.5976 k = 0.6203 0.1041-0.3768 ( 6890 PWs) bands (ev): -21.7021 -21.7021 -21.6473 -21.6473 -14.3171 -14.3103 -14.1707 -14.1621 -11.7593 -11.7281 -11.7109 -11.7005 -11.4507 -11.4297 -11.2895 -11.2681 -5.6581 -5.5976 -5.4551 -5.4005 -5.3590 -5.2657 -5.2219 -5.1838 -5.1489 -5.1217 -5.1050 -5.0720 -4.8914 -4.8386 -4.6542 -4.6081 -0.7854 -0.7548 -0.6773 -0.4201 -0.3050 0.0136 1.2433 1.4567 2.1751 2.2254 2.3080 2.5519 2.9706 2.9795 3.5497 3.5582 3.8244 3.8388 4.0036 4.0101 4.2579 4.2622 4.3107 4.3339 4.4935 4.4968 4.6142 4.6228 4.8755 4.8878 5.0864 5.1074 5.2638 5.2947 5.6311 5.6791 9.5558 9.9459 10.0620 10.1649 10.5816 10.9337 12.1244 12.4862 12.7822 12.9156 12.9914 13.2380 14.5921 14.5976 k = 0.6110 0.1194-0.3768 ( 6884 PWs) bands (ev): -21.7021 -21.7021 -21.6473 -21.6473 -14.3279 -14.3216 -14.1565 -14.1483 -11.7704 -11.7404 -11.7095 -11.6992 -11.4571 -11.4372 -11.2768 -11.2568 -5.6724 -5.6174 -5.4482 -5.3996 -5.3564 -5.2584 -5.2189 -5.1811 -5.1466 -5.1211 -5.1033 -5.0723 -4.9050 -4.8525 -4.6055 -4.5629 -0.8086 -0.7598 -0.6847 -0.4576 -0.3791 -0.0600 1.3147 1.5269 2.1727 2.2215 2.3260 2.5633 2.9698 2.9839 3.5758 3.5828 3.8078 3.8239 4.0136 4.0209 4.2753 4.2788 4.3336 4.3573 4.4853 4.4880 4.6020 4.6110 4.8602 4.8721 5.0970 5.1127 5.2440 5.2683 5.6443 5.6938 9.4932 9.9376 10.0419 10.1586 10.5103 10.8476 12.2155 12.5735 12.7930 12.9125 13.0036 13.2741 14.5705 14.5755 k = 0.6018 0.1347-0.3768 ( 6888 PWs) bands (ev): -21.7021 -21.7021 -21.6472 -21.6472 -14.3379 -14.3321 -14.1431 -14.1354 -11.7808 -11.7526 -11.7078 -11.6979 -11.4631 -11.4444 -11.2648 -11.2463 -5.6860 -5.6362 -5.4421 -5.3989 -5.3536 -5.2558 -5.2141 -5.1786 -5.1443 -5.1205 -5.1017 -5.0728 -4.9169 -4.8655 -4.5572 -4.5179 -0.8412 -0.7612 -0.6857 -0.4917 -0.4483 -0.1303 1.3846 1.5951 2.1703 2.2167 2.3362 2.5634 2.9765 2.9972 3.5981 3.6032 3.7939 3.8117 4.0226 4.0305 4.2929 4.2950 4.3582 4.3809 4.4769 4.4790 4.5898 4.5991 4.8458 4.8573 5.1067 5.1130 5.2296 5.2455 5.6562 5.7063 9.4349 9.8868 10.0481 10.1689 10.4450 10.7644 12.3025 12.6527 12.7997 12.9077 13.0217 13.3068 14.5489 14.5538 k = 0.5925 0.1500-0.3768 ( 6894 PWs) bands (ev): -21.7022 -21.7022 -21.6472 -21.6472 -14.3471 -14.3418 -14.1305 -14.1233 -11.7905 -11.7642 -11.7060 -11.6968 -11.4687 -11.4513 -11.2536 -11.2366 -5.6986 -5.6540 -5.4367 -5.3985 -5.3507 -5.2567 -5.2083 -5.1763 -5.1420 -5.1202 -5.1001 -5.0734 -4.9271 -4.8777 -4.5101 -4.4740 -0.8748 -0.7643 -0.6842 -0.5246 -0.5090 -0.1971 1.4528 1.6611 2.1681 2.2120 2.3380 2.5539 2.9901 3.0179 3.6136 3.6172 3.7854 3.8043 4.0306 4.0389 4.3094 4.3131 4.3828 4.4037 4.4683 4.4702 4.5776 4.5873 4.8323 4.8433 5.1051 5.1135 5.2185 5.2338 5.6667 5.7165 9.3823 9.8199 10.0661 10.1830 10.3867 10.6845 12.3846 12.7172 12.8080 12.9070 13.0415 13.3354 14.5280 14.5329 k = 0.5833 0.1653-0.3768 ( 6894 PWs) bands (ev): -21.7022 -21.7022 -21.6471 -21.6471 -14.3554 -14.3506 -14.1188 -14.1121 -11.7992 -11.7752 -11.7042 -11.6957 -11.4737 -11.4578 -11.2432 -11.2278 -5.7102 -5.6705 -5.4320 -5.3983 -5.3475 -5.2596 -5.2023 -5.1743 -5.1398 -5.1200 -5.0985 -5.0741 -4.9357 -4.8889 -4.4648 -4.4319 -0.9067 -0.7719 -0.6818 -0.5707 -0.5443 -0.2598 1.5191 1.7247 2.1660 2.2076 2.3321 2.5370 3.0096 3.0436 3.6193 3.6229 3.7850 3.8038 4.0377 4.0463 4.3258 4.3321 4.4059 4.4248 4.4597 4.4619 4.5660 4.5761 4.8200 4.8304 5.0907 5.1114 5.2115 5.2364 5.6756 5.7242 9.3363 9.7505 10.0843 10.1971 10.3371 10.6084 12.4613 12.7544 12.8239 12.9198 13.0608 13.3593 14.5083 14.5131 k = 0.5740 0.1805-0.3768 ( 6890 PWs) bands (ev): -21.7022 -21.7022 -21.6471 -21.6471 -14.3629 -14.3586 -14.1080 -14.1019 -11.8070 -11.7853 -11.7024 -11.6948 -11.4783 -11.4639 -11.2337 -11.2198 -5.7206 -5.6857 -5.4277 -5.3983 -5.3441 -5.2637 -5.1968 -5.1727 -5.1376 -5.1200 -5.0969 -5.0750 -4.9428 -4.8993 -4.4219 -4.3922 -0.9357 -0.7869 -0.6791 -0.6140 -0.5670 -0.3184 1.5834 1.7855 2.1639 2.2036 2.3198 2.5148 3.0339 3.0723 3.6141 3.6197 3.7935 3.8108 4.0440 4.0526 4.3421 4.3511 4.4259 4.4422 4.4528 4.4555 4.5552 4.5657 4.8088 4.8185 5.0719 5.0991 5.2151 5.2463 5.6828 5.7293 9.2976 9.6822 10.0989 10.2094 10.2981 10.5366 12.5315 12.7662 12.8377 12.9547 13.0789 13.3782 14.4901 14.4947 k = 0.5648 0.1958-0.3768 ( 6886 PWs) bands (ev): -21.7022 -21.7022 -21.6471 -21.6471 -14.3695 -14.3658 -14.0983 -14.0928 -11.8139 -11.7946 -11.7008 -11.6940 -11.4823 -11.4694 -11.2251 -11.2129 -5.7297 -5.6995 -5.4239 -5.3986 -5.3405 -5.2685 -5.1919 -5.1713 -5.1355 -5.1201 -5.0953 -5.0759 -4.9484 -4.9089 -4.3821 -4.3557 -0.9612 -0.8113 -0.6763 -0.6444 -0.5849 -0.3723 1.6454 1.8433 2.1615 2.2002 2.3025 2.4888 3.0614 3.1022 3.6007 3.6089 3.8086 3.8236 4.0495 4.0579 4.3579 4.3690 4.4365 4.4412 4.4561 4.4626 4.5459 4.5568 4.7988 4.8077 5.0514 5.0799 5.2270 5.2596 5.6884 5.7318 9.2666 9.6165 10.1073 10.2189 10.2722 10.4698 12.5939 12.7684 12.8445 13.0002 13.0975 13.3921 14.4737 14.4780 k = 0.5555 0.2111-0.3768 ( 6890 PWs) bands (ev): -21.7022 -21.7022 -21.6470 -21.6470 -14.3752 -14.3720 -14.0896 -14.0849 -11.8197 -11.8029 -11.6993 -11.6934 -11.4857 -11.4745 -11.2174 -11.2069 -5.7374 -5.7118 -5.4205 -5.3990 -5.3365 -5.2738 -5.1876 -5.1704 -5.1335 -5.1203 -5.0938 -5.0770 -4.9526 -4.9177 -4.3459 -4.3230 -0.9827 -0.8434 -0.6738 -0.6626 -0.5988 -0.4215 1.7051 1.8977 2.1587 2.1972 2.2819 2.4600 3.0910 3.1320 3.5823 3.5927 3.8269 3.8396 4.0542 4.0621 4.3723 4.3846 4.4338 4.4353 4.4682 4.4758 4.5388 4.5499 4.7901 4.7980 5.0308 5.0581 5.2431 5.2742 5.6925 5.7319 9.2437 9.5540 10.1087 10.2243 10.2608 10.4089 12.6464 12.7678 12.8519 13.0377 13.1225 13.4009 14.4592 14.4631 k = 0.5463 0.2264-0.3768 ( 6892 PWs) bands (ev): -21.7023 -21.7023 -21.6470 -21.6470 -14.3800 -14.3773 -14.0821 -14.0781 -11.8245 -11.8103 -11.6979 -11.6930 -11.4884 -11.4790 -11.2107 -11.2019 -5.7438 -5.7226 -5.4174 -5.3997 -5.3324 -5.2794 -5.1838 -5.1698 -5.1316 -5.1207 -5.0923 -5.0781 -4.9556 -4.9256 -4.3139 -4.2945 -0.9998 -0.8786 -0.6724 -0.6714 -0.6088 -0.4656 1.7623 1.9477 2.1547 2.1945 2.2604 2.4293 3.1213 3.1607 3.5615 3.5735 3.8460 3.8564 4.0581 4.0652 4.3839 4.3957 4.4294 4.4316 4.4806 4.4867 4.5346 4.5455 4.7828 4.7895 5.0115 5.0360 5.2607 5.2886 5.6954 5.7298 9.2290 9.4953 10.1051 10.2263 10.2594 10.3556 12.6865 12.7659 12.8657 13.0570 13.1588 13.4044 14.4467 14.4501 k = 0.5370 0.2416-0.3768 ( 6888 PWs) bands (ev): -21.7023 -21.7023 -21.6470 -21.6470 -14.3839 -14.3818 -14.0758 -14.0726 -11.8281 -11.8167 -11.6967 -11.6927 -11.4905 -11.4829 -11.2050 -11.1979 -5.7487 -5.7318 -5.4146 -5.4006 -5.3279 -5.2851 -5.1806 -5.1696 -5.1299 -5.1212 -5.0908 -5.0794 -4.9572 -4.9328 -4.2866 -4.2709 -1.0122 -0.9130 -0.6765 -0.6697 -0.6153 -0.5045 1.8168 1.9919 2.1490 2.1912 2.2416 2.3970 3.1511 3.1870 3.5404 3.5532 3.8641 3.8723 4.0613 4.0674 4.3913 4.4001 4.4276 4.4309 4.4908 4.4954 4.5336 4.5436 4.7768 4.7824 4.9946 5.0154 5.2780 5.3016 5.6976 5.7262 9.2227 9.4409 