Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 6:58:33 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./ICl3.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 21 6 1238 913 136 Max 27 22 7 1245 935 141 Sum 1923 1569 445 89433 66483 9991 bravais-lattice index = 14 lattice parameter (alat) = 10.2083 a.u. unit-cell volume = 1578.6159 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.208300 celldm(2)= 1.042632 celldm(3)= 1.537764 celldm(4)= 0.313064 celldm(5)= 0.202548 celldm(6)= 0.154848 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.161450 1.030056 0.000000 ) a(3) = ( 0.311471 0.438477 1.440639 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.156739 -0.168498 ) b(2) = ( 0.000000 0.970821 -0.295482 ) b(3) = ( 0.000000 0.000000 0.694136 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) I 7.00 126.90450 I( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 232 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.0783694 -0.0842489), wk = 0.0043103 k( 2) = ( 0.4833333 -0.0757571 -0.0814406), wk = 0.0043103 k( 3) = ( 0.4666667 -0.0731448 -0.0786323), wk = 0.0043103 k( 4) = ( 0.4500000 -0.0705325 -0.0758240), wk = 0.0043103 k( 5) = ( 0.4333333 -0.0679202 -0.0730157), wk = 0.0043103 k( 6) = ( 0.4166667 -0.0653079 -0.0702074), wk = 0.0043103 k( 7) = ( 0.4000000 -0.0626955 -0.0673991), wk = 0.0043103 k( 8) = ( 0.3833333 -0.0600832 -0.0645908), wk = 0.0043103 k( 9) = ( 0.3666667 -0.0574709 -0.0617825), wk = 0.0043103 k( 10) = ( 0.3500000 -0.0548586 -0.0589743), wk = 0.0043103 k( 11) = ( 0.3333333 -0.0522463 -0.0561660), wk = 0.0043103 k( 12) = ( 0.3166667 -0.0496340 -0.0533577), wk = 0.0043103 k( 13) = ( 0.3000000 -0.0470217 -0.0505494), wk = 0.0043103 k( 14) = ( 0.2833333 -0.0444093 -0.0477411), wk = 0.0043103 k( 15) = ( 0.2666667 -0.0417970 -0.0449328), wk = 0.0043103 k( 16) = ( 0.2500000 -0.0391847 -0.0421245), wk = 0.0043103 k( 17) = ( 0.2333333 -0.0365724 -0.0393162), wk = 0.0043103 k( 18) = ( 0.2166667 -0.0339601 -0.0365079), wk = 0.0043103 k( 19) = ( 0.2000000 -0.0313478 -0.0336996), wk = 0.0043103 k( 20) = ( 0.1833333 -0.0287355 -0.0308913), wk = 0.0043103 k( 21) = ( 0.1666667 -0.0261231 -0.0280830), wk = 0.0043103 k( 22) = ( 0.1500000 -0.0235108 -0.0252747), wk = 0.0043103 k( 23) = ( 0.1333333 -0.0208985 -0.0224664), wk = 0.0043103 k( 24) = ( 0.1166667 -0.0182862 -0.0196581), wk = 0.0043103 k( 25) = ( 0.1000000 -0.0156739 -0.0168498), wk = 0.0043103 k( 26) = ( 0.0833333 -0.0130616 -0.0140415), wk = 0.0043103 k( 27) = ( 0.0666667 -0.0104493 -0.0112332), wk = 0.0043103 k( 28) = ( 0.0500000 -0.0078369 -0.0084249), wk = 0.0043103 k( 29) = ( 0.0333333 -0.0052246 -0.0056166), wk = 0.0043103 k( 30) = ( 0.0166667 -0.0026123 -0.0028083), wk = 0.0043103 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 33) = ( 0.0000000 0.0161803 -0.0049247), wk = 0.0043103 k( 34) = ( 0.0000000 0.0323607 -0.0098494), wk = 0.0043103 k( 35) = ( 0.0000000 0.0485410 -0.0147741), wk = 0.0043103 k( 36) = ( 0.0000000 0.0647214 -0.0196988), wk = 0.0043103 k( 37) = ( 0.0000000 0.0809017 -0.0246235), wk = 0.0043103 k( 38) = ( 0.0000000 0.0970821 -0.0295482), wk = 0.0043103 k( 39) = ( 0.0000000 0.1132624 -0.0344729), wk = 0.0043103 k( 40) = ( 0.0000000 0.1294427 -0.0393976), wk = 0.0043103 k( 41) = ( 0.0000000 0.1456231 -0.0443223), wk = 0.0043103 k( 42) = ( 0.0000000 0.1618034 -0.0492470), wk = 0.0043103 k( 43) = ( 0.0000000 0.1779838 -0.0541717), wk = 0.0043103 k( 44) = ( 0.0000000 0.1941641 -0.0590963), wk = 0.0043103 k( 45) = ( 0.0000000 0.2103445 -0.0640210), wk = 0.0043103 k( 46) = ( 0.0000000 0.2265248 -0.0689457), wk = 0.0043103 k( 47) = ( 0.0000000 0.2427052 -0.0738704), wk = 0.0043103 k( 48) = ( 0.0000000 0.2588855 -0.0787951), wk = 0.0043103 k( 49) = ( 0.0000000 0.2750658 -0.0837198), wk = 0.0043103 k( 50) = ( 0.0000000 0.2912462 -0.0886445), wk = 0.0043103 k( 51) = ( 0.0000000 0.3074265 -0.0935692), wk = 0.0043103 k( 52) = ( 0.0000000 0.3236069 -0.0984939), wk = 0.0043103 k( 53) = ( 0.0000000 0.3397872 -0.1034186), wk = 0.0043103 k( 54) = ( 0.0000000 0.3559676 -0.1083433), wk = 0.0043103 k( 55) = ( 0.0000000 0.3721479 -0.1132680), wk = 0.0043103 k( 56) = ( 0.0000000 0.3883283 -0.1181927), wk = 0.0043103 k( 57) = ( 0.0000000 0.4045086 -0.1231174), wk = 0.0043103 k( 58) = ( 0.0000000 0.4206889 -0.1280421), wk = 0.0043103 k( 59) = ( 0.0000000 0.4368693 -0.1329668), wk = 0.0043103 k( 60) = ( 0.0000000 0.4530496 -0.1378915), wk = 0.0043103 k( 61) = ( 0.0000000 0.4692300 -0.1428162), wk = 0.0043103 k( 62) = ( 0.0000000 0.4854103 -0.1477409), wk = 0.0043103 k( 63) = ( 0.5000000 0.4070409 -0.2319898), wk = 0.0043103 k( 64) = ( 0.4875000 0.3968649 -0.2261901), wk = 0.0043103 k( 65) = ( 0.4750000 0.3866888 -0.2203903), wk = 0.0043103 k( 66) = ( 0.4625000 0.3765128 -0.2145906), wk = 0.0043103 k( 67) = ( 0.4500000 0.3663368 -0.2087908), wk = 0.0043103 k( 68) = ( 0.4375000 0.3561608 -0.2029911), wk = 0.0043103 k( 69) = ( 0.4250000 0.3459847 -0.1971913), wk = 0.0043103 k( 70) = ( 0.4125000 0.3358087 -0.1913916), wk = 0.0043103 k( 71) = ( 0.4000000 0.3256327 -0.1855918), wk = 0.0043103 k( 72) = ( 0.3875000 0.3154567 -0.1797921), wk = 0.0043103 k( 73) = ( 0.3750000 0.3052807 -0.1739924), wk = 0.0043103 k( 74) = ( 0.3625000 0.2951046 -0.1681926), wk = 0.0043103 k( 75) = ( 0.3500000 0.2849286 -0.1623929), wk = 0.0043103 k( 76) = ( 0.3375000 0.2747526 -0.1565931), wk = 0.0043103 k( 77) = ( 0.3250000 0.2645766 -0.1507934), wk = 0.0043103 k( 78) = ( 0.3125000 0.2544005 -0.1449936), wk = 0.0043103 k( 79) = ( 0.3000000 0.2442245 -0.1391939), wk = 0.0043103 k( 80) = ( 0.2875000 0.2340485 -0.1333941), wk = 0.0043103 k( 81) = ( 0.2750000 0.2238725 -0.1275944), wk = 0.0043103 k( 82) = ( 0.2625000 0.2136965 -0.1217946), wk = 0.0043103 k( 83) = ( 0.2500000 0.2035204 -0.1159949), wk = 0.0043103 k( 84) = ( 0.2375000 0.1933444 -0.1101952), wk = 0.0043103 k( 85) = ( 0.2250000 0.1831684 -0.1043954), wk = 0.0043103 k( 86) = ( 0.2125000 0.1729924 -0.0985957), wk = 0.0043103 k( 87) = ( 0.2000000 0.1628164 -0.0927959), wk = 0.0043103 k( 88) = ( 0.1875000 0.1526403 -0.0869962), wk = 0.0043103 k( 89) = ( 0.1750000 0.1424643 -0.0811964), wk = 0.0043103 k( 90) = ( 0.1625000 0.1322883 -0.0753967), wk = 0.0043103 k( 91) = ( 0.1500000 0.1221123 -0.0695969), wk = 0.0043103 k( 92) = ( 0.1375000 0.1119362 -0.0637972), wk = 0.0043103 k( 93) = ( 0.1250000 0.1017602 -0.0579975), wk = 0.0043103 k( 94) = ( 0.1125000 0.0915842 -0.0521977), wk = 0.0043103 k( 95) = ( 0.1000000 0.0814082 -0.0463980), wk = 0.0043103 k( 96) = ( 0.0875000 0.0712322 -0.0405982), wk = 0.0043103 k( 97) = ( 0.0750000 0.0610561 -0.0347985), wk = 0.0043103 k( 98) = ( 0.0625000 0.0508801 -0.0289987), wk = 0.0043103 k( 99) = ( 0.0500000 0.0407041 -0.0231990), wk = 0.0043103 k( 100) = ( 0.0375000 0.0305281 -0.0173992), wk = 0.0043103 k( 101) = ( 0.0250000 0.0203520 -0.0115995), wk = 0.0043103 k( 102) = ( 0.0125000 0.0101760 -0.0057997), wk = 0.0043103 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 105) = ( 0.0000000 0.0000000 0.0165271), wk = 0.0043103 k( 106) = ( 0.0000000 0.0000000 0.0330541), wk = 0.0043103 k( 107) = ( 0.0000000 0.0000000 0.0495812), wk = 0.0043103 k( 108) = ( 0.0000000 0.0000000 0.0661082), wk = 0.0043103 k( 109) = ( 0.0000000 0.0000000 0.0826353), wk = 0.0043103 k( 110) = ( 0.0000000 0.0000000 0.0991623), wk = 0.0043103 k( 111) = ( 0.0000000 0.0000000 0.1156894), wk = 0.0043103 k( 112) = ( 0.0000000 0.0000000 0.1322164), wk = 0.0043103 k( 113) = ( 0.0000000 0.0000000 0.1487435), wk = 0.0043103 k( 114) = ( 0.0000000 0.0000000 0.1652706), wk = 0.0043103 k( 115) = ( 0.0000000 0.0000000 0.1817976), wk = 0.0043103 k( 116) = ( 0.0000000 0.0000000 0.1983247), wk = 0.0043103 k( 117) = ( 0.0000000 0.0000000 0.2148517), wk = 0.0043103 k( 118) = ( 0.0000000 0.0000000 0.2313788), wk = 0.0043103 k( 119) = ( 0.0000000 0.0000000 0.2479058), wk = 0.0043103 k( 120) = ( 0.0000000 0.0000000 0.2644329), wk = 0.0043103 k( 121) = ( 0.0000000 0.0000000 0.2809599), wk = 0.0043103 k( 122) = ( 0.0000000 0.0000000 0.2974870), wk = 0.0043103 k( 123) = ( 0.0000000 0.0000000 0.3140141), wk = 0.0043103 k( 124) = ( 0.0000000 0.0000000 0.3305411), wk = 0.0043103 k( 125) = ( 0.0000000 0.0000000 0.3470682), wk = 0.0043103 k( 126) = ( 0.5000000 -0.0783694 0.2628192), wk = 0.0043103 k( 127) = ( 0.4852941 -0.0760645 0.2550893), wk = 0.0043103 k( 128) = ( 0.4705882 -0.0737595 0.2473593), wk = 0.0043103 k( 129) = ( 0.4558823 -0.0714545 0.2396293), wk = 0.0043103 k( 130) = ( 0.4411765 -0.0691495 0.2318993), wk = 0.0043103 k( 131) = ( 0.4264706 -0.0668445 0.2241694), wk = 0.0043103 k( 132) = ( 0.4117647 -0.0645395 0.2164394), wk = 0.0043103 k( 133) = ( 0.3970588 -0.0622346 