10.1011 10.2238 10.2613 10.3138 12.7131 12.7634 12.8881 13.0614 13.2011 13.4027 14.4364 14.4393 k = 0.5278 0.2569-0.3768 ( 6886 PWs) bands (ev): -21.7023 -21.7023 -21.6470 -21.6470 -14.3869 -14.3853 -14.0708 -14.0683 -11.8307 -11.8221 -11.6956 -11.6925 -11.4920 -11.4862 -11.2004 -11.1950 -5.7521 -5.7395 -5.4121 -5.4016 -5.3232 -5.2908 -5.1779 -5.1697 -5.1283 -5.1218 -5.0893 -5.0807 -4.9577 -4.9390 -4.2643 -4.2525 -1.0194 -0.9442 -0.6773 -0.6684 -0.6183 -0.5378 1.8684 2.0259 2.1422 2.1855 2.2312 2.3639 3.1791 3.2095 3.5209 3.5333 3.8798 3.8860 4.0637 4.0686 4.3941 4.3993 4.4280 4.4324 4.4992 4.5027 4.5349 4.5432 4.7722 4.7765 4.9809 4.9973 5.2938 5.3122 5.6993 5.7215 9.2246 9.3914 10.1003 10.2094 10.2638 10.2902 12.7290 12.7603 12.9170 13.0566 13.2427 13.3957 14.4284 14.4306 k = 0.5185 0.2722-0.3768 ( 6880 PWs) bands (ev): -21.7023 -21.7023 -21.6469 -21.6469 -14.3890 -14.3879 -14.0670 -14.0654 -11.8321 -11.8264 -11.6946 -11.6926 -11.4927 -11.4889 -11.1968 -11.1932 -5.7539 -5.7456 -5.4098 -5.4029 -5.3183 -5.2966 -5.1755 -5.1701 -5.1268 -5.1225 -5.0878 -5.0820 -4.9571 -4.9445 -4.2476 -4.2396 -1.0212 -0.9708 -0.6758 -0.6680 -0.6178 -0.5656 1.9168 2.0408 2.1397 2.1772 2.2330 2.3306 3.2036 3.2261 3.5053 3.5155 3.8922 3.8963 4.0656 4.0690 4.3942 4.3969 4.4295 4.4334 4.5062 4.5088 4.5371 4.5431 4.7691 4.7720 4.9713 4.9826 5.3070 5.3196 5.7012 5.7163 9.2345 9.3472 10.1049 10.1835 10.2673 10.2817 12.7384 12.7569 12.9482 13.0449 13.2808 13.3834 14.4227 14.4242 k = 0.5093 0.2875-0.3768 ( 6880 PWs) bands (ev): -21.7023 -21.7023 -21.6469 -21.6469 -14.3901 -14.3896 -14.0646 -14.0638 -11.8324 -11.8295 -11.6938 -11.6928 -11.4928 -11.4909 -11.1943 -11.1925 -5.7542 -5.7501 -5.4078 -5.4043 -5.3131 -5.3022 -5.1736 -5.1709 -5.1255 -5.1234 -5.0863 -5.0834 -4.9554 -4.9490 -4.2366 -4.2326 -1.0173 -0.9921 -0.6732 -0.6687 -0.6131 -0.5874 1.9611 2.0294 2.1472 2.1682 2.2463 2.2983 3.2225 3.2346 3.4961 3.5019 3.9004 3.9024 4.0670 4.0687 4.3937 4.3948 4.4310 4.4332 4.5114 4.5129 4.5393 4.5425 4.7675 4.7690 4.9664 4.9722 5.3167 5.3231 5.7037 5.7114 9.2521 9.3089 10.1158 10.1563 10.2714 10.2782 12.7445 12.7532 12.9782 13.0275 13.3143 13.3657 14.4194 14.4202 k = 0.5000 0.3028-0.3768 ( 6888 PWs) bands (ev): -21.7023 -21.7023 -21.6469 -21.6469 -14.3903 -14.3903 -14.0635 -14.0635 -11.8315 -11.8315 -11.6933 -11.6933 -11.4922 -11.4922 -11.1928 -11.1928 -5.7529 -5.7529 -5.4060 -5.4060 -5.3077 -5.3077 -5.1721 -5.1721 -5.1244 -5.1244 -5.0848 -5.0848 -4.9527 -4.9527 -4.2316 -4.2316 -1.0076 -1.0076 -0.6705 -0.6705 -0.6032 -0.6032 1.9999 1.9999 2.1583 2.1583 2.2692 2.2692 3.2334 3.2334 3.4949 3.4949 3.9039 3.9039 4.0680 4.0680 4.3937 4.3937 4.4323 4.4323 4.5139 4.5139 4.5411 4.5411 4.7675 4.7675 4.9667 4.9667 5.3221 5.3221 5.7071 5.7071 9.2771 9.2771 10.1331 10.1331 10.2751 10.2751 12.7492 12.7492 13.0051 13.0051 13.3426 13.3426 14.4186 14.4186 k = 0.5000 0.3028-0.3768 ( 6888 PWs) bands (ev): -21.7023 -21.7023 -21.6469 -21.6469 -14.3903 -14.3903 -14.0635 -14.0635 -11.8315 -11.8315 -11.6933 -11.6933 -11.4922 -11.4922 -11.1928 -11.1928 -5.7529 -5.7529 -5.4060 -5.4060 -5.3077 -5.3077 -5.1721 -5.1721 -5.1244 -5.1244 -5.0848 -5.0848 -4.9527 -4.9527 -4.2316 -4.2316 -1.0076 -1.0076 -0.6705 -0.6705 -0.6032 -0.6032 1.9999 1.9999 2.1583 2.1583 2.2692 2.2692 3.2334 3.2334 3.4949 3.4949 3.9039 3.9039 4.0680 4.0680 4.3937 4.3937 4.4323 4.4323 4.5139 4.5139 4.5411 4.5411 4.7675 4.7675 4.9667 4.9667 5.3221 5.3221 5.7071 5.7071 9.2771 9.2771 10.1331 10.1331 10.2751 10.2751 12.7492 12.7492 13.0051 13.0051 13.3426 13.3426 14.4186 14.4186 k = 0.5086 0.3080-0.3612 ( 6885 PWs) bands (ev): -21.7023 -21.7023 -21.6469 -21.6469 -14.3900 -14.3897 -14.0644 -14.0639 -11.8311 -11.8310 -11.6938 -11.6929 -11.4923 -11.4913 -11.1934 -11.1933 -5.7527 -5.7512 -5.4079 -5.4045 -5.3086 -5.3068 -5.1749 -5.1698 -5.1247 -5.1240 -5.0853 -5.0845 -4.9533 -4.9515 -4.2344 -4.2341 -1.0060 -1.0041 -0.6726 -0.6682 -0.6020 -0.5988 1.9955 2.0011 2.1557 2.1594 2.2654 2.2666 3.2332 3.2347 3.4966 3.4971 3.9029 3.9030 4.0674 4.0679 4.3911 4.3936 4.4301 4.4326 4.5144 4.5158 4.5407 4.5422 4.7681 4.7682 4.9652 4.9678 5.3220 5.3226 5.7031 5.7074 9.2781 9.2834 10.1339 10.1383 10.2700 10.2793 12.7479 12.7501 12.9999 13.0052 13.3393 13.3405 14.4188 14.4204 k = 0.5172 0.3132-0.3456 ( 6883 PWs) bands (ev): -21.7023 -21.7023 -21.6469 -21.6469 -14.3887 -14.3881 -14.0665 -14.0657 -11.8299 -11.8296 -11.6944 -11.6927 -11.4917 -11.4897 -11.1952 -11.1950 -5.7504 -5.7475 -5.4101 -5.4033 -5.3093 -5.3058 -5.1782 -5.1681 -5.1250 -5.1236 -5.0859 -5.0843 -4.9533 -4.9497 -4.2424 -4.2418 -0.9994 -0.9957 -0.6745 -0.6656 -0.5951 -0.5889 1.9875 1.9988 2.1515 2.1587 2.2559 2.2581 3.2343 3.2372 3.5020 3.5031 3.9001 3.9004 4.0660 4.0671 4.3861 4.3906 4.4268 4.4313 4.5167 4.5197 4.5409 4.5441 4.7699 4.7701 4.9633 4.9684 5.3224 5.3235 5.6956 5.7042 9.2864 9.2972 10.1404 10.1488 10.2641 10.2831 12.7462 12.7507 12.9896 13.0005 13.3307 13.3330 14.4211 14.4243 k = 0.5258 0.3184-0.3300 ( 6883 PWs) bands (ev): -21.7023 -21.7023 -21.6470 -21.6470 -14.3865 -14.3856 -14.0699 -14.0687 -11.8277 -11.8274 -11.6952 -11.6926 -11.4904 -11.4874 -11.1980 -11.1977 -5.7461 -5.7418 -5.4129 -5.4026 -5.3100 -5.3048 -5.1821 -5.1668 -5.1253 -5.1232 -5.0866 -5.0842 -4.9526 -4.9473 -4.2555 -4.2545 -0.9877 -0.9824 -0.6766 -0.6631 -0.5821 -0.5732 1.9756 1.9927 2.1447 2.1553 2.2425 2.2453 3.2366 3.2409 3.5109 3.5124 3.8955 3.8959 4.0638 4.0654 4.3791 4.3852 4.4231 4.4289 4.5201 4.5243 4.5422 4.5468 4.7729 4.7731 4.9611 4.9685 5.3232 5.3249 5.6848 5.6974 9.3021 9.3182 10.1520 10.1634 10.2583 10.2874 12.7438 12.7507 12.9739 12.9914 13.3169 13.3202 14.4255 14.4301 k = 0.5344 0.3236-0.3145 ( 6884 PWs) bands (ev): -21.7023 -21.7023 -21.6470 -21.6470 -14.3833 -14.3821 -14.0746 -14.0729 -11.8247 -11.8242 -11.6962 -11.6927 -11.4884 -11.4844 -11.2019 -11.2015 -5.7399 -5.7342 -5.4160 -5.4022 -5.3105 -5.3037 -5.1866 -5.1661 -5.1257 -5.1228 -5.0874 -5.0842 -4.9514 -4.9443 -4.2735 -4.2721 -0.9714 -0.9646 -0.6790 -0.6609 -0.5628 -0.5515 1.9589 1.9818 2.1339 2.1476 2.2280 2.2311 3.2402 3.2457 3.5227 3.5246 3.8892 3.8897 4.0604 4.0626 4.3708 4.3779 4.4194 4.4259 4.5236 4.5287 4.5446 4.5503 4.7770 4.7773 4.9586 4.9681 5.3244 5.3267 5.6709 5.6873 9.3249 9.3463 10.1663 10.1790 10.2552 10.2948 12.7400 12.7497 12.9530 12.9786 13.2982 13.3024 14.4319 14.4378 k = 0.5429 0.3288-0.2989 ( 6878 PWs) bands (ev): -21.7022 -21.7022 -21.6470 -21.6470 -14.3792 -14.3777 -14.0805 -14.0784 -11.8208 -11.8202 -11.6973 -11.6930 -11.4856 -11.4808 -11.2069 -11.2064 -5.7318 -5.7248 -5.4198 -5.4022 -5.3109 -5.3026 -5.1915 -5.1658 -5.1260 -5.1223 -5.0883 -5.0842 -4.9494 -4.9407 -4.2960 -4.2940 -0.9505 -0.9427 -0.6818 -0.6588 -0.5372 -0.5239 1.9364 1.9647 2.1178 2.1342 2.2146 2.2200 3.2452 3.2518 3.5369 3.5389 3.8812 3.8818 4.0557 4.0586 4.3621 4.3698 4.4156 4.4223 4.5270 4.5324 4.5482 4.5543 4.7819 4.7823 4.9559 4.9672 5.3262 5.3291 5.6542 5.6741 9.3547 9.3814 10.1776 10.1909 10.2607 10.3092 12.7334 12.7473 12.9272 12.9630 13.2750 13.2798 14.4403 14.4472 k = 0.5515 0.3340-0.2833 ( 6874 PWs) bands (ev): -21.7022 -21.7022 -21.6470 -21.6470 -14.3741 -14.3724 -14.0876 -14.0851 -11.8160 -11.8153 -11.6985 -11.6933 -11.4822 -11.4765 -11.2130 -11.2124 -5.7218 -5.7134 -5.4241 -5.4028 -5.3112 -5.3016 -5.1970 -5.1661 -5.1263 -5.1217 -5.0894 -5.0843 -4.9468 -4.9364 -4.3227 -4.3200 -0.9257 -0.9170 -0.6849 -0.6567 -0.5055 -0.4904 1.9069 1.9395 2.0966 2.1155 2.2042 2.2140 3.2516 3.2592 3.5527 3.5548 3.8716 3.8722 4.0495 4.0530 4.3536 4.3617 4.4116 4.4183 4.5303 4.5356 4.5523 4.5584 4.7876 4.7880 4.9530 4.9659 5.3283 5.3320 5.6351 5.6582 9.3912 9.4233 10.1778 10.1970 10.2810 10.3346 12.7220 12.7424 12.8973 12.9460 13.2476 13.2529 14.4504 14.4582 k = 0.5601 0.3392-0.2677 ( 6874 PWs) bands (ev): -21.7022 -21.7022 -21.6470 -21.6470 -14.3682 -14.3661 -14.0958 -14.0930 -11.8104 -11.8096 -11.6999 -11.6938 -11.4782 -11.4715 -11.2201 -11.2193 -5.7100 -5.7004 -5.4292 -5.4040 -5.3113 -5.3007 -5.2030 -5.1669 -5.1266 -5.1211 -5.0905 -5.0845 -4.9435 -4.9315 -4.3531 -4.3496 -0.8974 -0.8883 -0.6880 -0.6540 -0.4680 -0.4512 1.8695 1.9046 2.0729 2.0935 2.1972 2.2118 3.2595 3.2678 3.5694 3.5715 3.8605 3.8610 4.0415 4.0457 4.3460 4.3545 4.4071 4.4137 4.5339 4.5389 4.5564 4.5623 4.7939 4.7943 4.9500 4.9640 5.3309 5.3357 5.6141 5.6400 9.4340 9.4717 10.1678 10.1965 10.3145 10.3715 12.7036 12.7325 12.8657 12.9297 13.2165 13.2222 14.4622 14.4707 k = 0.5687 0.3444-0.2521 ( 6881 PWs) bands (ev): -21.7022 -21.7022 -21.6470 -21.6470 -14.3613 -14.3590 -14.1050 -14.1019 -11.8039 -11.8031 -11.7013 -11.6944 -11.4736 -11.4661 -11.2282 -11.2273 -5.6965 -5.6857 -5.4351 -5.4059 -5.3113 -5.3000 -5.2092 -5.1683 -5.1270 -5.1205 -5.0917 -5.0847 -4.9394 -4.9258 -4.3867 -4.3821 -0.8667 -0.8572 -0.6905 -0.6500 -0.4250 -0.4066 1.8237 1.8595 2.0488 2.0705 2.1928 2.2120 3.2688 3.2778 3.5865 3.5885 3.8479 3.8484 4.0316 4.0366 4.3397 4.3484 4.4021 4.4087 4.5378 4.5426 4.5602 4.5658 4.8005 4.8009 4.9469 4.9616 5.3340 5.3402 5.5917 5.6199 9.4827 9.5262 10.1526 10.1900 10.3576 10.4179 12.6758 12.7132 12.8366 12.9156 13.1820 13.1886 14.4754 14.4843 k = 0.5773 0.3496-0.2366 ( 6877 PWs) bands (ev): -21.7021 -21.7021 -21.6471 -21.6471 -14.3536 -14.3509 -14.1153 -14.1119 -11.7967 -11.7959 -11.7029 -11.6951 -11.4684 -11.4601 -11.2372 -11.2362 -5.6815 -5.6695 -5.4419 -5.4088 -5.3112 -5.2996 -5.2156 -5.1701 -5.1273 -5.1198 -5.0930 -5.0849 -4.9345 -4.9194 -4.4231 -4.4172 -0.8351 -0.8247 -0.6915 -0.6435 -0.3769 -0.3568 1.7700 1.8051 2.0247 2.0477 2.1903 2.2137 3.2797 3.2891 3.6034 3.6052 3.8339 3.8343 4.0200 4.0257 4.3348 4.3438 4.3966 4.4032 4.5421 4.5467 4.5637 4.5692 4.8072 4.8076 4.9436 4.9586 5.3375 5.3455 5.5684 5.5984 9.5366 9.5866 10.1346 10.1793 10.4079 10.4717 12.6374 12.6793 12.8148 12.9042 13.1444 13.1533 14.4896 14.4987 k = 0.5859 0.3548-0.2210 ( 6871 PWs) bands (ev): -21.7021 -21.7021 -21.6471 -21.6471 -14.3450 -14.3420 -14.1266 -14.1229 -11.7887 -11.7879 -11.7045 -11.6959 -11.4628 -11.4537 -11.2471 -11.2460 -5.6651 -5.6521 -5.4497 -5.4128 -5.3111 -5.2996 -5.2217 -5.1725 -5.1276 -5.1192 -5.0943 -5.0852 -4.9287 -4.9121 -4.4616 -4.4542 -0.8054 -0.7932 -0.6881 -0.6323 -0.3240 -0.3021 1.7093 1.7431 2.0001 2.0250 2.1890 2.2165 3.2922 3.3019 3.6195 3.6213 3.8186 3.8190 4.0068 4.0131 4.3313 4.3405 4.3908 4.3975 4.5466 4.5510 4.5674 4.5726 4.8137 4.8142 4.9401 4.9550 5.3415 5.3516 5.5447 5.5761 9.5950 9.6523 10.1154 10.1656 10.4639 10.5314 12.5886 12.6303 12.8000 12.8946 13.1045 13.1177 14.5045 14.5137 k = 0.5945 0.3600-0.2054 ( 6876 PWs) bands (ev): -21.7021 -21.7021 -21.6471 -21.6471 -14.3355 -14.3323 -14.1387 -14.1348 -11.7801 -11.7792 -11.7062 -11.6968 -11.4567 -11.4469 -11.2579 -11.2566 -5.6474 -5.6335 -5.4587 -5.4183 -5.3109 -5.3000 -5.2273 -5.1754 -5.1280 -5.1185 -5.0955 -5.0855 -4.9220 -4.9039 -4.5017 -4.4926 -0.7807 -0.7685 -0.6745 -0.6138 -0.2667 -0.2431 1.6428 1.6751 1.9743 2.0020 2.1886 2.2200 3.3062 3.3159 3.6344 3.6362 3.8022 3.8026 3.9922 3.9991 4.3292 4.3386 4.3848 4.3915 4.5511 4.5551 4.5717 4.5766 4.8199 4.8205 4.9363 4.9508 5.3460 5.3586 5.5212 5.5535 9.6563 9.7226 10.0964 10.1497 10.5250 10.5962 12.5302 12.5695 12.7881 12.8838 13.0639 13.0840 14.5195 14.5287 k = 0.6031 0.3652-0.1898 ( 6876 PWs) bands (ev): -21.7020 -21.7020 -21.6472 -21.6472 -14.3252 -14.3217 -14.1517 -14.1475 -11.7708 -11.7698 -11.7078 -11.6976 -11.4502 -11.4397 -11.2695 -11.2681 -5.6288 -5.6142 -5.4689 -5.4256 -5.3111 -5.3008 -5.2317 -5.1788 -5.1283 -5.1178 -5.0968 -5.0858 -4.9141 -4.8948 -4.5429 -4.5318 -0.7638 -0.7554 -0.6451 -0.5859 -0.2056 -0.1799 1.5714 1.6024 1.9468 1.9779 2.1888 2.2243 3.3217 3.3314 3.6475 3.6497 3.7847 3.7853 3.9768 3.9839 4.3281 4.3378 4.3788 4.3856 4.5553 4.5588 4.5773 4.5816 4.8254 4.8263 4.9322 4.9458 5.3511 5.3662 5.4986 5.5312 9.7180 9.7965 10.0803 10.1328 10.5905 10.6651 12.4632 12.4999 12.7743 12.8678 13.0251 13.0551 14.5339 14.5431 k = 0.6117 0.3704-0.1743 ( 6870 PWs) bands (ev): -21.7020 -21.7020 -21.6472 -21.6472 -14.3141 -14.3103 -14.1654 -14.1610 -11.7611 -11.7599 -11.7093 -11.6983 -11.4433 -11.4323 -11.2819 -11.2803 -5.6095 -5.5947 -5.4802 -5.4351 -5.3121 -5.3016 -5.2347 -5.1826 -5.1287 -5.1172 -5.0980 -5.0862 -4.9051 -4.8845 -4.5845 -4.5713 -0.7576 -0.7486 -0.6029 -0.5484 -0.1410 -0.1131 1.4962 1.5259 1.9171 1.9522 2.1896 2.2290 3.3387 3.3482 3.6583 3.6615 3.7664 3.7673 3.9609 3.9680 4.3278 4.3378 4.3730 4.3798 4.5592 4.5619 4.5844 4.5879 4.8300 4.8315 4.9276 4.9402 5.3566 5.3743 5.4776 5.5098 9.7749 9.8717 10.0721 10.1169 10.6599 10.7377 12.3888 12.4231 12.7546 12.8417 12.9916 13.0344 14.5470 14.5560 k = 0.6203 0.3756-0.1587 ( 6876 PWs) bands (ev): -21.7020 -21.7020 -21.6472 -21.6472 -14.3022 -14.2982 -14.1798 -14.1752 -11.7514 -11.7496 -11.7104 -11.6986 -11.4362 -11.4246 -11.2950 -11.2932 -5.5900 -5.5760 -5.4921 -5.4471 -5.3143 -5.3017 -5.2359 -5.1867 -5.1291 -5.1166 -5.0991 -5.0866 -4.8948 -4.8729 -4.6261 -4.6105 -0.7594 -0.7442 -0.5530 -0.5030 -0.0733 -0.0431 1.4178 1.4466 1.8851 1.9242 2.1909 2.2343 3.3571 3.3661 3.6664 3.6708 3.7476 3.7488 3.9451 3.9519 4.3281 4.3383 4.3676 4.3746 4.5628 4.5650 4.5927 4.5956 4.8337 4.8359 4.9226 4.9338 5.3625 5.3822 5.4592 5.4899 9.8174 9.9413 10.0808 10.1091 10.7325 10.8134 12.3080 12.3403 12.7256 12.8031 12.9667 13.0234 14.5576 14.5666 k = 0.6203 0.3756-0.1587 ( 6876 PWs) bands (ev): -21.7020 -21.7020 -21.6472 -21.6472 -14.3022 -14.2982 -14.1798 -14.1752 -11.7514 -11.7496 -11.7104 -11.6986 -11.4362 -11.4246 -11.2950 -11.2932 -5.5900 -5.5760 -5.4921 -5.4471 -5.3143 -5.3017 -5.2359 -5.1867 -5.1291 -5.1166 -5.0991 -5.0866 -4.8948 -4.8729 -4.6261 -4.6105 -0.7594 -0.7442 -0.5530 -0.5030 -0.0733 -0.0431 1.4178 1.4466 1.8851 1.9242 2.1909 2.2343 