0.2087094), wk = 0.0043103 k( 134) = ( 0.3823529 -0.0599296 0.2009794), wk = 0.0043103 k( 135) = ( 0.3676471 -0.0576246 0.1932494), wk = 0.0043103 k( 136) = ( 0.3529412 -0.0553196 0.1855195), wk = 0.0043103 k( 137) = ( 0.3382353 -0.0530146 0.1777895), wk = 0.0043103 k( 138) = ( 0.3235294 -0.0507096 0.1700595), wk = 0.0043103 k( 139) = ( 0.3088235 -0.0484047 0.1623295), wk = 0.0043103 k( 140) = ( 0.2941177 -0.0460997 0.1545996), wk = 0.0043103 k( 141) = ( 0.2794118 -0.0437947 0.1468696), wk = 0.0043103 k( 142) = ( 0.2647059 -0.0414897 0.1391396), wk = 0.0043103 k( 143) = ( 0.2500000 -0.0391847 0.1314096), wk = 0.0043103 k( 144) = ( 0.2352941 -0.0368797 0.1236796), wk = 0.0043103 k( 145) = ( 0.2205882 -0.0345748 0.1159497), wk = 0.0043103 k( 146) = ( 0.2058823 -0.0322698 0.1082197), wk = 0.0043103 k( 147) = ( 0.1911765 -0.0299648 0.1004897), wk = 0.0043103 k( 148) = ( 0.1764706 -0.0276598 0.0927597), wk = 0.0043103 k( 149) = ( 0.1617647 -0.0253548 0.0850298), wk = 0.0043103 k( 150) = ( 0.1470588 -0.0230498 0.0772998), wk = 0.0043103 k( 151) = ( 0.1323529 -0.0207449 0.0695698), wk = 0.0043103 k( 152) = ( 0.1176471 -0.0184399 0.0618398), wk = 0.0043103 k( 153) = ( 0.1029412 -0.0161349 0.0541098), wk = 0.0043103 k( 154) = ( 0.0882353 -0.0138299 0.0463799), wk = 0.0043103 k( 155) = ( 0.0735294 -0.0115249 0.0386499), wk = 0.0043103 k( 156) = ( 0.0588235 -0.0092199 0.0309199), wk = 0.0043103 k( 157) = ( 0.0441177 -0.0069150 0.0231899), wk = 0.0043103 k( 158) = ( 0.0294118 -0.0046100 0.0154600), wk = 0.0043103 k( 159) = ( 0.0147059 -0.0023050 0.0077300), wk = 0.0043103 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 162) = ( 0.0000000 0.0156584 0.0064299), wk = 0.0043103 k( 163) = ( 0.0000000 0.0313168 0.0128598), wk = 0.0043103 k( 164) = ( 0.0000000 0.0469752 0.0192897), wk = 0.0043103 k( 165) = ( 0.0000000 0.0626336 0.0257197), wk = 0.0043103 k( 166) = ( 0.0000000 0.0782920 0.0321496), wk = 0.0043103 k( 167) = ( 0.0000000 0.0939504 0.0385795), wk = 0.0043103 k( 168) = ( 0.0000000 0.1096088 0.0450094), wk = 0.0043103 k( 169) = ( 0.0000000 0.1252672 0.0514393), wk = 0.0043103 k( 170) = ( 0.0000000 0.1409256 0.0578692), wk = 0.0043103 k( 171) = ( 0.0000000 0.1565840 0.0642991), wk = 0.0043103 k( 172) = ( 0.0000000 0.1722424 0.0707290), wk = 0.0043103 k( 173) = ( 0.0000000 0.1879008 0.0771590), wk = 0.0043103 k( 174) = ( 0.0000000 0.2035592 0.0835889), wk = 0.0043103 k( 175) = ( 0.0000000 0.2192176 0.0900188), wk = 0.0043103 k( 176) = ( 0.0000000 0.2348760 0.0964487), wk = 0.0043103 k( 177) = ( 0.0000000 0.2505344 0.1028786), wk = 0.0043103 k( 178) = ( 0.0000000 0.2661928 0.1093085), wk = 0.0043103 k( 179) = ( 0.0000000 0.2818512 0.1157384), wk = 0.0043103 k( 180) = ( 0.0000000 0.2975095 0.1221683), wk = 0.0043103 k( 181) = ( 0.0000000 0.3131680 0.1285983), wk = 0.0043103 k( 182) = ( 0.0000000 0.3288263 0.1350282), wk = 0.0043103 k( 183) = ( 0.0000000 0.3444847 0.1414581), wk = 0.0043103 k( 184) = ( 0.0000000 0.3601431 0.1478880), wk = 0.0043103 k( 185) = ( 0.0000000 0.3758015 0.1543179), wk = 0.0043103 k( 186) = ( 0.0000000 0.3914599 0.1607478), wk = 0.0043103 k( 187) = ( 0.0000000 0.4071183 0.1671777), wk = 0.0043103 k( 188) = ( 0.0000000 0.4227767 0.1736076), wk = 0.0043103 k( 189) = ( 0.0000000 0.4384351 0.1800376), wk = 0.0043103 k( 190) = ( 0.0000000 0.4540935 0.1864675), wk = 0.0043103 k( 191) = ( 0.0000000 0.4697519 0.1928974), wk = 0.0043103 k( 192) = ( 0.0000000 0.4854103 0.1993273), wk = 0.0043103 k( 193) = ( 0.5000000 0.4070409 0.1150784), wk = 0.0043103 k( 194) = ( 0.4871795 0.3966039 0.1121276), wk = 0.0043103 k( 195) = ( 0.4743590 0.3861670 0.1091769), wk = 0.0043103 k( 196) = ( 0.4615385 0.3757300 0.1062262), wk = 0.0043103 k( 197) = ( 0.4487179 0.3652931 0.1032755), wk = 0.0043103 k( 198) = ( 0.4358974 0.3548562 0.1003247), wk = 0.0043103 k( 199) = ( 0.4230769 0.3444192 0.0973740), wk = 0.0043103 k( 200) = ( 0.4102564 0.3339823 0.0944233), wk = 0.0043103 k( 201) = ( 0.3974359 0.3235453 0.0914726), wk = 0.0043103 k( 202) = ( 0.3846154 0.3131084 0.0885218), wk = 0.0043103 k( 203) = ( 0.3717949 0.3026714 0.0855711), wk = 0.0043103 k( 204) = ( 0.3589744 0.2922345 0.0826204), wk = 0.0043103 k( 205) = ( 0.3461538 0.2817975 0.0796696), wk = 0.0043103 k( 206) = ( 0.3333333 0.2713606 0.0767189), wk = 0.0043103 k( 207) = ( 0.3205128 0.2609236 0.0737682), wk = 0.0043103 k( 208) = ( 0.3076923 0.2504867 0.0708175), wk = 0.0043103 k( 209) = ( 0.2948718 0.2400497 0.0678667), wk = 0.0043103 k( 210) = ( 0.2820513 0.2296128 0.0649160), wk = 0.0043103 k( 211) = ( 0.2692308 0.2191759 0.0619653), wk = 0.0043103 k( 212) = ( 0.2564103 0.2087389 0.0590146), wk = 0.0043103 k( 213) = ( 0.2435897 0.1983020 0.0560638), wk = 0.0043103 k( 214) = ( 0.2307692 0.1878650 0.0531131), wk = 0.0043103 k( 215) = ( 0.2179487 0.1774281 0.0501624), wk = 0.0043103 k( 216) = ( 0.2051282 0.1669911 0.0472116), wk = 0.0043103 k( 217) = ( 0.1923077 0.1565542 0.0442609), wk = 0.0043103 k( 218) = ( 0.1794872 0.1461172 0.0413102), wk = 0.0043103 k( 219) = ( 0.1666667 0.1356803 0.0383595), wk = 0.0043103 k( 220) = ( 0.1538461 0.1252433 0.0354087), wk = 0.0043103 k( 221) = ( 0.1410256 0.1148064 0.0324580), wk = 0.0043103 k( 222) = ( 0.1282051 0.1043695 0.0295073), wk = 0.0043103 k( 223) = ( 0.1153846 0.0939325 0.0265565), wk = 0.0043103 k( 224) = ( 0.1025641 0.0834956 0.0236058), wk = 0.0043103 k( 225) = ( 0.0897436 0.0730586 0.0206551), wk = 0.0043103 k( 226) = ( 0.0769231 0.0626217 0.0177044), wk = 0.0043103 k( 227) = ( 0.0641026 0.0521847 0.0147536), wk = 0.0043103 k( 228) = ( 0.0512821 0.0417478 0.0118029), wk = 0.0043103 k( 229) = ( 0.0384615 0.0313108 0.0088522), wk = 0.0043103 k( 230) = ( 0.0256410 0.0208739 0.0059015), wk = 0.0043103 k( 231) = ( 0.0128205 0.0104369 0.0029507), wk = 0.0043103 k( 232) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 cryst. coord. k( 1) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0043103 k( 2) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0043103 k( 3) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0043103 k( 4) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0043103 k( 5) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0043103 k( 6) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0043103 k( 7) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0043103 k( 8) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0043103 k( 9) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0043103 k( 10) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0043103 k( 11) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0043103 k( 12) = ( 0.3166667 -0.0000000 -0.0000000), wk = 0.0043103 k( 13) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0043103 k( 14) = ( 0.2833333 -0.0000000 0.0000000), wk = 0.0043103 k( 15) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0043103 k( 16) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0043103 k( 17) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0043103 k( 18) = ( 0.2166667 -0.0000000 -0.0000000), wk = 0.0043103 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0043103 k( 20) = ( 0.1833333 -0.0000000 -0.0000000), wk = 0.0043103 k( 21) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0043103 k( 22) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0043103 k( 23) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0043103 k( 24) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0043103 k( 25) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0043103 k( 26) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0043103 k( 27) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0043103 k( 28) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0043103 k( 29) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0043103 k( 30) = ( 0.0166667 -0.0000000 0.0000000), wk = 0.0043103 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 33) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0043103 k( 34) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0043103 k( 35) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0043103 k( 36) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0043103 k( 37) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0043103 k( 38) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0043103 k( 39) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0043103 k( 40) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0043103 k( 41) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0043103 k( 42) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0043103 k( 43) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0043103 k( 44) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0043103 k( 45) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0043103 k( 46) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0043103 k( 47) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0043103 k( 48) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0043103 k( 49) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0043103 k( 50) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0043103 k( 51) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0043103 k( 52) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0043103 k( 53) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0043103 k( 54) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0043103 k( 55) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0043103 k( 56) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0043103 k( 57) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0043103 k( 58) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0043103 k( 59) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0043103 k( 60) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0043103 k( 61) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0043103 k( 62) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043103 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043103 k( 64) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0043103 k( 65) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0043103 k( 66) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0043103 k( 67) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0043103 k( 68) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0043103 k( 69) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0043103 k( 70) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0043103 k( 71) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0043103 k( 72) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0043103 k( 73) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0043103 k( 74) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0043103 k( 75) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0043103 k( 76) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0043103 k( 77) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0043103 k( 78) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0043103 k( 79) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0043103 k( 80) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0043103 k( 81) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0043103 k( 82) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0043103 k( 83) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0043103 k( 84) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0043103 k( 85) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0043103 k( 86) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0043103 k( 87) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0043103 k( 88) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0043103 k( 89) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0043103 k( 90) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0043103 k( 91) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0043103 k( 92) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0043103 k( 93) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0043103 k( 94) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0043103 k( 95) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0043103 k( 96) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0043103 k( 97) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0043103 k( 98) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0043103 k( 99) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0043103 k( 100) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0043103 k( 101) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0043103 k( 102) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0043103 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 105) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0043103 k( 106) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0043103 k( 107) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0043103 k( 108) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0043103 k( 109) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0043103 k( 110) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0043103 k( 111) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0043103 k( 112) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0043103 k( 113) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0043103 k( 114) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0043103 k( 115) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0043103 k( 116) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0043103 k( 117) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0043103 k( 118) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0043103 k( 119) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0043103 k( 120) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0043103 k( 121) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0043103 k( 122) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0043103 k( 123) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0043103 k( 124) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0043103 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043103 k( 126) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0043103 k( 127) = ( 0.4852941 0.0000000 0.4852941), wk = 0.0043103 k( 128) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0043103 k( 129) = ( 0.4558823 -0.0000000 0.4558823), wk = 0.0043103 k( 130) = ( 0.4411765 -0.0000000 0.4411765), wk = 0.0043103 k( 131) = ( 0.4264706 -0.0000000 0.4264706), wk = 0.0043103 k( 132) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0043103 k( 133) = ( 0.3970588 -0.0000000 0.3970588), wk = 0.0043103 k( 134) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0043103 k( 135) = ( 0.3676471 -0.0000000 0.3676471), wk = 0.0043103 k( 136) = ( 0.3529412 -0.0000000 0.3529412), wk = 0.0043103 k( 137) = ( 0.3382353 -0.0000000 0.3382353), wk = 0.0043103 k( 138) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0043103 k( 139) = ( 0.3088235 -0.0000000 0.3088235), wk = 0.0043103 k( 140) = ( 0.2941177 -0.0000000 0.2941177), wk = 0.0043103 k( 141) = ( 0.2794118 -0.0000000 0.2794118), wk = 0.0043103 k( 142) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0043103 k( 143) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0043103 k( 144) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0043103 k( 145) = ( 0.2205882 -0.0000000 0.2205882), wk = 0.0043103 k( 146) = ( 0.2058823 0.0000000 0.2058823), wk = 0.0043103 k( 147) = ( 0.1911765 -0.0000000 0.1911765), wk = 0.0043103 k( 148) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0043103 k( 149) = ( 0.1617647 -0.0000000 0.1617647), wk = 0.0043103 k( 150) = ( 0.1470588 -0.0000000 0.1470588), wk = 0.0043103 k( 151) = ( 0.1323529 -0.0000000 0.1323529), wk = 0.0043103 k( 152) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0043103 k( 153) = ( 0.1029412 -0.0000000 0.1029412), wk = 0.0043103 k( 154) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0043103 k( 155) = ( 0.0735294 -0.0000000 0.0735294), wk = 0.0043103 k( 156) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0043103 k( 157) = ( 0.0441177 -0.0000000 0.0441177), wk = 0.0043103 k( 158) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0043103 k( 159) = ( 0.0147059 -0.0000000 0.0147059), wk = 0.0043103 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 k( 162) = ( 0.0000000 0.0161290 0.0161290), wk = 0.0043103 k( 163) = ( 0.0000000 0.0322581 0.0322581), wk = 0.0043103 k( 164) = ( 0.0000000 0.0483871 0.0483871), wk = 0.0043103 k( 165) = ( 0.0000000 0.0645161 0.0645161), wk = 0.0043103 k( 166) = ( 0.0000000 0.0806452 0.0806452), wk = 0.0043103 k( 167) = ( 0.0000000 0.0967742 0.0967742), wk = 0.0043103 k( 168) = ( 0.0000000 0.1129032 0.1129032), wk = 0.0043103 k( 169) = ( 0.0000000 0.1290323 0.1290323), wk = 0.0043103 k( 170) = ( 0.0000000 0.1451613 0.1451613), wk = 0.0043103 k( 171) = ( 0.0000000 0.1612903 0.1612903), wk = 0.0043103 k( 172) = ( 0.0000000 0.1774194 0.1774193), wk = 0.0043103 k( 173) = ( 0.0000000 0.1935484 0.1935484), wk = 0.0043103 k( 174) = ( 0.0000000 0.2096774 0.2096774), wk = 0.0043103 k( 175) = ( 0.0000000 0.2258064 0.2258064), wk = 0.0043103 k( 176) = ( 0.0000000 0.2419355 0.2419355), wk = 0.0043103 k( 177) = ( 0.0000000 0.2580645 0.2580645), wk = 0.0043103 k( 178) = ( 0.0000000 0.2741936 0.2741936), wk = 0.0043103 k( 179) = ( 0.0000000 0.2903226 0.2903226), wk = 0.0043103 k( 180) = ( 0.0000000 0.3064516 0.3064516), wk = 