3.3571 3.3661 3.6664 3.6708 3.7476 3.7488 3.9451 3.9519 4.3281 4.3383 4.3676 4.3746 4.5628 4.5650 4.5927 4.5956 4.8337 4.8359 4.9226 4.9338 5.3625 5.3822 5.4592 5.4899 9.8174 9.9413 10.0808 10.1091 10.7325 10.8134 12.3080 12.3403 12.7256 12.8031 12.9667 13.0234 14.5576 14.5666 k = 0.6148 0.3723-0.1415 ( 6881 PWs) bands (ev): -21.7020 -21.7020 -21.6472 -21.6472 -14.2954 -14.2916 -14.1873 -14.1830 -11.7451 -11.7431 -11.7099 -11.6989 -11.4325 -11.4215 -11.3034 -11.3014 -5.5834 -5.5710 -5.4978 -5.4525 -5.3150 -5.3004 -5.2360 -5.1888 -5.1281 -5.1151 -5.0992 -5.0867 -4.8874 -4.8660 -4.6519 -4.6341 -0.7508 -0.7330 -0.5198 -0.4750 -0.0314 -0.0016 1.3719 1.3989 1.8644 1.9036 2.1785 2.2180 3.3716 3.3793 3.6775 3.6823 3.7369 3.7378 3.9394 3.9460 4.3455 4.3553 4.3780 4.3859 4.5568 4.5585 4.5955 4.5980 4.8244 4.8270 4.9018 4.9123 5.3658 5.3847 5.4499 5.4762 9.8479 9.9755 10.0993 10.1193 10.7809 10.8587 12.2584 12.2895 12.6946 12.7629 12.9407 13.0019 14.5704 14.5808 k = 0.6093 0.3689-0.1244 ( 6887 PWs) bands (ev): -21.7020 -21.7020 -21.6472 -21.6472 -14.2891 -14.2856 -14.1944 -14.1904 -11.7387 -11.7363 -11.7083 -11.6980 -11.4295 -11.4191 -11.3121 -11.3100 -5.5781 -5.5672 -5.5031 -5.4580 -5.3160 -5.2992 -5.2361 -5.1912 -5.1274 -5.1136 -5.0994 -5.0870 -4.8813 -4.8604 -4.6766 -4.6569 -0.7363 -0.7166 -0.4854 -0.4448 0.0111 0.0405 1.3256 1.3509 1.8433 1.8824 2.1613 2.1970 3.3866 3.3932 3.6873 3.6923 3.7270 3.7278 3.9321 3.9385 4.3614 4.3702 4.3907 4.3989 4.5520 4.5533 4.5988 4.6013 4.8137 4.8165 4.8807 4.8906 5.3677 5.3856 5.4428 5.4653 9.8778 10.0034 10.1236 10.1461 10.8283 10.9033 12.2078 12.2380 12.6586 12.7199 12.9123 12.9761 14.5832 14.5955 k = 0.6039 0.3656-0.1073 ( 6890 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2833 -14.2800 -14.2010 -14.1973 -11.7320 -11.7292 -11.7057 -11.6960 -11.4271 -11.4174 -11.3211 -11.3188 -5.5739 -5.5645 -5.5078 -5.4637 -5.3172 -5.2983 -5.2363 -5.1938 -5.1271 -5.1125 -5.0997 -5.0875 -4.8766 -4.8562 -4.7003 -4.6789 -0.7158 -0.6948 -0.4502 -0.4128 0.0541 0.0830 1.2790 1.3029 1.8217 1.8606 2.1397 2.1717 3.4023 3.4078 3.6943 3.6994 3.7190 3.7207 3.9232 3.9296 4.3753 4.3826 4.4050 4.4128 4.5489 4.5502 4.6026 4.6050 4.8016 4.8046 4.8596 4.8690 5.3682 5.3850 5.4378 5.4574 9.9091 10.0279 10.1549 10.1831 10.8746 10.9471 12.1566 12.1859 12.6190 12.6752 12.8804 12.9454 14.5961 14.6105 k = 0.5984 0.3623-0.0902 ( 6898 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2779 -14.2750 -14.2071 -14.2037 -11.7251 -11.7217 -11.7020 -11.6929 -11.4254 -11.4163 -11.3304 -11.3279 -5.5707 -5.5628 -5.5120 -5.4693 -5.3184 -5.2978 -5.2366 -5.1968 -5.1271 -5.1117 -5.0999 -5.0881 -4.8733 -4.8534 -4.7227 -4.6999 -0.6893 -0.6676 -0.4143 -0.3794 0.0973 0.1257 1.2322 1.2548 1.7997 1.8382 2.1137 2.1423 3.4185 3.4228 3.6950 3.6994 3.7167 3.7202 3.9132 3.9193 4.3874 4.3931 4.4189 4.4260 4.5483 4.5497 4.6066 4.6091 4.7885 4.7913 4.8388 4.8476 5.3677 5.3833 5.4346 5.4522 9.9433 10.0528 10.1920 10.2254 10.9197 10.9900 12.1048 12.1335 12.5769 12.6292 12.8446 12.9097 14.6091 14.6257 k = 0.5929 0.3590-0.0730 ( 6896 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2731 -14.2705 -14.2127 -14.2097 -11.7180 -11.7140 -11.6974 -11.6888 -11.4244 -11.4159 -11.3399 -11.3372 -5.5683 -5.5619 -5.5156 -5.4748 -5.3195 -5.2976 -5.2372 -5.2000 -5.1274 -5.1116 -5.0999 -5.0888 -4.8715 -4.8521 -4.7438 -4.7201 -0.6571 -0.6349 -0.3777 -0.3448 0.1407 0.1684 1.1853 1.2067 1.7771 1.8151 2.0837 2.1090 3.4351 3.4385 3.6897 3.6931 3.7207 3.7248 3.9021 3.9080 4.3980 4.4024 4.4303 4.4367 4.5508 4.5525 4.6110 4.6135 4.7748 4.7771 4.8185 4.8269 5.3666 5.3809 5.4327 5.4490 9.9815 10.0811 10.2326 10.2705 10.9635 11.0320 12.0528 12.0811 12.5329 12.5824 12.8046 12.8692 14.6222 14.6411 k = 0.5875 0.3557-0.0559 ( 6901 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2689 -14.2664 -14.2179 -14.2152 -11.7105 -11.7059 -11.6919 -11.6836 -11.4242 -11.4161 -11.3497 -11.3467 -5.5665 -5.5615 -5.5188 -5.4802 -5.3205 -5.2977 -5.2379 -5.2035 -5.1280 -5.1123 -5.0998 -5.0895 -4.8709 -4.8521 -4.7636 -4.7393 -0.6195 -0.5970 -0.3405 -0.3092 0.1838 0.2111 1.1384 1.1587 1.7540 1.7913 2.0498 2.0721 3.4522 3.4547 3.6827 3.6857 3.7258 3.7301 3.8902 3.8959 4.4072 4.4106 4.4382 4.4437 4.5568 4.5588 4.6155 4.6181 4.7608 4.7625 4.7992 4.8072 5.3652 5.3783 5.4319 5.4472 10.0241 10.1140 10.2754 10.3171 11.0060 11.0731 12.0006 12.0289 12.4876 12.5350 12.7606 12.8241 14.6353 14.6566 k = 0.5820 0.3524-0.0388 ( 6915 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2651 -14.2629 -14.2227 -14.2202 -11.7027 -11.6976 -11.6857 -11.6776 -11.4248 -11.4171 -11.3597 -11.3564 -5.5653 -5.5614 -5.5215 -5.4852 -5.3215 -5.2981 -5.2390 -5.2072 -5.1289 -5.1137 -5.0994 -5.0904 -4.8716 -4.8534 -4.7819 -4.7575 -0.5768 -0.5542 -0.3029 -0.2728 0.2266 0.2533 1.0915 1.1109 1.7303 1.7668 2.0123 2.0318 3.4696 3.4713 3.6759 3.6787 3.7304 3.7347 3.8777 3.8831 4.4147 4.4174 4.4421 4.4467 4.5658 4.5682 4.6202 4.6230 4.7471 4.7480 4.7812 4.7889 5.3640 5.3758 5.4320 5.4464 10.0714 10.1520 10.3192 10.3645 11.0471 11.1131 11.9485 11.9770 12.4415 12.4874 12.7128 12.7748 14.6486 14.6721 k = 0.5765 0.3491-0.0217 ( 6916 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2617 -14.2598 -14.2269 -14.2247 -11.6945 -11.6889 -11.6788 -11.6707 -11.4262 -11.4189 -11.3699 -11.3663 -5.5647 -5.5614 -5.5239 -5.4900 -5.3223 -5.2987 -5.2404 -5.2112 -5.1301 -5.1158 -5.0988 -5.0912 -4.8734 -4.8559 -4.7987 -4.7748 -0.5293 -0.5067 -0.2648 -0.2356 0.2687 0.2950 1.0448 1.0634 1.7061 1.7417 1.9716 1.9886 3.4870 3.4885 3.6698 3.6726 3.7341 3.7383 3.8648 3.8699 4.4199 4.4226 4.4426 4.4462 4.5769 4.5798 4.6251 4.6281 4.7335 4.7350 4.7649 4.7723 5.3630 5.3737 5.4328 5.4461 10.1230 10.1952 10.3636 10.4122 11.0868 11.1520 11.8966 11.9257 12.3948 12.4397 12.6617 12.7218 14.6619 14.6876 k = 0.5711 0.3458-0.0045 ( 6918 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2589 -14.2572 -14.2308 -14.2288 -11.6859 -11.6799 -11.6712 -11.6632 -11.4284 -11.4213 -11.3803 -11.3763 -5.5646 -5.5610 -5.5260 -5.4945 -5.3230 -5.2995 -5.2420 -5.2154 -5.1316 -5.1185 -5.0983 -5.0920 -4.8760 -4.8593 -4.8138 -4.7910 -0.4775 -0.4551 -0.2264 -0.1978 0.3098 0.3358 0.9983 1.0163 1.6813 1.7160 1.9279 1.9429 3.5045 3.5060 3.6645 3.6673 3.7367 3.7408 3.8517 3.8564 4.4221 4.4254 4.4407 4.4430 4.5890 4.5924 4.6302 4.6335 4.7209 4.7237 4.7505 4.7577 5.3624 5.3720 5.4339 5.4463 10.1785 10.2433 10.4082 10.4600 11.1250 11.1898 11.8450 11.8751 12.3479 12.3921 12.6078 12.6656 14.6754 14.7032 k = 0.5656 0.3425 0.0126 ( 6922 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2564 -14.2551 -14.2342 -14.2325 -11.6769 -11.6706 -11.6631 -11.6551 -11.4315 -11.4245 -11.3908 -11.3863 -5.5647 -5.5605 -5.5280 -5.4987 -5.3235 -5.3003 -5.2441 -5.2198 -5.1332 -5.1217 -5.0978 -5.0929 -4.8794 -4.8637 -4.8272 -4.8061 -0.4220 -0.3997 -0.1877 -0.1594 0.3494 0.3754 0.9520 0.9697 1.6561 1.6896 1.8815 1.8952 3.5218 3.5238 3.6602 3.6631 3.7384 3.7424 3.8386 3.8428 4.4204 4.4251 4.4368 4.4394 4.6009 4.6050 4.6354 4.6390 4.7102 4.7143 4.7384 4.7454 5.3622 5.3708 5.4354 5.4467 10.2372 10.2960 10.4527 10.5076 11.1615 11.2264 11.7939 11.8256 12.3009 12.3447 12.5517 12.6068 14.6892 14.7186 k = 0.5601 0.3392 0.0297 ( 6928 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2544 -14.2533 -14.2371 -14.2357 -11.6676 -11.6612 -11.6543 -11.6464 -11.4354 -11.4284 -11.4013 -11.3965 -5.5649 -5.5598 -5.5299 -5.5026 -5.3238 -5.3011 -5.2465 -5.2245 -5.1351 -5.1253 -5.0975 -5.0936 -4.8834 -4.8686 -4.8388 -4.8201 -0.3634 -0.3411 -0.1489 -0.1205 0.3873 0.4134 0.9061 0.9237 1.6303 1.6628 1.8331 1.8462 3.5392 3.5416 3.6569 3.6600 3.7393 3.7432 3.8254 3.8293 4.4142 4.4209 4.4314 4.4366 4.6120 4.6167 4.6407 4.6447 4.7019 4.7070 4.7288 4.7356 5.3623 5.3700 5.4371 5.4474 10.2985 10.3526 10.4968 10.5550 11.1963 11.2617 11.7435 11.7774 12.2540 12.2977 12.4940 12.5461 14.7032 14.7340 k = 0.5547 0.3358 0.0468 ( 6932 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2528 -14.2519 -14.2397 -14.2385 -11.6579 -11.6517 -11.6449 -11.6374 -11.4402 -11.4330 -11.4119 -11.4065 -5.5648 -5.5590 -5.5318 -5.5062 -5.3239 -5.3019 -5.2493 -5.2292 -5.1372 -5.1290 -5.0972 -5.0944 -4.8878 -4.8739 -4.8488 -4.8329 -0.3023 -0.2800 -0.1099 -0.0813 0.4227 0.4493 0.8607 0.8784 1.6041 1.6357 1.7831 1.7967 3.5564 3.5592 3.6547 3.6579 3.7394 3.7432 3.8125 3.8158 4.4049 4.4127 4.4259 4.4330 4.6217 4.6272 4.6459 4.6505 4.6963 4.7020 4.7219 4.7283 5.3627 5.3696 5.4390 5.4483 10.3613 10.4128 10.5404 10.6021 11.2291 11.2956 11.6939 11.7308 12.2074 12.2510 12.4357 12.4842 14.7175 14.7493 k = 0.5492 0.3325 0.0640 ( 6937 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2516 -14.2508 -14.2418 -14.2408 -11.6480 -11.6423 -11.6349 -11.6279 -11.4458 -11.4385 -11.4223 -11.4165 -5.5646 -5.5579 -5.5337 -5.5096 -5.3238 -5.3025 -5.2525 -5.2341 -5.1393 -5.1328 -5.0972 -5.0951 -4.8924 -4.8792 -4.8575 -4.8445 -0.2395 -0.2169 -0.0711 -0.0418 0.4551 0.4826 0.8158 0.8342 1.5776 1.6084 1.7326 1.7474 3.5733 3.5765 3.6535 3.6569 3.7389 3.7425 3.7998 3.8027 4.3939 4.4019 4.4198 4.4277 4.6298 4.6359 4.6511 4.6561 4.6935 4.6991 4.7176 4.7232 5.3633 5.3695 5.4410 5.4493 10.4245 10.4758 10.5832 10.6486 11.2597 11.3279 11.6455 11.6863 12.1613 12.2047 12.3776 12.4221 14.7322 14.7642 k = 0.5437 0.3292 0.0811 ( 6936 PWs) bands (ev): -21.7021 -21.7021 -21.6475 -21.6475 -14.2506 -14.2501 -14.2436 -14.2428 -11.6380 -11.6331 -11.6243 -11.6182 -11.4522 -11.4451 -11.4322 -11.4264 -5.5641 -5.5566 -5.5357 -5.5128 -5.3234 -5.3029 -5.2560 -5.2390 -5.1415 -5.1366 -5.0972 -5.0958 -4.8970 -4.8840 -4.8652 -4.8549 -0.1759 -0.1526 -0.0324 -0.0022 0.4837 0.5125 0.7717 0.7913 1.5510 1.5812 1.6825 1.6993 3.5897 3.5932 3.6534 3.6570 3.7378 3.7413 3.7875 3.7899 4.3819 4.3899 4.4127 4.4208 4.6364 4.6428 4.6560 4.6612 4.6930 4.6983 4.7156 4.7201 5.3641 5.3695 5.4431 5.4503 10.4872 10.5407 10.6250 10.6944 11.2878 11.3583 11.5986 11.6443 12.1159 12.1589 12.3208 12.3608 14.7471 14.7785 k = 0.5383 0.3259 0.0982 ( 6939 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2500 -14.2497 -14.2450 -14.2444 -11.6281 -11.6240 -11.6133 -11.6082 -11.4595 -11.4530 -11.4413 -11.4359 -5.5633 -5.5551 -5.5376 -5.5159 -5.3227 -5.3031 -5.2598 -5.2439 -5.1437 -5.1401 -5.0974 -5.0965 -4.9013 -4.8883 -4.8723 -4.8638 -0.1127 -0.0881 0.0059 0.0374 0.5077 0.5383 0.7286 0.7500 1.5244 1.5545 1.6342 1.6535 3.6056 3.6093 3.6543 3.6580 3.7363 3.7397 3.7755 3.7776 4.3698 4.3774 4.4049 4.4128 4.6418 4.6480 4.6606 4.6654 4.6942 4.6992 4.7155 4.7188 5.3650 5.3697 5.4451 5.4514 10.5480 10.6061 10.6655 10.7394 11.3126 11.3861 11.5537 11.6055 12.0715 12.1136 12.2666 12.3016 14.7622 14.7919 k = 0.5328 0.3226 0.1153 ( 6933 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2497 -14.2495 -14.2460 -14.2456 -11.6183 -11.6153 -11.6019 -11.5979 -11.4675 -11.4622 -11.4493 -11.4450 -5.5623 -5.5533 -5.5396 -5.5189 -5.3216 -5.3031 -5.2638 -5.2487 -5.1458 -5.1434 -5.0977 -5.0971 -4.9051 -4.8920 -4.8789 -4.8712 -0.0512 -0.0245 0.0434 0.0767 0.5262 0.5589 0.6870 0.7110 1.4984 1.5287 1.5891 1.6110 3.6207 3.6244 3.6562 3.6600 3.7343 3.7375 3.7641 3.7658 4.3581 4.3651 4.3969 4.4042 4.6462 4.6519 4.6650 4.6688 4.6963 4.7011 4.7167 4.7189 5.3659 5.3700 5.4471 5.4525 10.6058 10.6703 10.7045 10.7833 11.3336 11.4103 11.5122 11.5707 12.0287 12.0691 12.2163 12.2460 14.7771 14.8043 k = 0.5273 0.3193 0.1325 ( 6922 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2496 -14.2495 -14.2467 -14.2464 -11.6090 -11.6069 -11.5904 -11.5875 -11.4761 -11.4724 -11.4565 -11.4536 -5.5610 -5.5512 -5.5417 -5.5219 -5.3203 -5.3029 -5.2676 -5.2534 -5.1477 -5.1463 -5.0980 -5.0977 -4.9082 -4.8952 -4.8849 -4.8773 0.0068 0.0365 0.0801 0.1154 0.5383 0.5734 0.6478 0.6751 1.4739 1.5042 1.5490 1.5728 3.6347 3.6385 3.6589 3.6629 3.7319 3.7349 3.7533 3.7549 4.3474 4.3535 4.3891 4.3956 4.6499 4.6549 4.6690 4.6716 4.6989 4.7031 4.7187 4.7199 5.3669 5.3703 5.4490 5.4534 10.6592 10.7284 10.7443 10.8253 11.3498 11.4263 11.4786 11.5411 11.9887 12.0260 12.1711 12.1954 14.7914 14.8152 k = 0.5219 0.3160 0.1496 ( 6924 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2498 -14.2497 -14.2471 -14.2470 -11.6005 -11.5992 -11.5789 -11.5769 -11.4853 -11.4829 -11.4631 -11.4614 -5.5595 -5.5488 -5.5437 -5.5249 -5.3185 -5.3029 -5.2711 -5.2580 -5.1494 -5.1486 -5.0983 -5.0981 -4.9104 -4.8983 -4.8898 -4.8823 0.0595 0.0916 0.1164 0.1528 0.5434 0.5791 0.6140 0.6434 1.4521 1.4811 1.5156 1.5396 3.6473 3.6511 3.6624 3.6666 3.7290 3.7319 3.7432 3.7449 4.3380 4.3432 4.3822 4.3876 4.6529 4.6571 4.6723 4.6738 4.7014 4.7049 4.7210 4.7216 5.3679 5.3706 5.4506 5.4542 10.7068 10.7669 10.7951 10.8644 11.3603 11.4182 11.4693 11.5176 11.9529 11.9853 12.1324 12.1514 14.8047 14.8249 k = 0.5164 0.3127 0.1667 ( 6920 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2500 -14.2499 -14.2474 -14.2473 -11.5931 -11.5924 -11.5676 -11.5665 -11.4948 -11.4935 -11.4690 -11.4682 -5.5579 -5.5464 -5.5455 -5.5279 -5.3164 -5.3032 -5.2735 -5.2624 -5.1508 -5.1505 -5.0986 -5.0985 -4.9117 -4.9015 -4.8930 -4.8863 0.1044 0.1334 0.1558 0.1875 0.5415 0.5663 0.5971 0.6176 1.4347 1.4599 1.4905 1.5120 3.6581 3.6618 3.6667 3.6708 3.7256 3.7282 3.7345 3.7364 4.3305 4.3345 4.3765 4.3807 4.6553 4.6586 4.6749 4.6756 4.7037 4.7064 4.7231 4.7233 5.3687 5.3707 5.4521 5.4547 10.7473 10.7933 10.8453 10.8984 11.3645 11.3940 11.4771 11.5012 11.9232 11.9492 12.1012 12.1151 14.8165 14.8329 k = 0.5109 0.3094 0.1838 ( 6910 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2502 -14.2501 -14.2475 -14.2475 -11.5872 -11.5869 -11.5569 -11.5564 -11.5042 -11.5037 -11.4737 -11.4735 -5.5561 -5.5480 -5.5433 -5.5310 -5.3139 -5.3042 -5.2747 -5.2664 -5.1519 -5.1518 -5.0988 -5.0988 -4.9121 -4.9048 -4.8944 -4.8896 