0.0043103 k( 181) = ( 0.0000000 0.3225807 0.3225807), wk = 0.0043103 k( 182) = ( 0.0000000 0.3387097 0.3387097), wk = 0.0043103 k( 183) = ( 0.0000000 0.3548387 0.3548387), wk = 0.0043103 k( 184) = ( 0.0000000 0.3709677 0.3709677), wk = 0.0043103 k( 185) = ( 0.0000000 0.3870968 0.3870968), wk = 0.0043103 k( 186) = ( 0.0000000 0.4032258 0.4032258), wk = 0.0043103 k( 187) = ( 0.0000000 0.4193548 0.4193548), wk = 0.0043103 k( 188) = ( 0.0000000 0.4354839 0.4354839), wk = 0.0043103 k( 189) = ( 0.0000000 0.4516129 0.4516129), wk = 0.0043103 k( 190) = ( 0.0000000 0.4677419 0.4677419), wk = 0.0043103 k( 191) = ( 0.0000000 0.4838710 0.4838710), wk = 0.0043103 k( 192) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0043103 k( 193) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043103 k( 194) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0043103 k( 195) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0043103 k( 196) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0043103 k( 197) = ( 0.4487179 0.4487179 0.4487179), wk = 0.0043103 k( 198) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0043103 k( 199) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0043103 k( 200) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0043103 k( 201) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0043103 k( 202) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0043103 k( 203) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0043103 k( 204) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0043103 k( 205) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0043103 k( 206) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043103 k( 207) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0043103 k( 208) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0043103 k( 209) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0043103 k( 210) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0043103 k( 211) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0043103 k( 212) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0043103 k( 213) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0043103 k( 214) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0043103 k( 215) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0043103 k( 216) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0043103 k( 217) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0043103 k( 218) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0043103 k( 219) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043103 k( 220) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0043103 k( 221) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0043103 k( 222) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0043103 k( 223) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0043103 k( 224) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0043103 k( 225) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0043103 k( 226) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0043103 k( 227) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0043103 k( 228) = ( 0.0512821 0.0512820 0.0512820), wk = 0.0043103 k( 229) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0043103 k( 230) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0043103 k( 231) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0043103 k( 232) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043103 Dense grid: 89433 G-vectors FFT dimensions: ( 50, 54, 75) Smooth grid: 66483 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 232, 68) NL pseudopotentials 0.48 Mb ( 116, 272) Each V/rho on FFT grid 0.08 Mb ( 5400) Each G-vector array 0.01 Mb ( 1243) G-vector shells 0.01 Mb ( 1243) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 232, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.56 Mb ( 272, 2, 68) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ICl3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 8.0 secs Computing kpt #: 6 total cpu time spent up to now is 9.2 secs Computing kpt #: 7 total cpu time spent up to now is 10.4 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 12.9 secs Computing kpt #: 10 total cpu time spent up to now is 14.1 secs Computing kpt #: 11 total cpu time spent up to now is 15.5 secs Computing kpt #: 12 total cpu time spent up to now is 17.2 secs Computing kpt #: 13 total cpu time spent up to now is 19.1 secs Computing kpt #: 14 total cpu time spent up to now is 20.9 secs Computing kpt #: 15 total cpu time spent up to now is 22.8 secs Computing kpt #: 16 total cpu time spent up to now is 24.4 secs Computing kpt #: 17 total cpu time spent up to now is 26.0 secs Computing kpt #: 18 total cpu time spent up to now is 27.6 secs Computing kpt #: 19 total cpu time spent up to now is 29.3 secs Computing kpt #: 20 total cpu time spent up to now is 31.3 secs Computing kpt #: 21 total cpu time spent up to now is 33.8 secs Computing kpt #: 22 total cpu time spent up to now is 36.2 secs Computing kpt #: 23 total cpu time spent up to now is 38.9 secs Computing kpt #: 24 total cpu time spent up to now is 41.1 secs Computing kpt #: 25 total cpu time spent up to now is 43.0 secs Computing kpt #: 26 total cpu time spent up to now is 44.6 secs Computing kpt #: 27 total cpu time spent up to now is 46.2 secs Computing kpt #: 28 total cpu time spent up to now is 47.6 secs Computing kpt #: 29 total cpu time spent up to now is 49.1 secs Computing kpt #: 30 total cpu time spent up to now is 50.5 secs Computing kpt #: 31 total cpu time spent up to now is 51.9 secs Computing kpt #: 32 total cpu time spent up to now is 53.3 secs Computing kpt #: 33 total cpu time spent up to now is 54.7 secs Computing kpt #: 34 total cpu time spent up to now is 56.2 secs Computing kpt #: 35 total cpu time spent up to now is 57.8 secs Computing kpt #: 36 total cpu time spent up to now is 59.6 secs Computing kpt #: 37 total cpu time spent up to now is 61.4 secs Computing kpt #: 38 total cpu time spent up to now is 64.0 secs Computing kpt #: 39 total cpu time spent up to now is 66.0 secs Computing kpt #: 40 total cpu time spent up to now is 69.4 secs Computing kpt #: 41 total cpu time spent up to now is 70.5 secs Computing kpt #: 42 total cpu time spent up to now is 71.6 secs Computing kpt #: 43 total cpu time spent up to now is 72.7 secs Computing kpt #: 44 total cpu time spent up to now is 73.7 secs Computing kpt #: 45 total cpu time spent up to now is 74.8 secs Computing kpt #: 46 total cpu time spent up to now is 75.9 secs Computing kpt #: 47 total cpu time spent up to now is 77.0 secs Computing kpt #: 48 total cpu time spent up to now is 78.1 secs Computing kpt #: 49 total cpu time spent up to now is 79.1 secs Computing kpt #: 50 total cpu time spent up to now is 80.2 secs Computing kpt #: 51 total cpu time spent up to now is 81.3 secs Computing kpt #: 52 total cpu time spent up to now is 82.4 secs Computing kpt #: 53 total cpu time spent up to now is 83.4 secs Computing kpt #: 54 total cpu time spent up to now is 84.4 secs Computing kpt #: 55 total cpu time spent up to now is 85.4 secs Computing kpt #: 56 total cpu time spent up to now is 86.5 secs Computing kpt #: 57 total cpu time spent up to now is 87.6 secs Computing kpt #: 58 total cpu time spent up to now is 88.6 secs Computing kpt #: 59 total cpu time spent up to now is 89.9 secs Computing kpt #: 60 total cpu time spent up to now is 91.1 secs Computing kpt #: 61 total cpu time spent up to now is 92.3 secs Computing kpt #: 62 total cpu time spent up to now is 93.6 secs Computing kpt #: 63 total cpu time spent up to now is 94.6 secs Computing kpt #: 64 total cpu time spent up to now is 95.7 secs Computing kpt #: 65 total cpu time spent up to now is 96.9 secs Computing kpt #: 66 total cpu time spent up to now is 98.1 secs Computing kpt #: 67 total cpu time spent up to now is 99.2 secs Computing kpt #: 68 total cpu time spent up to now is 100.4 secs Computing kpt #: 69 total cpu time spent up to now is 101.7 secs Computing kpt #: 70 total cpu time spent up to now is 103.1 secs Computing kpt #: 71 total cpu time spent up to now is 104.5 secs Computing kpt #: 72 total cpu time spent up to now is 105.9 secs Computing kpt #: 73 total cpu time spent up to now is 107.2 secs Computing kpt #: 74 total cpu time spent up to now is 108.4 secs Computing kpt #: 75 total cpu time spent up to now is 109.6 secs Computing kpt #: 76 total cpu time spent up to now is 110.9 secs Computing kpt #: 77 total cpu time spent up to now is 112.1 secs Computing kpt #: 78 total cpu time spent up to now is 113.4 secs Computing kpt #: 79 total cpu time spent up to now is 114.6 secs Computing kpt #: 80 total cpu time spent up to now is 115.9 secs Computing kpt #: 81 total cpu time spent up to now is 117.1 secs Computing kpt #: 82 total cpu time spent up to now is 118.2 secs Computing kpt #: 83 total cpu time spent up to now is 119.3 secs Computing kpt #: 84 total cpu time spent up to now is 120.5 secs Computing kpt #: 85 total cpu time spent up to now is 121.6 secs Computing kpt #: 86 total cpu time spent up to now is 122.7 secs Computing kpt #: 87 total cpu time spent up to now is 123.9 secs Computing kpt #: 88 total cpu time spent up to now is 125.0 secs Computing kpt #: 89 total cpu time spent up to now is 126.1 secs Computing kpt #: 90 total cpu time spent up to now is 127.5 secs Computing kpt #: 91 total cpu time spent up to now is 128.8 secs Computing kpt #: 92 total cpu time spent up to now is 130.2 secs Computing kpt #: 93 total cpu time spent up to now is 131.7 secs Computing kpt #: 94 total cpu time spent up to now is 133.9 secs Computing kpt #: 95 total cpu time spent up to now is 136.9 secs Computing kpt #: 96 total cpu time spent up to now is 139.1 secs Computing kpt #: 97 total cpu time spent up to now is 140.9 secs Computing kpt #: 98 total cpu time spent up to now is 142.4 secs Computing kpt #: 99 total cpu time spent up to now is 144.0 secs Computing kpt #: 100 total cpu time spent up to now is 145.4 secs Computing kpt #: 101 total cpu time spent up to now is 146.9 secs Computing kpt #: 102 total cpu time spent up to now is 148.3 secs Computing kpt #: 103 total cpu time spent up to now is 149.6 secs Computing kpt #: 104 total cpu time spent up to now is 151.0 secs Computing kpt #: 105 total cpu time spent up to now is 152.4 secs Computing kpt #: 106 total cpu time spent up to now is 153.8 secs Computing kpt #: 107 total cpu time spent up to now is 155.2 secs Computing kpt #: 108 total cpu time spent up to now is 156.4 secs Computing kpt #: 109 total cpu time spent up to now is 157.7 secs Computing kpt #: 110 total cpu time spent up to now is 158.9 secs Computing kpt #: 111 total cpu time spent up to now is 160.3 secs Computing kpt #: 112 total cpu time spent up to now is 161.4 secs Computing kpt #: 113 total cpu time spent up to now is 162.6 secs Computing kpt #: 114 total cpu time spent up to now is 163.7 secs Computing kpt #: 115 total cpu time spent up to now is 164.8 secs Computing kpt #: 116 total cpu time spent up to now is 166.0 secs Computing kpt #: 117 total cpu time spent up to now is 167.2 secs Computing kpt #: 118 total cpu time spent up to now is 168.4 secs Computing kpt #: 119 total cpu time spent up to now is 169.9 secs Computing kpt #: 120 total cpu time spent up to now is 171.0 secs Computing kpt #: 121 total cpu time spent up to now is 172.2 secs Computing kpt #: 122 total cpu time spent up to now is 173.4 secs Computing kpt #: 123 total cpu time spent up to now is 174.5 secs Computing kpt #: 124 total cpu time spent up to now is 175.6 secs Computing kpt #: 125 total cpu time spent up to now is 176.6 secs Computing kpt #: 126 total cpu time spent up to now is 177.7 secs Computing kpt #: 127 total cpu time spent up to now is 178.7 secs Computing kpt #: 128 total cpu time spent up to now is 179.7 secs Computing kpt #: 129 total cpu time spent up to now is 180.7 secs Computing kpt #: 130 total cpu time spent up to now is 181.7 secs Computing kpt #: 131 total cpu time spent up to now is 182.8 secs Computing kpt #: 132 total cpu time spent up to now is 183.8 secs Computing kpt #: 133 total cpu time spent up to now is 184.8 secs Computing kpt #: 134 total cpu time spent up to now is 185.8 secs Computing kpt #: 135 total cpu time spent up to now is 186.8 secs Computing kpt #: 136 total cpu time spent up to now is 187.9 secs Computing kpt #: 137 total cpu time spent up to now is 189.0 secs Computing kpt #: 138 total cpu time spent up to now is 190.2 secs Computing kpt #: 139 total cpu time spent up to now is 191.4 secs Computing kpt #: 140 total cpu time spent up to now is 192.6 secs Computing kpt #: 141 total cpu time spent up to now is 193.9 secs Computing kpt #: 142 total cpu time spent up to now is 195.1 secs Computing kpt #: 143 total cpu time spent up to now is 196.5 secs Computing kpt #: 144 total cpu time spent up to now is 197.8 secs Computing kpt #: 145 total cpu time spent up to now is 199.1 secs Computing kpt #: 146 total cpu time spent up to now is 200.6 secs Computing kpt #: 147 total cpu time spent up to now is 202.3 secs Computing kpt #: 148 total cpu time spent up to now is 203.7 secs Computing kpt #: 149 total cpu time spent up to now is 205.6 secs Computing kpt #: 150 total cpu time spent up to now is 207.8 secs Computing kpt #: 151 total cpu time spent up to now is 210.6 secs Computing kpt #: 152 total cpu time spent up to now is 212.8 secs Computing kpt #: 153 total cpu time spent up to now is 214.6 secs Computing kpt #: 154 total cpu time spent up to now is 216.3 secs Computing kpt #: 155 total cpu time spent up to now is 217.9 secs Computing kpt #: 156 total cpu time spent up to now is 219.4 secs Computing kpt #: 157 total cpu time spent up to now is 220.9 secs Computing kpt #: 158 total cpu time spent up to now is 222.1 secs Computing kpt #: 159 total cpu time spent up to now is 223.5 secs Computing kpt #: 160 total cpu time spent up to now is 224.9 secs Computing kpt #: 161 total cpu time spent up to now is 226.3 secs Computing kpt #: 162 total cpu time spent up to now is 227.7 secs Computing kpt #: 163 total cpu time spent up to now is 229.2 secs Computing kpt #: 164 total cpu time spent up to now is 230.6 secs Computing kpt #: 165 total cpu time spent up to now is 232.1 secs Computing kpt #: 166 total cpu time spent up to now is 233.5 secs Computing kpt #: 167 total cpu time spent up to now is 234.9 secs Computing kpt #: 168 total cpu time spent up to now is 236.4 secs Computing kpt #: 169 total cpu time spent up to now is 237.8 secs Computing kpt #: 170 total cpu time spent up to now is 239.2 secs Computing kpt #: 171 total cpu time spent up to now is 240.5 secs Computing kpt #: 172 total cpu time spent up to now is 241.8 secs Computing kpt #: 173 total cpu time spent up to now is 243.2 secs Computing kpt #: 174 total cpu time spent up to now is 244.5 secs Computing kpt #: 175 total cpu time spent up to now is 245.7 secs Computing kpt #: 176 total cpu time spent up to now is 247.0 secs Computing kpt #: 177 total cpu time spent up to now is 248.2 secs Computing kpt #: 178 total cpu time spent up to now is 249.5 secs Computing kpt #: 179 total cpu time spent up to now is 250.7 secs Computing kpt #: 180 total cpu time spent up to now is 252.0 secs Computing kpt #: 181 total cpu time spent up to now is 253.5 secs Computing kpt #: 182 total cpu time spent up to now is 254.9 secs Computing kpt #: 183 total cpu time spent up to now is 256.6 secs Computing kpt #: 184 total cpu time spent up to now is 258.1 secs Computing kpt #: 185 total cpu time spent up to now is 259.4 secs Computing kpt #: 186 total cpu time spent up to now is 260.7 secs Computing kpt #: 187 total cpu time spent up to now is 262.0 secs Computing kpt #: 188 total cpu time spent up to now is 263.2 secs Computing kpt #: 189 total cpu time spent up to now is 264.3 secs Computing kpt #: 190 total cpu time spent up to now is 265.5 secs Computing kpt #: 191 total cpu time spent up to now is 266.7 secs Computing kpt #: 192 total cpu time spent up to now is 268.0 secs Computing kpt #: 193 total cpu time spent up to now is 269.0 secs Computing kpt #: 194 total cpu time spent up to now is 270.0 secs Computing kpt #: 195 total cpu time spent up to now is 271.0 secs Computing kpt #: 196 total cpu time spent up to now is 272.1 secs Computing kpt #: 197 total cpu time spent up to now is 273.2 secs Computing kpt #: 198 total cpu time spent up to now is 274.2 secs Computing kpt #: 199 total cpu time spent up to now is 275.3 secs Computing kpt #: 200 total cpu time spent up to now is 276.3 secs Computing kpt #: 201 total cpu time spent up to now is 277.4 secs Computing kpt #: 202 total cpu time spent up to now is 278.5 secs Computing kpt #: 203 total cpu time spent up to now is 279.6 secs Computing kpt #: 204 total cpu time spent up to now is 280.8 secs Computing kpt #: 205 total cpu time spent up to now is 282.0 secs Computing kpt #: 206 total cpu time spent up to now is 283.2 secs Computing kpt #: 207 total cpu time spent up to now is 284.5 secs Computing kpt #: 208 total cpu time spent up to now is 285.9 secs Computing kpt #: 209 total cpu time spent up to now is 287.6 secs Computing kpt #: 210 total cpu time spent up to now is 289.5 secs Computing kpt #: 211 total cpu time spent up to now