0.1398 0.1600 0.1948 0.2166 0.5343 0.5433 0.5921 0.5993 1.4229 1.4415 1.4744 1.4905 3.6666 3.6685 3.6728 3.6752 3.7219 3.7234 3.7285 3.7296 4.3251 4.3278 4.3724 4.3753 4.6573 4.6595 4.6768 4.6770 4.7055 4.7073 4.7248 4.7248 5.3695 5.3708 5.4533 5.4550 10.7797 10.8111 10.8872 10.9240 11.3634 11.3733 11.4840 11.4918 11.9018 11.9198 12.0785 12.0876 14.8264 14.8382 k = 0.5055 0.3061 0.2010 ( 6892 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2503 -14.2503 -14.2476 -14.2476 -11.5835 -11.5833 -11.5477 -11.5476 -11.5126 -11.5125 -11.4769 -11.4769 -5.5542 -5.5501 -5.5403 -5.5341 -5.3112 -5.3061 -5.2743 -5.2699 -5.1526 -5.1526 -5.0990 -5.0990 -4.9115 -4.9078 -4.8946 -4.8921 0.1642 0.1745 0.2240 0.2353 0.5256 0.5269 0.5879 0.5889 1.4178 1.4276 1.4669 1.4754 3.6718 3.6721 3.6786 3.6791 3.7184 3.7187 3.7252 3.7255 4.3221 4.3234 4.3701 4.3716 4.6586 4.6598 4.6779 4.6779 4.7068 4.7077 4.7258 4.7258 5.3701 5.3707 5.4542 5.4551 10.8030 10.8190 10.9181 10.9373 11.3596 11.3609 11.4870 11.4880 11.8901 11.8993 12.0653 12.0698 14.8341 14.8404 k = 0.5000 0.3028 0.2181 ( 6896 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2503 -14.2503 -14.2476 -14.2476 -11.5821 -11.5821 -11.5434 -11.5434 -11.5167 -11.5167 -11.4781 -11.4781 -5.5522 -5.5522 -5.5372 -5.5372 -5.3085 -5.3085 -5.2726 -5.2726 -5.1528 -5.1528 -5.0990 -5.0990 -4.9100 -4.9100 -4.8938 -4.8938 0.1760 0.1760 0.2383 0.2383 0.5215 0.5215 0.5858 0.5858 1.4195 1.4195 1.4674 1.4674 3.6735 3.6735 3.6808 3.6808 3.7169 3.7169 3.7241 3.7241 4.3215 4.3215 4.3699 4.3699 4.6595 4.6595 4.6783 4.6783 4.7076 4.7076 4.7262 4.7262 5.3705 5.3705 5.4548 5.4548 10.8163 10.8163 10.9354 10.9354 11.3572 11.3572 11.4875 11.4875 11.8893 11.8893 12.0623 12.0623 14.8389 14.8389 k = 0.5000-0.2615-0.1884 ( 6874 PWs) bands (ev): -21.7026 -21.7026 -21.6480 -21.6480 -14.2635 -14.2635 -14.2512 -14.2512 -11.5756 -11.5756 -11.5349 -11.5349 -11.4907 -11.4907 -11.4574 -11.4574 -5.5811 -5.5811 -5.5509 -5.5509 -5.3394 -5.3394 -5.2798 -5.2798 -5.1547 -5.1547 -5.1074 -5.1074 -4.9284 -4.9284 -4.8827 -4.8827 0.0012 0.0012 0.1937 0.1937 0.4918 0.4918 0.5137 0.5137 1.6535 1.6535 1.9187 1.9187 3.3762 3.3762 3.3966 3.3966 3.6982 3.6982 3.7061 3.7061 3.9997 3.9997 4.0356 4.0356 4.8152 4.8152 4.8601 4.8601 5.0680 5.0680 5.1055 5.1055 5.4269 5.4269 5.4909 5.4909 10.4732 10.4732 10.9984 10.9984 11.1852 11.1852 11.3589 11.3589 12.2851 12.2851 12.5177 12.5177 14.4545 14.4547 k = 0.5100-0.2489-0.1793 ( 6862 PWs) bands (ev): -21.7026 -21.7026 -21.6480 -21.6480 -14.2641 -14.2628 -14.2518 -14.2505 -11.5803 -11.5732 -11.5444 -11.5264 -11.4971 -11.4842 -11.4597 -11.4528 -5.5853 -5.5808 -5.5493 -5.5473 -5.3424 -5.3360 -5.2838 -5.2754 -5.1558 -5.1536 -5.1085 -5.1064 -4.9293 -4.9274 -4.8838 -4.8802 -0.0213 0.0165 0.1522 0.2300 0.4692 0.4761 0.5240 0.5438 1.6375 1.6745 1.8944 1.9460 3.3682 3.3736 3.3992 3.4047 3.6951 3.6981 3.7078 3.7095 3.9943 4.0050 4.0317 4.0429 4.8129 4.8142 4.8599 4.8622 5.0650 5.0666 5.1057 5.1066 5.4241 5.4294 5.4881 5.4936 10.4425 10.4997 10.9530 11.0374 11.1503 11.2202 11.3289 11.3896 12.2702 12.3055 12.5024 12.5382 14.4520 14.4548 k = 0.5200-0.2363-0.1702 ( 6861 PWs) bands (ev): -21.7026 -21.7026 -21.6480 -21.6480 -14.2645 -14.2621 -14.2522 -14.2497 -11.5868 -11.5736 -11.5541 -11.5220 -11.5002 -11.4782 -11.4589 -11.4466 -5.5914 -5.5839 -5.5430 -5.5408 -5.3451 -5.3324 -5.2872 -5.2706 -5.1570 -5.1525 -5.1095 -5.1054 -4.9300 -4.9262 -4.8833 -4.8763 -0.0503 0.0240 0.1072 0.2576 0.4385 0.4569 0.5510 0.5749 1.6265 1.7006 1.8732 1.9759 3.3580 3.3644 3.4088 3.4153 3.6918 3.6960 3.7132 3.7148 3.9901 4.0079 4.0331 4.0520 4.8079 4.8100 4.8613 4.8656 5.0582 5.0613 5.1065 5.1080 5.4211 5.4315 5.4851 5.4960 10.4081 10.5217 10.9045 11.0549 11.1303 11.2514 11.3017 11.4209 12.2611 12.3303 12.4929 12.5632 14.4479 14.4533 k = 0.5301-0.2237-0.1611 ( 6861 PWs) bands (ev): -21.7026 -21.7026 -21.6479 -21.6479 -14.2647 -14.2612 -14.2525 -14.2489 -11.5946 -11.5773 -11.5632 -11.5257 -11.4961 -11.4728 -11.4551 -11.4397 -5.5977 -5.5883 -5.5346 -5.5331 -5.3474 -5.3287 -5.2899 -5.2655 -5.1581 -5.1515 -5.1105 -5.1044 -4.9305 -4.9249 -4.8812 -4.8712 -0.0851 0.0238 0.0593 0.2690 0.4164 0.4414 0.5810 0.6035 1.6199 1.7314 1.8554 2.0080 3.3485 3.3550 3.4190 3.4256 3.6890 3.6941 3.7199 3.7212 3.9880 4.0085 4.0399 4.0624 4.8011 4.8036 4.8633 4.8692 5.0491 5.0532 5.1071 5.1087 5.4180 5.4332 5.4821 5.4980 10.3706 10.5386 10.8538 11.0295 11.1456 11.2586 11.2983 11.4525 12.2580 12.3580 12.4903 12.5923 14.4430 14.4509 k = 0.5401-0.2110-0.1520 ( 6859 PWs) bands (ev): -21.7026 -21.7026 -21.6479 -21.6479 -14.2647 -14.2604 -14.2526 -14.2482 -11.6033 -11.5841 -11.5714 -11.5340 -11.4881 -11.4672 -11.4493 -11.4326 -5.6035 -5.5925 -5.5258 -5.5242 -5.3493 -5.3254 -5.2914 -5.2602 -5.1593 -5.1506 -5.1115 -5.1034 -4.9306 -4.9232 -4.8776 -4.8651 -0.1246 0.0073 0.0180 0.2565 0.4113 0.4293 0.6131 0.6300 1.6173 1.7662 1.8410 2.0417 3.3406 3.3471 3.4283 3.4348 3.6867 3.6928 3.7276 3.7286 3.9884 4.0094 4.0498 4.0736 4.7930 4.7957 4.8650 4.8722 5.0385 5.0436 5.1064 5.1079 5.4150 5.4343 5.4792 5.4996 10.3305 10.5500 10.8014 10.9855 11.1709 11.2347 11.3278 11.4848 12.2606 12.3862 12.4960 12.6246 14.4383 14.4483 k = 0.5501-0.1984-0.1429 ( 6865 PWs) bands (ev): -21.7026 -21.7026 -21.6479 -21.6479 -14.2643 -14.2596 -14.2525 -14.2475 -11.6125 -11.5930 -11.5793 -11.5439 -11.4792 -11.4609 -11.4426 -11.4255 -5.6085 -5.5960 -5.5178 -5.5146 -5.3508 -5.3229 -5.2912 -5.2548 -5.1603 -5.1497 -5.1123 -5.1025 -4.9304 -4.9211 -4.8726 -4.8581 -0.1679 -0.0445 0.0036 0.2250 0.4110 0.4267 0.6470 0.6555 1.6182 1.8024 1.8316 2.0762 3.3349 3.3414 3.4362 3.4425 3.6848 3.6919 3.7359 3.7367 3.9917 4.0121 4.0611 4.0853 4.7841 4.7868 4.8653 4.8739 5.0273 5.0335 5.1041 5.1054 5.4121 5.4347 5.4765 5.5006 10.2883 10.5556 10.7474 10.9366 11.1915 11.2085 11.3639 11.5178 12.2686 12.4117 12.5121 12.6595 14.4341 14.4460 k = 0.5601-0.1858-0.1339 ( 6869 PWs) bands (ev): -21.7026 -21.7026 -21.6479 -21.6479 -14.2637 -14.2588 -14.2520 -14.2469 -11.6222 -11.6029 -11.5874 -11.5545 -11.4704 -11.4539 -11.4354 -11.4186 -5.6124 -5.5985 -5.5104 -5.5049 -5.3519 -5.3215 -5.2891 -5.2492 -5.1612 -5.1489 -5.1131 -5.1017 -4.9298 -4.9184 -4.8663 -4.8503 -0.2142 -0.0989 -0.0151 0.1847 0.4019 0.4355 0.6801 0.6839 1.6220 1.8156 1.8507 2.1109 3.3320 3.3387 3.4425 3.4486 3.6831 3.6911 3.7448 3.7455 3.9981 4.0175 4.0731 4.0974 4.7746 4.7773 4.8637 4.8734 5.0164 5.0236 5.1000 5.1010 5.4094 5.4346 5.4739 5.5010 10.2446 10.5548 10.6925 10.8860 11.1814 11.2066 11.4040 11.5518 12.2813 12.4329 12.5388 12.6962 14.4309 14.4443 k = 0.5702-0.1732-0.1248 ( 6879 PWs) bands (ev): -21.7025 -21.7025 -21.6479 -21.6478 -14.2628 -14.2582 -14.2513 -14.2465 -11.6320 -11.6132 -11.5959 -11.5654 -11.4618 -11.4465 -11.4280 -11.4120 -5.6152 -5.5999 -5.5038 -5.4956 -5.3525 -5.3213 -5.2850 -5.2435 -5.1619 -5.1480 -5.1137 -5.1009 -4.9287 -4.9151 -4.8590 -4.8419 -0.2627 -0.1547 -0.0377 0.1411 0.3905 0.4424 0.7084 0.7202 1.6284 1.8110 1.8916 2.1448 3.3323 3.3394 3.4470 3.4530 3.6816 3.6905 3.7543 3.7549 4.0078 4.0257 4.0856 4.1097 4.7647 4.7672 4.8594 4.8701 5.0067 5.0147 5.0939 5.0946 5.4069 5.4337 5.4716 5.5008 10.1998 10.5465 10.6380 10.8349 11.1569 11.2132 11.4477 11.5869 12.2983 12.4511 12.5735 12.7340 14.4290 14.4434 k = 0.5802-0.1606-0.1157 ( 6882 PWs) bands (ev): -21.7025 -21.7025 -21.6478 -21.6478 -14.2615 -14.2578 -14.2503 -14.2462 -11.6419 -11.6237 -11.6047 -11.5764 -11.4539 -11.4388 -11.4204 -11.4058 -5.6169 -5.6000 -5.4982 -5.4871 -5.3527 -5.3217 -5.2795 -5.2380 -5.1624 -5.1471 -5.1141 -5.1000 -4.9271 -4.9113 -4.8508 -4.8327 -0.3124 -0.2115 -0.0633 0.0967 0.3776 0.4434 0.7390 0.7583 1.6369 1.8075 1.9340 2.1771 3.3362 3.3439 3.4497 3.4558 3.6803 3.6898 3.7641 3.7648 4.0206 4.0368 4.0984 4.1221 4.7544 4.7568 4.8520 4.8633 4.9989 5.0073 5.0860 5.0863 5.4048 5.4323 5.4695 5.5000 10.1547 10.5275 10.5880 10.7841 11.1335 11.2140 11.4940 11.6233 12.3188 12.4687 12.6126 12.7720 14.4285 14.4436 k = 0.5902-0.1480-0.1066 ( 6872 PWs) bands (ev): -21.7025 -21.7025 -21.6478 -21.6478 -14.2598 -14.2575 -14.2488 -14.2463 -11.6518 -11.6341 -11.6138 -11.5873 -11.4467 -11.4310 -11.4128 -11.3999 -5.6173 -5.5988 -5.4936 -5.4795 -5.3525 -5.3224 -5.2732 -5.2325 -5.1625 -5.1461 -5.1144 -5.0992 -4.9249 -4.9068 -4.8417 -4.8230 -0.3626 -0.2684 -0.0911 0.0525 0.3629 0.4379 0.7725 0.7975 1.6472 1.8059 1.9757 2.2071 3.3439 3.3525 3.4507 3.4569 3.6791 3.6891 3.7743 3.7751 4.0363 4.0506 4.1113 4.1346 4.7439 4.7461 4.8414 4.8527 4.9934 5.0017 5.0760 5.0765 5.4029 5.4302 5.4677 5.4985 10.1098 10.4907 10.5503 10.7339 11.1113 11.2097 11.5425 11.6611 12.3423 12.4870 12.6536 12.8098 14.4297 14.4450 k = 0.6002-0.1354-0.0975 ( 6879 PWs) bands (ev): -21.7024 -21.7024 -21.6477 -21.6477 -14.2578 -14.2575 -14.2471 -14.2466 -11.6614 -11.6443 -11.6229 -11.5982 -11.4403 -11.4236 -11.4050 -11.3941 -5.6165 -5.5964 -5.4902 -5.4731 -5.3518 -5.3230 -5.2666 -5.2273 -5.1621 -5.1450 -5.1145 -5.0984 -4.9222 -4.9019 -4.8318 -4.8127 -0.4125 -0.3248 -0.1206 0.0090 0.3461 0.4262 0.8086 0.8377 1.6589 1.8063 2.0157 2.2340 3.3556 3.3653 3.4501 3.4567 3.6782 3.6885 3.7847 3.7856 4.0545 4.0669 4.1243 4.1470 4.7331 4.7352 4.8276 4.8386 4.9900 4.9978 5.0642 5.0653 5.4013 5.4275 5.4661 5.4962 10.0658 10.4399 10.5224 10.6844 11.0900 11.2011 11.5923 11.7003 12.3681 12.5065 12.6946 12.8464 14.4325 14.4477 k = 0.6102-0.1227-0.0884 ( 6869 PWs) bands (ev): -21.7024 -21.7024 -21.6477 -21.6477 -14.2578 -14.2552 -14.2472 -14.2449 -11.6708 -11.6544 -11.6319 -11.6088 -11.4349 -11.4167 -11.3971 -11.3883 -5.6145 -5.5928 -5.4879 -5.4681 -5.3507 -5.3233 -5.2600 -5.2224 -5.1612 -5.1437 -5.1145 -5.0976 -4.9190 -4.8966 -4.8213 -4.8019 -0.4614 -0.3801 -0.1511 -0.0336 0.3270 0.4090 0.8470 0.8788 1.6718 1.8083 2.0530 2.2574 3.3711 3.3821 3.4483 3.4551 3.6777 3.6880 3.7954 3.7964 4.0748 4.0852 4.1373 4.1595 4.7222 4.7242 4.8111 4.8215 4.9883 4.9952 5.0509 5.0527 5.4000 5.4243 5.4647 5.4933 10.0234 10.3850 10.4956 10.6356 11.0693 11.1890 11.6432 11.7409 12.3957 12.5272 12.7347 12.8814 14.4370 14.4517 k = 0.6203-0.1101-0.0793 ( 6871 PWs) bands (ev): -21.7023 -21.7023 -21.6477 -21.6477 -14.2584 -14.2523 -14.2482 -14.2423 -11.6799 -11.6642 -11.6410 -11.6192 -11.4303 -11.4109 -11.3891 -11.3822 -5.6113 -5.5879 -5.4869 -5.4646 -5.3493 -5.3232 -5.2539 -5.2179 -5.1598 -5.1421 -5.1143 -5.0968 -4.9154 -4.8911 -4.8101 -4.7906 -0.5087 -0.4335 -0.1823 -0.0752 0.3058 0.3871 0.8871 0.9205 1.6857 1.8119 2.0870 2.2769 3.3902 3.4022 3.4456 3.4527 3.6779 3.6879 3.8063 3.8073 4.0968 4.1053 4.1505 4.1719 4.7111 4.7130 4.7926 4.8022 4.9875 4.9933 5.0364 5.0391 5.3990 5.4207 5.4635 5.4897 9.9832 10.3301 10.4672 10.5874 11.0488 11.1737 11.6949 11.7828 12.4246 12.5491 12.7728 12.9142 14.4432 14.4571 k = 0.6303-0.0975-0.0702 ( 6871 PWs) bands (ev): -21.7023 -21.7023 -21.6476 -21.6476 -14.2594 -14.2497 -14.2488 -14.2392 -11.6885 -11.6736 -11.6498 -11.6292 -11.4267 -11.4063 -11.3811 -11.3756 -5.6071 -5.5820 -5.4870 -5.4627 -5.3476 -5.3225 -5.2484 -5.2140 -5.1578 -5.1402 -5.1139 -5.0960 -4.9114 -4.8855 -4.7983 -4.7788 -0.5536 -0.4844 -0.2140 -0.1159 0.2824 0.3613 0.9287 0.9629 1.7004 1.8168 2.1171 2.2924 3.4115 3.4233 3.4441 3.4505 3.6788 3.6884 3.8172 3.8182 4.1198 4.1266 4.1638 4.1845 4.7000 4.7018 4.7726 4.7813 4.9866 4.9914 5.0212 5.0250 5.3981 5.4167 5.4623 5.4856 9.9458 10.2772 10.4366 10.5397 11.0282 11.1557 11.7472 11.8259 12.4544 12.5718 12.8086 12.9444 14.4510 14.4638 k = 0.6403-0.0849-0.0612 ( 6874 PWs) bands (ev): -21.7023 -21.7023 -21.6476 -21.6476 -14.2608 -14.2514 -14.2450 -14.2358 -11.6966 -11.6826 -11.6585 -11.6389 -11.4239 -11.4031 -11.3729 -11.3684 -5.6017 -5.5752 -5.4882 -5.4626 -5.3455 -5.3213 -5.2439 -5.2105 -5.1554 -5.1380 -5.1133 -5.0951 -4.9072 -4.8800 -4.7859 -4.7666 -0.5955 -0.5322 -0.2460 -0.1556 0.2569 0.3323 0.9712 1.0058 1.7157 1.8229 2.1432 2.3039 3.4268 3.4336 3.4508 3.4604 3.6805 3.6895 3.8282 3.8291 4.1433 4.1488 4.1776 4.1972 4.6888 4.6905 4.7517 4.7595 4.9839 4.9883 5.0064 5.0117 5.3973 5.4126 5.4612 5.4811 9.9119 10.2272 10.4039 10.4924 11.0072 11.1351 11.7997 11.8701 12.4845 12.5952 12.8414 12.9715 14.4603 14.4716 k = 0.6503-0.0723-0.0521 ( 6883 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2626 -14.2537 -14.2407 -14.2318 -11.7041 -11.6912 -11.6668 -11.6481 -11.4220 -11.4012 -11.3647 -11.3609 -5.5955 -5.5678 -5.4902 -5.4640 -5.3431 -5.3197 -5.2403 -5.2075 -5.1526 -5.1355 -5.1125 -5.0941 -4.9030 -4.8747 -4.7730 -4.7538 -0.6340 -0.5762 -0.2781 -0.1944 0.2294 0.3005 1.0146 1.0491 1.7316 1.8301 2.1651 2.3114 3.4243 3.4330 3.4723 3.4866 3.6832 3.6915 3.8393 3.8400 4.1665 4.1716 4.1922 4.2103 4.6776 4.6791 4.7302 4.7372 4.9761 4.9803 4.9963 5.0019 5.3963 5.4087 5.4597 5.4767 9.8821 10.1809 10.3696 10.4455 10.9855 11.1122 11.8525 11.9153 12.5147 12.6188 12.8709 12.9951 14.4707 14.4805 k = 0.6603-0.0597-0.0430 ( 6889 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2649 -14.2565 -14.2359 -14.2274 -11.7111 -11.6993 -11.6748 -11.6569 -11.4208 -11.4005 -11.3565 -11.3531 -5.5885 -5.5602 -5.4929 -5.4668 -5.3405 -5.3177 -5.2377 -5.2049 -5.1496 -5.1328 -5.1115 -5.0932 -4.8990 -4.8700 -4.7595 -4.7406 -0.6685 -0.6160 -0.3102 -0.2324 0.2003 0.2666 1.0586 1.0928 1.7479 1.8382 2.1827 2.3153 3.4182 3.4276 3.5004 3.5155 3.6869 3.6944 3.8503 3.8509 4.1881 4.1944 4.2085 4.2242 4.6663 4.6677 4.7088 4.7149 4.9624 4.9656 4.9924 4.9960 5.3944 5.4057 5.4575 5.4731 9.8569 10.1390 10.3339 10.3990 10.9628 11.0871 11.9052 11.9613 12.5445 12.6426 12.8969 13.0150 14.4821 14.4903 k = 0.6704-0.0471-0.0339 ( 6885 PWs) bands (ev): -21.7022 -21.7022 -21.6475 -21.6475 -14.2677 -14.2598 -14.2306 -14.2226 -11.7174 -11.7069 -11.6824 -11.6651 -11.4205 -11.4008 -11.3483 -11.3453 -5.5809 -5.5530 -5.4957 -5.4709 -5.3377 -5.3155 -5.2359 -5.2025 -5.1466 -5.1301 -5.1103 -5.0922 -4.8953 -4.8661 -4.7454 -4.7268 -0.6986 -0.6512 -0.3421 -0.2694 0.1695 0.2308 1.1031 1.1368 1.7646 1.8471 2.1964 2.3156 3.4111 3.4210 3.5296 3.5447 3.6916 3.6982 3.8612 3.8621 4.2072 4.2161 4.2277 4.2394 4.6548 4.6563 4.6879 4.6932 4.9459 4.9488 4.9895 4.9918 5.3912 5.4040 5.4540 5.4711 9.8367 10.1021 10.2972 10.3528 10.9390 11.0598 11.9578 12.0080 12.5737 12.6661 12.9190 13.0309 14.4941 14.5007 k = 0.6804-0.0344-0.0248 ( 6892 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2710 -14.2636 -14.2248 -14.2172 -11.7232 -11.7140 -11.6895 -11.6727 -11.4208 -11.4020 -11.3402 -11.3374 -5.5730 -5.5475 -5.4979 -5.4755 -5.3346 -5.3132 -5.2349 -5.2004 -5.1436 -5.1274 -5.1089 -5.0913 -4.8921 -4.8630 -4.7307 -4.7125 -0.7238 -0.6813 -0.3738 -0.3057 0.1374 0.1936 1.1479 1.1811 1.7815 1.8566 2.2061 2.3127 3.4035 3.4137 3.5584 3.5727 3.6972 3.7030 3.8721 3.8736 4.2242 4.2356 4.2492 4.2569 4.6429 4.6447 4.6681 4.6724 4.9284 4.9315 4.9851 4.9879 5.3869 5.4032 5.4497 5.4707 9.8219 10.0704 10.2599 10.3071 10.9139 11.0304 12.0102 12.0552 12.6018 12.6892 12.9372 13.0425 14.5063 14.5114 k = 0.6904-0.0218-0.0157 ( 6885 PWs) bands (ev): -21.7021 -21.7021 -21.6474 -21.6474 -14.2748 -14.2679 -14.2185 -14.2114 -11.7284 -11.7207 -11.6959 -11.6795 -11.4218 -11.4041 -11.3322 -11.3297 -5.5653 -5.5455 -5.4991 -5.4795 -5.3314 -5.3108 -5.2346 -5.1983 -5.1407 -5.1249 -5.1073 -5.0903 -4.8898 -4.8611 -4.7153 -4.6975 -0.7437 -0.7060 -0.4052 -0.3411 0.1041 0.1553 1.1929 1.2254 1.7986 1.8668 2.2120 2.3067 3.3957 3.4060 3.5855 3.5985 3.7038 3.7087 3.8832 3.8856 4.2406 4.2531 4.2712 4.2767 4.6303 4.6327 4.6499 4.6534 4.9109 4.9141 4.9791 4.9833 5.3822 5.4024 5.4457 5.4716 9.8125 10.0440 10.2226 10.2623 10.8874 10.9990 12.0620 12.1027 12.6285 12.7117 12.9514 13.0499 14.5182 14.5224 k = 0.7004-0.0092-0.0066 ( 6877 PWs) bands (ev): -21.7021 -21.7021 -21.6473 -21.6473 -14.2792 -14.2729 -14.2117 -14.2051 -11.7332 -11.7269 -11.7013 -11.6855 -11.4235 -11.4069 -11.3244 -11.3220 -5.5587 -5.5478 -5.5004 -5.4797 -5.3280 -5.3085 -5.2347 -5.1962 -5.1379 -5.1227 -5.1056 -5.0894 -4.8884 -4.8605 -4.6992 -4.6818 -0.7582 -0.7251 -0.4362 -0.3756 0.0698 0.1162 1.2380 1.2699 1.8159 1.8775 2.2145 2.2978 3.3878 3.3981 3.6098 3.6213 3.7112 3.7152 3.8947 3.8980 4.2570 4.2697 4.2927 4.2977 4.6165 4.6196 4.6341 4.6373 4.8937 4.8969 4.9714 4.9772 5.3775 5.4006 5.4434 5.4735 9.8083 10.0227 10.1858 10.2190 10.8594 10.9656 12.1133 12.1506 12.6535 12.7333 12.9615 13.0528 14.5292 14.5333 k = 0.7105 0.0034 0.0025 ( 6886 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2841 -14.2784 -14.2045 -14.1983 -11.7377 -11.7329 -11.7057 -11.6906 -11.4259 -11.4104 -11.3167 -11.3145 -5.5558 -5.5534 -5.5027 -5.4747 -5.3245 -5.3064 -5.2350 -5.1941 -5.1354 -5.1208 -5.1038 -5.0886 -4.8881 -4.8614 -4.6823 -4.6654 -0.7671 -0.7385 -0.4666 -0.4093 0.0348 0.0765 1.2832 1.3143 1.8332 1.8886 2.2135 2.2860 3.3799 3.3901 3.6307 3.6403 3.7193 3.7226 3.9066 3.9109 4.2740 4.2862 4.3133 4.3185 4.6019 4.6052 4.6212 4.6243 4.8772 4.8803 4.9619 4.9693 5.3730 5.3973 5.4436 5.4763 9.8088 10.0052 10.1508 10.1784 10.8299 10.9302 12.1637 12.1984 12.6762 12.7538 12.9676 13.0512 14.5389 14.5438 k = 0.7205 0.0160 0.0115 ( 6880 PWs) bands (ev): -21.7020 -21.7020 -21.6473 -21.6473 -14.2896 -14.2844 -14.1967 -14.1911 -11.7422 -11.7386 -11.7088 -11.6945 -11.4288 -11.4145 -11.3093 -11.3072 -5.5642 -5.5559 -5.5028 -5.4665 -5.3209 -5.3045 -5.2355 -5.1918 -5.1330 -5.1192 -5.1021 -5.0878 -4.8890 -4.8637 -4.6646 -4.6481 -0.7701 -0.7460 -0.4964 -0.4419 -0.0009 0.0366 1.3283 1.3586 1.8505 1.9001 2.2092 2.2715 3.3722 3.3821 3.6472 3.6550 3.7281 3.7306 3.9191 3.9243 4.2915 4.3031 4.3328 4.3385 4.5876 4.5905 4.6104 4.6133 4.8615 4.8644 4.9505 4.9595 5.3689 5.3928 5.4465 5.4800 9.8126 9.9890 10.1196 10.1433 10.7990 10.8931 12.2131 12.2462 12.6963 12.7728 12.9701 13.0455 14.5471 14.5533 k = 0.7305 0.0286 0.0206 ( 6870 PWs) bands (ev): -21.7020 -21.7020 -21.6472 -21.6472 -14.2956 -14.2910 -14.1885 -14.1834 -11.7467 -11.7442 -11.7103 -11.6972 -11.4322 -11.4193 -11.3020 -11.3001 -5.5760 -5.5635 -5.4989 -5.4569 -5.3175 -5.3030 -5.2359 -5.1894 -5.1309 -5.1178 -5.1005 -5.0872 -4.8912 -4.8675 -4.6459 -4.6298 -0.7675 -0.7478 -0.5253 -0.4732 -0.0370 -0.0033 1.3732 1.4028 1.8679 1.9120 2.2016 2.2543 3.3646 3.3741 3.6592 3.6652 3.7375 3.7394 3.9320 3.9381 4.3097 4.3205 4.3510 4.3573 4.5744 4.5769 4.6010 4.6038 4.8470 4.8495 4.9374 4.9476 5.3654 5.3875 5.4518 5.4845 9.8168 9.9691 10.0952 10.1183 10.7665 10.8541 12.2613 12.2936 12.7130 12.7896 12.9694 13.0359 14.5535 14.5610 k = 0.7405 0.0412 0.0297 ( 6876 PWs) bands (ev): -21.7020 -21.7020 -21.6472 -21.6472 -14.3022 -14.2982 -14.1798 -14.1752 -11.7514 -11.7496 -11.7103 -11.6986 -11.4362 -11.4246 -11.2950 -11.2932 -5.5900 -5.5760 -5.4921 -5.4471 -5.3143 -5.3017 -5.2359 -5.1867 -5.1291 -5.1166 -5.0991 -5.0866 -4.8948 -4.8729 -4.6261 -4.6105 -0.7594 -0.7442 -0.5530 -0.5030 -0.0733 -0.0431 1.4178 1.4466 1.8851 1.9242 2.1909 2.2343 3.3571 3.3661 3.6664 3.6708 3.7476 3.7488 3.9451 3.9519 4.3281 4.3383 4.3676 4.3746 4.5628 4.5650 4.5927 4.5956 4.8337 4.8359 4.9226 4.9338 5.3625 5.3822 5.4592 5.4899 9.8174 9.9413 10.0808 10.1091 10.7325 10.8134 12.3080 12.3403 12.7256 12.8031 12.9667 13.0234 14.5576 14.5666 Writing output data file KIO3.save init_run : 3.71s CPU 11.37s WALL ( 1 calls) electrons : 2428.92s CPU 2451.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 2428.88s CPU 2451.26s WALL ( 1 calls) v_of_rho : 0.04s CPU 1.03s WALL ( 1 calls) v_h : 0.01s CPU 0.17s WALL ( 1 calls) v_xc : 0.03s CPU 0.64s WALL ( 1 calls) newd : 0.37s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.13s WALL ( 240 calls) cegterg : 2356.27s CPU 2375.64s WALL ( 1209 calls) Called by sum_band: Called by *egterg: h_psi : 848.54s CPU 863.26s WALL ( 24507 calls) s_psi : 63.01s CPU 63.51s WALL ( 24507 calls) g_psi : 1.68s CPU 1.78s WALL ( 23058 calls) cdiaghg : 1127.49s CPU 1123.77s WALL ( 23298 calls) cegterg:over : 160.18s CPU 152.94s WALL ( 23058 calls) cegterg:upda : 56.52s CPU 62.33s WALL ( 23058 calls) cegterg:last : 33.86s CPU 34.45s WALL ( 2169 calls) Called by h_psi: h_psi:vloc : 693.49s CPU 705.72s WALL ( 24507 calls) h_psi:vnl : 153.90s CPU 155.38s WALL ( 24507 calls) add_vuspsi : 52.70s CPU 60.77s WALL ( 24507 calls) General routines calbec : 101.13s CPU 94.42s WALL ( 24507 calls) fft : 0.35s CPU 1.25s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 655.26s CPU 664.23s WALL ( 2009588 calls) interpolate : 0.02s CPU 0.08s WALL ( 4 calls) davcio : 0.01s CPU 2.31s WALL ( 480 calls) Parallel routines fft_scatter : 370.64s CPU 373.68s WALL ( 2009611 calls) PWSCF : 41m48.11s CPU 45m14.00s WALL This run was terminated on: 22: 9:15 28Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=