is 292.1 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 295.0 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 297.8 secs Computing kpt #: 214 total cpu time spent up to now is 299.6 secs Computing kpt #: 215 total cpu time spent up to now is 301.1 secs Computing kpt #: 216 total cpu time spent up to now is 302.5 secs Computing kpt #: 217 total cpu time spent up to now is 303.8 secs Computing kpt #: 218 total cpu time spent up to now is 305.1 secs Computing kpt #: 219 total cpu time spent up to now is 306.3 secs Computing kpt #: 220 total cpu time spent up to now is 307.5 secs Computing kpt #: 221 total cpu time spent up to now is 308.8 secs Computing kpt #: 222 total cpu time spent up to now is 310.3 secs Computing kpt #: 223 total cpu time spent up to now is 311.8 secs Computing kpt #: 224 total cpu time spent up to now is 313.3 secs Computing kpt #: 225 total cpu time spent up to now is 314.9 secs Computing kpt #: 226 total cpu time spent up to now is 316.3 secs Computing kpt #: 227 total cpu time spent up to now is 317.5 secs Computing kpt #: 228 total cpu time spent up to now is 318.8 secs Computing kpt #: 229 total cpu time spent up to now is 320.2 secs Computing kpt #: 230 total cpu time spent up to now is 321.6 secs Computing kpt #: 231 total cpu time spent up to now is 323.0 secs Computing kpt #: 232 total cpu time spent up to now is 324.3 secs ethr = 1.79E-08, avg # of iterations = 42.4 total cpu time spent up to now is 324.3 secs End of band structure calculation k = 0.5000-0.0784-0.0842 ( 8320 PWs) bands (ev): -13.6088 -13.6088 -13.4665 -13.4665 -12.0185 -12.0185 -12.0038 -12.0038 -11.8925 -11.8925 -11.5132 -11.5132 -9.7040 -9.7040 -9.1622 -9.1622 -3.4278 -3.4278 -2.9954 -2.9954 -2.6939 -2.6939 -2.5616 -2.5616 -1.3053 -1.3053 -1.0386 -1.0386 -0.4325 -0.4325 -0.2849 -0.2849 0.0991 0.0991 0.1478 0.1478 0.2847 0.2847 0.3392 0.3392 0.7024 0.7024 0.8740 0.8740 0.9253 0.9253 1.0586 1.0586 1.1796 1.1796 1.2780 1.2780 2.0870 2.0870 2.1854 2.1854 4.3764 4.3764 4.4588 4.4588 5.0008 5.0008 5.3259 5.3259 9.5348 9.5348 9.8190 9.8190 k = 0.4833-0.0758-0.0814 ( 8320 PWs) bands (ev): -13.6097 -13.6097 -13.4658 -13.4658 -12.0183 -12.0183 -12.0038 -12.0038 -11.8923 -11.8923 -11.5133 -11.5133 -9.7036 -9.7036 -9.1624 -9.1624 -3.4271 -3.4271 -2.9950 -2.9950 -2.6941 -2.6941 -2.5613 -2.5613 -1.3063 -1.3063 -1.0364 -1.0364 -0.4330 -0.4330 -0.2846 -0.2846 0.0961 0.0961 0.1498 0.1498 0.2840 0.2840 0.3414 0.3414 0.7005 0.7005 0.8733 0.8733 0.9260 0.9260 1.0583 1.0583 1.1783 1.1783 1.2766 1.2766 2.0856 2.0856 2.1844 2.1844 4.3763 4.3763 4.4628 4.4628 5.0010 5.0010 5.3262 5.3262 9.5382 9.5382 9.8175 9.8175 k = 0.4667-0.0731-0.0786 ( 8325 PWs) bands (ev): -13.6125 -13.6125 -13.4639 -13.4639 -12.0178 -12.0178 -12.0038 -12.0038 -11.8916 -11.8916 -11.5134 -11.5134 -9.7025 -9.7025 -9.1631 -9.1631 -3.4250 -3.4250 -2.9937 -2.9937 -2.6947 -2.6947 -2.5605 -2.5605 -1.3091 -1.3091 -1.0301 -1.0301 -0.4345 -0.4345 -0.2839 -0.2839 0.0882 0.0882 0.1550 0.1550 0.2823 0.2823 0.3474 0.3474 0.6950 0.6950 0.8712 0.8712 0.9277 0.9277 1.0573 1.0573 1.1744 1.1744 1.2726 1.2726 2.0814 2.0814 2.1812 2.1812 4.3766 4.3766 4.4741 4.4741 5.0016 5.0016 5.3268 5.3268 9.5484 9.5484 9.8129 9.8129 k = 0.4500-0.0705-0.0758 ( 8328 PWs) bands (ev): -13.6170 -13.6170 -13.4609 -13.4609 -12.0170 -12.0170 -12.0039 -12.0039 -11.8904 -11.8904 -11.5137 -11.5137 -9.7007 -9.7007 -9.1643 -9.1643 -3.4217 -3.4217 -2.9916 -2.9916 -2.6956 -2.6956 -2.5591 -2.5591 -1.3135 -1.3135 -1.0200 -1.0200 -0.4368 -0.4368 -0.2828 -0.2828 0.0767 0.0767 0.1618 0.1618 0.2809 0.2809 0.3558 0.3558 0.6862 0.6862 0.8680 0.8680 0.9301 0.9301 1.0556 1.0556 1.1683 1.1683 1.2659 1.2659 2.0745 2.0745 2.1759 2.1759 4.3782 4.3782 4.4916 4.4916 5.0027 5.0027 5.3279 5.3279 9.5652 9.5652 9.8041 9.8041 k = 0.4333-0.0679-0.0730 ( 8328 PWs) bands (ev): -13.6229 -13.6229 -13.4570 -13.4570 -12.0160 -12.0160 -12.0038 -12.0038 -11.8888 -11.8888 -11.5141 -11.5141 -9.6982 -9.6982 -9.1659 -9.1659 -3.4170 -3.4170 -2.9887 -2.9887 -2.6969 -2.6969 -2.5573 -2.5573 -1.3189 -1.3189 -1.0064 -1.0064 -0.4399 -0.4399 -0.2815 -0.2815 0.0628 0.0628 0.1692 0.1692 0.2807 0.2807 0.3656 0.3656 0.6747 0.6747 0.8638 0.8638 0.9323 0.9323 1.0528 1.0528 1.1606 1.1606 1.2569 1.2569 2.0651 2.0651 2.1685 2.1685 4.3819 4.3819 4.5140 4.5140 5.0042 5.0042 5.3294 5.3294 9.5882 9.5882 9.7896 9.7896 k = 0.4167-0.0653-0.0702 ( 8330 PWs) bands (ev): -13.6299 -13.6299 -13.4526 -13.4526 -12.0150 -12.0150 -12.0035 -12.0035 -11.8868 -11.8868 -11.5146 -11.5146 -9.6950 -9.6950 -9.1680 -9.1680 -3.4110 -3.4110 -2.9850 -2.9850 -2.6983 -2.6983 -2.5551 -2.5551 -1.3250 -1.3250 -0.9900 -0.9900 -0.4436 -0.4436 -0.2802 -0.2802 0.0469 0.0469 0.1768 0.1768 0.2821 0.2821 0.3758 0.3758 0.6610 0.6610 0.8587 0.8587 0.9337 0.9337 1.0487 1.0487 1.1521 1.1521 1.2459 1.2459 2.0534 2.0534 2.1590 2.1590 4.3881 4.3881 4.5404 4.5404 5.0064 5.0064 5.3314 5.3314 9.6167 9.6167 9.7675 9.7675 k = 0.4000-0.0627-0.0674 ( 8325 PWs) bands (ev): -13.6378 -13.6378 -13.4477 -13.4477 -12.0141 -12.0141 -12.0028 -12.0028 -11.8842 -11.8842 -11.5152 -11.5152 -9.6911 -9.6911 -9.1705 -9.1705 -3.4037 -3.4037 -2.9807 -2.9807 -2.7000 -2.7000 -2.5524 -2.5524 -1.3312 -1.3312 -0.9712 -0.9712 -0.4476 -0.4476 -0.2791 -0.2791 0.0296 0.0296 0.1841 0.1841 0.2849 0.2849 0.3860 0.3860 0.6458 0.6458 0.8528 0.8528 0.9335 0.9335 1.0430 1.0430 1.1435 1.1435 1.2333 1.2333 2.0396 2.0396 2.1474 2.1474 4.3969 4.3969 4.5701 4.5701 5.0093 5.0093 5.3339 5.3339 9.6487 9.6487 9.7374 9.7374 k = 0.3833-0.0601-0.0646 ( 8317 PWs) bands (ev): -13.6465 -13.6465 -13.4427 -13.4427 -12.0137 -12.0137 -12.0015 -12.0015 -11.8813 -11.8813 -11.5160 -11.5160 -9.6866 -9.6866 -9.1735 -9.1735 -3.3953 -3.3953 -2.9757 -2.9757 -2.7017 -2.7017 -2.5494 -2.5494 -1.3373 -1.3373 -0.9502 -0.9502 -0.4517 -0.4517 -0.2786 -0.2786 0.0111 0.0111 0.1911 0.1911 0.2891 0.2891 0.3957 0.3957 0.6299 0.6299 0.8461 0.8461 0.9309 0.9309 1.0356 1.0356 1.1356 1.1356 1.2198 1.2198 2.0240 2.0240 2.1339 2.1339 4.4080 4.4080 4.6025 4.6025 5.0131 5.0131 5.3369 5.3369 9.6662 9.6662 9.7157 9.7157 k = 0.3667-0.0575-0.0618 ( 8321 PWs) bands (ev): -13.6556 -13.6556 -13.4375 -13.4375 -12.0136 -12.0136 -11.9996 -11.9996 -11.8778 -11.8778 -11.5169 -11.5169 -9.6814 -9.6814 -9.1769 -9.1769 -3.3858 -3.3858 -2.9703 -2.9703 -2.7034 -2.7034 -2.5462 -2.5462 -1.3429 -1.3429 -0.9276 -0.9276 -0.4559 -0.4559 -0.2789 -0.2789 -0.0079 -0.0079 0.1974 0.1974 0.2938 0.2938 0.4045 0.4045 0.6141 0.6141 0.8388 0.8388 0.9254 0.9254 1.0266 1.0266 1.1290 1.1290 1.2058 1.2058 2.0070 2.0070 2.1186 2.1186 4.4213 4.4213 4.6370 4.6370 5.0180 5.0180 5.3404 5.3404 9.6260 9.6260 9.7455 9.7455 k = 0.3500-0.0549-0.0590 ( 8325 PWs) bands (ev): -13.6650 -13.6650 -13.4325 -13.4325 -12.0140 -12.0140 -11.9971 -11.9971 -11.8740 -11.8740 -11.5179 -11.5179 -9.6756 -9.6756 -9.1807 -9.1807 -3.3751 -3.3751 -2.9644 -2.9644 -2.7050 -2.7050 -2.5426 -2.5426 -1.3478 -1.3478 -0.9035 -0.9035 -0.4599 -0.4599 -0.2803 -0.2803 -0.0270 -0.0270 0.2027 0.2027 0.2982 0.2982 0.4121 0.4121 0.5995 0.5995 0.8310 0.8310 0.9164 0.9164 1.0163 1.0163 1.1237 1.1237 1.1921 1.1921 1.9888 1.9888 2.1016 2.1016 4.4364 4.4364 4.6729 4.6729 5.0242 5.0242 5.3445 5.3445 9.5654 9.5654 9.7908 9.7908 k = 0.3333-0.0522-0.0562 ( 8322 PWs) bands (ev): -13.6746 -13.6746 -13.4276 -13.4276 -12.0146 -12.0146 -11.9943 -11.9943 -11.8696 -11.8696 -11.5191 -11.5191 -9.6692 -9.6692 -9.1850 -9.1850 -3.3635 -3.3635 -2.9583 -2.9583 -2.7065 -2.7065 -2.5389 -2.5389 -1.3518 -1.3518 -0.8783 -0.8783 -0.4637 -0.4637 -0.2833 -0.2833 -0.0457 -0.0457 0.2068 0.2068 0.3012 0.3012 0.4183 0.4183 0.5871 0.5871 0.8229 0.8229 0.9040 0.9040 1.0050 1.0050 1.1193 1.1193 1.1794 1.1794 1.9697 1.9697 2.0832 2.0832 4.4527 4.4527 4.7098 4.7098 5.0317 5.0317 5.3493 5.3493 9.4972 9.4972 9.8397 9.8397 k = 0.3167-0.0496-0.0534 ( 8324 PWs) bands (ev): -13.6843 -13.6843 -13.4229 -13.4229 -12.0154 -12.0154 -11.9912 -11.9912 -11.8649 -11.8649 -11.5205 -11.5205 -9.6622 -9.6622 -9.1896 -9.1896 -3.3510 -3.3510 -2.9519 -2.9519 -2.7078 -2.7078 -2.5351 -2.5351 -1.3549 -1.3549 -0.8521 -0.8521 -0.4671 -0.4671 -0.2880 -0.2880 -0.0634 -0.0634 0.2093 0.2093 0.3013 0.3013 0.4234 0.4234 0.5780 0.5780 0.8146 0.8146 0.8886 0.8886 0.9928 0.9928 1.1156 1.1156 1.1684 1.1684 1.9500 1.9500 2.0636 2.0636 4.4699 4.4699 4.7469 4.7469 5.0409 5.0409 5.3549 5.3549 9.4247 9.4247 9.8895 9.8895 k = 0.3000-0.0470-0.0505 ( 8327 PWs) bands (ev): -13.6940 -13.6940 -13.4185 -13.4185 -12.0164 -12.0164 -11.9880 -11.9880 -11.8597 -11.8597 -11.5221 -11.5221 -9.6548 -9.6548 -9.1947 -9.1947 -3.3378 -3.3378 -2.9454 -2.9454 -2.7088 -2.7088 -2.5311 -2.5311 -1.3568 -1.3568 -0.8251 -0.8251 -0.4700 -0.4700 -0.2949 -0.2949 -0.0796 -0.0796 0.2100 0.2100 0.2971 0.2971 0.4277 0.4277 0.5731 0.5731 0.8066 0.8066 0.8708 0.8708 0.9794 0.9794 1.1122 1.1122 1.1593 1.1593 1.9300 1.9300 2.0431 2.0431 4.4874 4.4874 4.7839 4.7839 5.0517 5.0517 5.3614 5.3614 9.3499 9.3499 9.9374 9.9374 k = 0.2833-0.0444-0.0477 ( 8333 PWs) bands (ev): -13.7036 -13.7036 -13.4144 -13.4144 -12.0174 -12.0174 -11.9847 -11.9847 -11.8542 -11.8542 -11.5238 -11.5238 -9.6469 -9.6469 -9.2001 -9.2001 -3.3238 -3.3238 -2.9389 -2.9389 -2.7096 -2.7096 -2.5269 -2.5269 -1.3577 -1.3577 -0.7976 -0.7976 -0.4725 -0.4725 -0.3040 -0.3040 -0.0940 -0.0940 0.2086 0.2086 0.2876 0.2876 0.4319 0.4319 0.5725 0.5725 0.7990 0.7990 0.8516 0.8516 0.9650 0.9650 1.1089 1.1089 1.1523 1.1523 1.9099 1.9099 2.0220 2.0220 4.5048 4.5048 4.8200 4.8200 5.0643 5.0643 5.3689 5.3689 9.2742 9.2742 9.9783 9.9783 k = 0.2667-0.0418-0.0449 ( 8331 PWs) bands (ev): -13.7129 -13.7129 -13.4106 -13.4106 -12.0185 -12.0185 -11.9814 -11.9814 -11.8483 -11.8483 -11.5257 -11.5257 -9.6385 -9.6385 -9.2059 -9.2059 -3.3094 -3.3094 -2.9325 -2.9325 -2.7101 -2.7101 -2.5227 -2.5227 -1.3574 -1.3574 -0.7698 -0.7698 -0.4746 -0.4746 -0.3150 -0.3150 -0.1066 -0.1066 0.2050 0.2050 0.2728 0.2728 0.4360 0.4360 0.5759 0.5759 0.7919 0.7919 0.8320 0.8320 0.9495 0.9495 1.1057 1.1057 1.1469 1.1469 1.8901 1.8901 2.0007 2.0007 4.5216 4.5216 4.8549 4.8549 5.0787 5.0787 5.3775 5.3775 9.1989 9.1989 10.0038 10.0038 k = 0.2500-0.0392-0.0421 ( 8319 PWs) bands (ev): -13.7220 -13.7220 -13.4071 -13.4071 -12.0196 -12.0196 -11.9782 -11.9782 -11.8421 -11.8421 -11.5278 -11.5278 -9.6298 -9.6298 -9.2120 -9.2120 -3.2946 -3.2946 -2.9261 -2.9261 -2.7105 -2.7105 -2.5184 -2.5184 -1.3559 -1.3559 -0.7419 -0.7419 -0.4764 -0.4764 -0.3273 -0.3273 -0.1175 -0.1175 0.1992 0.1992 0.2534 0.2534 0.4399 0.4399 0.5829 0.5829 0.7846 0.7846 0.8133 0.8133 0.9336 0.9336 1.1023 1.1023 1.1429 1.1429 1.8707 1.8707 1.9794 1.9794 4.5376 4.5376 4.8881 4.8881 5.0945 5.0945 5.3874 5.3874 9.1247 9.1247 10.0124 10.0124 k = 0.2333-0.0366-0.0393 ( 8316 PWs) bands (ev): -13.7308 -13.7308 -13.4039 -13.4039 -12.0207 -12.0207 -11.9751 -11.9751 -11.8356 -11.8356 -11.5300 -11.5300 -9.6208 -9.6208 -9.2184 -9.2184 -3.2795 -3.2795 -2.9199 -2.9199 -2.7107 -2.7107 -2.5140 -2.5140 -1.3534 -1.3534 -0.7141 -0.7141 -0.4782 -0.4782 -0.3403 -0.3403 -0.1271 -0.1271 0.1908 0.1908 0.2311 0.2311 0.4427 0.4427 0.5926 0.5926 0.7741 0.7741 0.7992 0.7992 0.9176 0.9176 1.0989 1.0989 1.1399 1.1399 1.8520 1.8520 1.9585 1.9585 4.5525 4.5525 4.9193 4.9193 5.1116 5.1116 5.3987 5.3987 9.0525 9.0525 10.0124 10.0124 k = 0.2167-0.0340-0.0365 ( 8323 PWs) bands (ev): -13.7392 -13.7392 -13.4011 -13.4011 -12.0217 -12.0217 -11.9722 -11.9722 -11.8289 -11.8289 -11.5324 -11.5324 -9.6116 -9.6116 -9.2250 -9.2250 -3.2644 -3.2644 -2.9139 -2.9139 -2.7107 -2.7107 -2.5096 -2.5096 -1.3499 -1.3499 -0.6869 -0.6869 -0.4804 -0.4804 -0.3526 -0.3526 -0.1360 -0.1360 0.1786 0.1786 0.2087 0.2087 0.4438 0.4438 0.6046 0.6046 0.7579 0.7579 0.7928 0.7928 0.9023 0.9023 1.0950 1.0950 1.1374 1.1374 1.8341 1.8341 1.9382 1.9382 4.5660 4.5660 4.9482 4.9482 5.1296 5.1296 5.4114 5.4114 8.9828 8.9828 10.0086 10.0086 k = 0.2000-0.0313-0.0337 ( 8317 PWs) bands (ev): -13.7472 -13.7472 -13.3985 -13.3985 -12.0228 -12.0228 -11.9694 -11.9694 -11.8221 -11.8221 -11.5350 -11.5350 -9.6022 -9.6022 -9.2319 -9.2319 -3.2495 -3.2495 -2.9079 -2.9079 -2.7108 -2.7108 -2.5052 -2.5052 -1.3455 -1.3455 -0.6605 -0.6605 -0.4834 -0.4834 -0.3630 -0.3630 -0.1446 -0.1446 0.1593 0.1593 0.1908 0.1908 0.4427 0.4427 0.6179 0.6179 0.7391 0.7391 0.7912 0.7912 0.8880 0.8880 1.0907 1.0907 1.1354 1.1354 1.8171 1.8171 1.9188 1.9188 4.5781 4.5781 4.9748 4.9748 5.1480 5.1480 5.4255 5.4255 8.9162 8.9162 10.0026 10.0026 k = 0.1833-0.0287-0.0309 ( 8319 PWs) bands (ev): -13.7547 -13.7547 -13.3962 -13.3962 -12.0238 -12.0238 -11.9668 -11.9668 -11.8152 -11.8152 -11.5377 -11.5377 -9.5927 -9.5927 -9.2388 -9.2388 -3.2349 -3.2349 -2.9021 -2.9021 -2.7110 -2.7110 -2.5008 -2.5008 -1.3403 -1.3403 -0.6354 -0.6354 -0.4879 -0.4879 -0.3702 -0.3702 -0.1533 -0.1533 0.1335 0.1335 0.1784 0.1784 0.4391 0.4391 0.6314 0.6314 0.7206 0.7206 0.7923 0.7923 0.8753 0.8753 1.0856 1.0856 1.1338 1.1338 1.8013 1.8013 1.9006 1.9006 4.5888 4.5888 4.9989 4.9989 5.1663 5.1663 5.4408 5.4408 8.8531 8.8531 9.9949 9.9949 k = 0.1667-0.0261-0.0281 ( 8319 PWs) bands (ev): -13.7616 -13.7616 -13.3942 -13.3942 -12.0248 -12.0248 -11.9644 -11.9644 -11.8083 -11.8083 -11.5404 -11.5404 -9.5833 -9.5833 -9.2459 -9.2459 -3.2208 -3.2208 -2.8964 -2.8964 -2.7114 -2.7114 -2.4965 -2.4965 -1.3344 -1.3344 -0.6122 -0.6122 -0.4940 -0.4940 -0.3733 -0.3733 -0.1622 -0.1622 0.1049 0.1049 0.1689 0.1689 0.4328 0.4328 0.6431 0.6431 0.7051 0.7051 0.7947 0.7947 0.8647 0.8647 1.0796 1.0796 1.1323 1.1323 1.7867 1.7867 1.8836 1.8836 4.5980 4.5980 5.0205 5.0205 5.1842 5.1842 5.4570 5.4570 8.7939 8.7939 9.9853 9.9853 k = 0.1500-0.0235-0.0253 ( 8318 PWs) bands (ev): -13.7680 -13.7680 -13.3925 -13.3925 -12.0257 -12.0257 -11.9623 -11.9623 -11.8016 -11.8016 -11.5432 -11.5432 -9.5740 -9.5740 -9.2529 -9.2529 -3.2074 -3.2074 -2.8907 -2.8907 -2.7120 -2.7120 -2.4923 -2.4923 -1.3282 -1.3282 -0.5915 -0.5915 -0.5011 -0.5011 -0.3724 -0.3724 -0.1715 -0.1715 0.0760 0.0760 0.1610 0.1610 0.4239 0.4239 0.6482 0.6482 0.6971 0.6971 0.7977 0.7977 0.8572 0.8572 1.0726 1.0726 1.1311 1.1311 1.7734 1.7734 1.8682 1.8682 4.6060 4.6060 5.0397 5.0397 5.2013 5.2013 5.4738 5.4738 8.7392 8.7392 9.9726 9.9726 k = 0.1333-0.0209-0.0225 ( 8318 PWs) bands (ev): -13.7739 -13.7739 -13.3910 -13.3910 -12.0265 -12.0265 -11.9603 -11.9603 -11.7952 -11.7952 -11.5460 -11.5460 -9.5650 -9.5650 -9.2599 -9.2599 -3.1950 -3.1950 -2.8851 -2.8851 -2.7129 -2.7129 -2.4882 -2.4882 -1.3217 -1.3217 -0.5746 -0.5746 -0.5074 -0.5074 -0.3682 -0.3682 -0.1809 -0.1809 0.0479 0.0479 0.1546 0.1546 0.4124 0.4124 0.6431 0.6431 0.7001 0.7001 0.8001 0.8001 0.8535 0.8535 1.0646 1.0646 1.1300 1.1300 1.7614 1.7614 1.8543 1.8543 4.6127 4.6127 5.0564 5.0564 5.2174 5.2174 5.4907 5.4907 8.6891 8.6891 9.9544 9.9544 k = 0.1167-0.0183-0.0197 ( 8318 PWs) bands (ev): -13.7791 -13.7791 -13.3897 -13.3897 -12.0273 -12.0273 -11.9586 -11.9586 -11.7890 -11.7890 -11.5487 -11.5487 -9.5564 -9.5564 -9.2666 -9.2666 -3.1836 -3.1836 -2.8795 -2.8795 -2.7141 -2.7141 -2.4844 -2.4844 -1.3152 -1.3152 -0.5635 -0.5635 -0.5101 -0.5101 -0.3621 -0.3621 -0.1898 -0.1898 0.0215 0.0215 0.1494 0.1494 0.3989 0.3989 0.6325 0.6325 0.7091 0.7091 0.8010 0.8010 0.8548 0.8548 1.0555 1.0555 1.1290 1.1290 1.7508 1.7508 1.8420 1.8420 4.6182 4.6182 5.0707 5.0707 5.2323 5.2323 5.5070 5.5070 8.6441 8.6441 9.9303 9.9303 k = 0.1000-0.0157-0.0168 ( 8316 PWs) bands (ev): -13.7836 -13.7836 -13.3887 -13.3887 -12.0279 -12.0279 -11.9572 -11.9572 -11.7834 -11.7834 -11.5513 -11.5513 -9.5483 -9.5483 -9.2729 -9.2729 -3.1735 -3.1735 -2.8741 -2.8741 -2.7157 -2.7157 -2.4809 -2.4809 -1.3089 -1.3089 -0.5604 -0.5604 -0.5064 -0.5064 -0.3558 -0.3558 -0.1974 -0.1974 -0.0024 -0.0024 0.1453 0.1453 0.3841 0.3841 0.6213 0.6213 0.7188 0.7188 0.8004 0.8004 0.8607 0.8607 1.0454 1.0454 1.1281 1.1281 1.7416 1.7416 1.8315 1.8315 4.6228 4.6228 5.0826 5.0826 5.2459 5.2459 5.5224 5.5224 8.6045 8.6045 9.9043 9.9043 k = 0.0833-0.0131-0.0140 ( 8308 PWs) bands (ev): -13.7875 -13.7875 -13.3878 -13.3878 -12.0285 -12.0285 -11.9559 -11.9559 -11.7784 -11.7784 -11.5537 -11.5537 -9.5411 -9.5411 -9.2787 -9.2787 -3.1647 -3.1647 -2.8690 -2.8690 -2.7174 -2.7174 -2.4779 -2.4779 -1.3030 -1.3030 -0.5630 -0.5630 -0.4975 -0.4975 -0.3510 -0.3510 -0.2030 -0.2030 -0.0233 -0.0233 0.1421 0.1421 0.3689 0.3689 0.6111 0.6111 0.7273 0.7273 0.7992 0.7992 0.8702 0.8702 1.0345 1.0345 1.1273 1.1273 1.7337 1.7337 1.8226 1.8226 4.6265 4.6265 5.0924 5.0924 5.2578 5.2578 5.5363 5.5363 8.5705 8.5705 9.8799 9.8799 k = 0.0667-0.0104-0.0112 ( 8311 PWs) bands (ev): -13.7907 -13.7907 -13.3871 -13.3871 -12.0290 -12.0290 -11.9549 -11.9549 -11.7740 -11.7740 -11.5558 -11.5558 -9.5347 -9.5347 -9.2838 -9.2838 -3.1574 -3.1574 -2.8644 -2.8644 -2.7192 -2.7192 -2.4752 -2.4752 -1.2979 -1.2979 -0.5678 -0.5678 -0.4868 -0.4868 -0.3491 -0.3491 -0.2058 -0.2058 -0.0405 -0.0405 0.1397 0.1397 0.3542 0.3542 0.6026 0.6026 0.7338 0.7338 0.7983 0.7983 0.8820 0.8820 1.0229 1.0229 1.1267 1.1267 1.7273 1.7273 1.8154 1.8154 4.6294 4.6294 5.1001 5.1001 5.2679 5.2679 5.5483 5.5483 8.5423 8.5423 9.8588 9.8588 k = 0.0500-0.0078-0.0084 ( 8305 PWs) bands (ev): -13.7933 -13.7933 -13.3866 -13.3866 -12.0293 -12.0293 -11.9541 -11.9541 -11.7705 -11.7705 -11.5575 -11.5575 -9.5295 -9.5295 -9.2880 -9.2880 -3.1517 -3.1517 -2.8604 -2.8604 -2.7209 -2.7209 -2.4731 -2.4731 -1.2936 -1.2936 -0.5725 -0.5725 -0.4764 -0.4764 -0.3501 -0.3501 -0.2062 -0.2062 -0.0539 -0.0539 0.1379 0.1379 0.3412 0.3412 0.5960 0.5960 0.7382 0.7382 0.7978 0.7978 0.8946 0.8946 1.0111 1.0111 1.1262 1.1262 1.7223 1.7223 1.8099 1.8099 4.6315 4.6315 5.1060 5.1060 5.2761 5.2761 5.5580 5.5580 8.5202 8.5202 9.8419 9.8419 k = 0.0333-0.0052-0.0056 ( 8297 PWs) bands (ev): -13.7951 -13.7951 -13.3862 -13.3862 -12.0296 -12.0296 -11.9535 -11.9535 -11.7680 -11.7680 -11.5588 -11.5588 -9.5257 -9.5257 -9.2912 -9.2912 -3.1476 -3.1476 -2.8573 -2.8573 -2.7223 -2.7223 -2.4715 -2.4715 -1.2905 -1.2905 -0.5762 -0.5762 -0.4674 -0.4674 -0.3531 -0.3531 -0.2051 -0.2051 -0.0633 -0.0633 0.1366 0.1366 0.3310 0.3310 0.5912 0.5912 0.7409 0.7409 0.7978 0.7978 0.9068 0.9068 0.9999 0.9999 1.1258 1.1258 1.7188 1.7188 1.8060 1.8060 4.6330 4.6330 5.1100 5.1100 5.2820 5.2820 5.5651 5.5651 8.5042 8.5042 9.8295 9.8295 k = 0.0167-0.0026-0.0028 ( 8293 PWs) bands (ev): -13.7961 -13.7961 -13.3860 -13.3860 -12.0298 -12.0298 -11.9532 -11.9532 -11.7664 -11.7664 -11.5596 -11.5596 -9.5233 -9.5233 -9.2931 -9.2931 -3.1451 -3.1451 -2.8553 -2.8553 -2.7232 -2.7232 -2.4706 -2.4706 -1.2885 -1.2885 -0.5786 -0.5786 -0.4612 -0.4612 -0.3562 -0.3562 -0.2039 -0.2039 -0.0688 -0.0688 0.1358 0.1358 0.3245 0.3245 0.5884 0.5884 0.7423 0.7423 0.7980 0.7980 0.9164 0.9164 0.9910 0.9910 1.1255 1.1255 1.7166 1.7166 1.8037 1.8037 4.6339 4.6339 5.1124 5.1124 5.2856 5.2856 5.5695 5.5695 8.4946 8.4946 9.8219 9.8219 k = 0.0000 0.0000 0.0000 ( 8287 PWs) bands (ev): -13.7965 -13.7965 -13.3859 -13.3859 -12.0298 -12.0298 -11.9531 -11.9531 -11.7659 -11.7659 -11.5598 -11.5598 -9.5224 -9.5224 -9.2938 -9.2938 -3.1443 -3.1443 -2.8546 -2.8546 -2.7236 -2.7236 -2.4703 -2.4703 -1.2879 -1.2879 -0.5794 -0.5794 -0.4590 -0.4590 -0.3575 -0.3575 -0.2034 -0.2034 -0.0706 -0.0706 0.1356 0.1356 0.3223 0.3223 0.5874 0.5874 0.7428 0.7428 0.7981 0.7981 0.9203 0.9203 0.9874 0.9874 1.1254 1.1254 1.7159 1.7159 1.8029 1.8029 4.6342 4.6342 5.1132 5.1132 5.2869 5.2869 5.5710 5.5710 8.4914 8.4914 9.8194 9.8194 k = 0.0000 0.0000 0.0000 ( 8287 PWs) bands (ev): -13.7965 -13.7965 -13.3859 -13.3859 -12.0298 -12.0298 -11.9531 -11.9531 -11.7659 -11.7659 -11.5598 -11.5598 -9.5224 -9.5224 -9.2938 -9.2938 -3.1443 -3.1443 -2.8546 -2.8546 -2.7236 -2.7236 -2.4703 -2.4703 -1.2879 -1.2879 -0.5794 -0.5794 -0.4590 -0.4590 -0.3575 -0.3575 -0.2034 -0.2034 -0.0706 -0.0706 0.1356 0.1356 0.3223 0.3223 0.5874 0.5874 0.7428 0.7428 0.7981 0.7981 0.9203 0.9203 0.9874 0.9874 1.1254 1.1254 1.7159 1.7159 1.8029 1.8029 4.6342 4.6342 5.1132 5.1132 5.2869 5.2869 5.5710 5.5710 8.4914 8.4914 9.8194 9.8194 k = 0.0000 0.0162-0.0049 ( 8289 PWs) bands (ev): -13.7961 -13.7961 -13.3859 -13.3859 -12.0296 -12.0296 -11.9539 -11.9539 -11.7661 -11.7661 -11.5597 -11.5597 -9.5226 -9.5226 -9.2931 -9.2931 -3.1450 -3.1450 -2.8555 -2.8555 -2.7246 -2.7246 -2.4711 -2.4711 -1.2883 -1.2883 -0.5789 -0.5789 -0.4598 -0.4598 -0.3548 -0.3548 -0.2035 -0.2035 -0.0692 -0.0692 0.1391 0.1391 0.3240 0.3240 0.5866 0.5866 0.7406 0.7406 0.7962 0.7962 0.9226 0.9226 0.9896 0.9896 1.1249 1.1249 1.7156 1.7156 1.8034 1.8034 4.6325 4.6325 5.1109 5.1109 5.2853 5.2853 5.5692 5.5692 8.4939 8.4939 9.8218 9.8218 k = 0.0000 0.0324-0.0098 ( 8300 PWs) bands (ev): -13.7951 -13.7951 -13.3860 -13.3860 -12.0290 -12.0290 -11.9561 -11.9561 -11.7669 -11.7669 -11.5594 -11.5594 -9.5231 -9.5231 -9.2911 -9.2911 -3.1470 -3.1470 -2.8580 -2.8580 -2.7278 -2.7278 -2.4738 -2.4738 -1.2895 -1.2895 -0.5774 -0.5774 -0.4616 -0.4616 -0.3476 -0.3476 -0.2035 -0.2035 -0.0649 -0.0649 0.1494 0.1494 0.3291 0.3291 0.5841 0.5841 0.7349 0.7349 0.7905 0.7905 0.9295 0.9295 0.9957 0.9957 1.1232 1.1232 1.7146 1.7146 1.8048 1.8048 4.6274 4.6274 5.1040 5.1040 5.2807 5.2807 5.5640 5.5640 8.5014 8.5014 9.8290 9.8290 k = 0.0000 0.0485-0.0148 ( 8306 PWs) bands (ev): -13.7933 -13.7933 -13.3861 -13.3861 -12.0280 -12.0280 -11.9599 -11.9599 -11.7682 -11.7682 -11.5589 -11.5589 -9.5240 -9.5240 -9.2878 -9.2878 -3.1505 -3.1505 -2.8621 -2.8621 -2.7330 -2.7330 -2.4781 -2.4781 -1.2916 -1.2916 -0.5753 -0.5753 -0.4631 -0.4631 -0.3377 -0.3377 -0.2024 -0.2024 -0.0574 -0.0574 0.1653 0.1653 0.3378 0.3378 0.5796 0.5796 0.7275 0.7275 0.7813 0.7813 0.9401 0.9401 1.0048 1.0048 1.1207 1.1207 1.7131 1.7131 1.8072 1.8072 4.6190 4.6190 5.0926 5.0926 5.2730 5.2730 5.5555 5.5555 8.5138 8.5138 9.8407 9.8407 k = 0.0000 0.0647-0.0197 ( 8306 PWs) bands (ev): -13.7908 -13.7908 -13.3863 -13.3863 -12.0267 -12.0267 -11.9651 -11.9651 -11.7700 -11.7700 -11.5580 -11.5580 -9.5252 -9.5252 -9.2833 -9.2833 -3.1552 -3.1552 -2.8678 -2.8678 -2.7402 -2.7402 -2.4841 -2.4841 -1.2945 -1.2945 -0.5730 -0.5730 -0.4629 -0.4629 -0.3276 -0.3276 -0.1982 -0.1982 -0.0464 -0.0464 0.1857 0.1857 0.3498 0.3498 0.5726 0.5726 0.7192 0.7192 0.7703 0.7703 0.9524 0.9524 1.0161 1.0161 1.1177 1.1177 1.7112 1.7112 1.8102 1.8102 4.6073 4.6073 5.0770 5.0770 5.2621 5.2621 5.5437 5.5437 8.5310 8.5310 9.8560 9.8560 k = 0.0000 0.0809-0.0246 ( 8310 PWs) bands (ev): -13.7876 -13.7876 -13.3865 -13.3865 -12.0250 -12.0250 -11.9715 -11.9715 -11.7725 -11.7725 -11.5569 -11.5569 -9.5267 -9.5267 -9.2776 -9.2776 -3.1612 -3.1612 -2.8749 -2.8749 -2.7493 -2.7493 -2.4916 -2.4916 -1.2981 -1.2981 -0.5710 -0.5710 -0.4597 -0.4597 -0.3192 -0.3192 -0.1892 -0.1892 -0.0319 -0.0319 0.2090 0.2090 0.3653 0.3653 0.5631 0.5631 0.7097 0.7097 0.7604 0.7604 0.9642 0.9642 1.0296 1.0296 1.1148 1.1148 1.7089 1.7089 1.8139 1.8139 4.5926 4.5926 5.0574 5.0574 5.2480 5.2480 5.5290 5.5290 8.5528 8.5528 9.8724 9.8724 k = 0.0000 0.0971-0.0295 ( 8308 PWs) bands (ev): -13.7837 -13.7837 -13.3867 -13.3867 -12.0232 -12.0232 -11.9791 -11.9791 -11.7756 -11.7756 -11.5555 -11.5555 -9.5284 -9.5284 -9.2708 -9.2708 -3.1684 -3.1684 -2.8833 -2.8833 -2.7600 -2.7600 -2.5006 -2.5006 -1.3024 -1.3024 -0.5699 -0.5699 -0.4527 -0.4527 -0.3136 -0.3136 -0.1740 -0.1740 -0.0140 -0.0140 0.2340 0.2340 0.3840 0.3840 0.5515 0.5515 0.6971 0.6971 0.7549 0.7549 0.9732 0.9732 1.0455 1.0455 1.1128 1.1128 1.7065 1.7065 1.8180 1.8180 4.5749 4.5749 5.0341 5.0341 5.2307 5.2307 5.5115 5.5115 8.5790 8.5790 9.8828 9.8828 k = 0.0000 0.1133-0.0345 ( 8309 PWs) bands (ev): -13.7793 -13.7793 -13.3870 -13.3870 -12.0214 -12.0214 -11.9874 -11.9874 -11.7793 -11.7793 -11.5538 -11.5538 -9.5304 -9.5304 -9.2630 -9.2630 -3.1766 -3.1766 -2.8928 -2.8928 -2.7724 -2.7724 -2.5108 -2.5108 -1.3073 -1.3073 -0.5702 -0.5702 -0.4416 -0.4416 -0.3103 -0.3103 -0.1530 -0.1530 0.0068 0.0068 0.2595 0.2595 0.4053 0.4053 0.5384 0.5384 0.6812 0.6812 0.7552 0.7552 0.9779 0.9779 1.0637 1.0637 1.1123 1.1123 1.7040 1.7040 1.8223 1.8223 4.5544 4.5544 5.0073 5.0073 5.2102 5.2102 5.4915 5.4915 8.6093 8.6093 9.8808 9.8808 k = 0.0000 0.1294-0.0394 ( 8309 PWs) bands (ev): -13.7742 -13.7742 -13.3873 -13.3873 -12.0204 -12.0204 -11.9957 -11.9957 -11.7836 -11.7836 -11.5517 -11.5517 -9.5327 -9.5327 -9.2543 -9.2543 -3.1858 -3.1858 -2.9034 -2.9034 -2.7861 -2.7861 -2.5221 -2.5221 -1.3127 -1.3127 -0.5719 -0.5719 -0.4265 -0.4265 -0.3080 -0.3080 -0.1272 -0.1272 0.0302 0.0302 0.2846 0.2846 0.4278 0.4278 0.5252 0.5252 0.6634 0.6634 0.7606 0.7606 0.9782 0.9782 1.0829 1.0829 1.1142 1.1142 1.7015 1.7015 1.8268 1.8268 4.5314 4.5314 4.9776 4.9776 5.1866 5.1866 5.4692 5.4692 8.6434 8.6434 9.8711 9.8711 k = 0.0000 0.1456-0.0443 ( 8309 PWs) bands (ev): -13.7686 -13.7686 -13.3877 -13.3877 -12.0223 -12.0223 -12.0018 -12.0018 -11.7885 -11.7885 -11.5493 -11.5493 -9.5351 -9.5351 -9.2449 -9.2449 -3.1959 -3.1959 -2.9147 -2.9147 -2.8010 -2.8010 -2.5345 -2.5345 -1.3184 -1.3184 -0.5749 -0.5749 -0.4079 -0.4079 -0.3053 -0.3053 -0.0977 -0.0977 0.0558 0.0558 0.3085 0.3085 0.4480 0.4480 0.5148 0.5148 0.6460 0.6460 0.7697 0.7697 0.9751 0.9751 1.0990 1.0990 1.1218 1.1218 1.6992 1.6992 1.8313 1.8313 4.5060 4.5060 4.9450 4.9450 5.1602 5.1602 5.4449 5.4449 8.6809 8.6809 9.8578 9.8578 k = 0.0000 0.1618-0.0492 ( 8304 PWs) bands (ev): -13.7624 -13.7624 -13.3881 -13.3881 -12.0295 -12.0295 -12.0032 -12.0032 -11.7939 -11.7939 -11.5467 -11.5467 -9.5378 -9.5378 -9.2347 -9.2347 -3.2066 -3.2066 -2.9267 -2.9267 -2.8169 -2.8169 -2.5476 -2.5476 -1.3243 -1.3243 -0.5792 -0.5792 -0.3863 -0.3863 -0.3011 -0.3011 -0.0656 -0.0656 0.0828 0.0828 0.3306 0.3306 0.4581 0.4581 0.5132 0.5132 0.6316 0.6316 0.7815 0.7815 0.9698 0.9698 1.1070 1.1070 1.1389 1.1389 1.6971 1.6971 1.8357 1.8357 4.4786 4.4786 4.9101 4.9101 5.1312 5.1312 5.4188 5.4188 8.7215 8.7215 9.8421 9.8421 k = 0.0000 0.1780-0.0542 ( 8298 PWs) bands (ev): -13.7558 -13.7558 -13.3885 -13.3885 -12.0405 -12.0405 -12.0014 -12.0014 -11.7997 -11.7997 -11.5438 -11.5438 -9.5406 -9.5406 -9.2241 -9.2241 -3.2179 -3.2179 -2.9392 -2.9392 -2.8335 -2.8335 -2.5615 -2.5615 -1.3303 -1.3303 -0.5845 -0.5845 -0.3627 -0.3627 -0.2944 -0.2944 -0.0315 -0.0315 0.1108 0.1108 0.3499 0.3499 0.4547 0.4547 0.5206 0.5206 0.6240 0.6240 0.7956 0.7956 0.9642 0.9642 1.1107 1.1107 1.1606 1.1606 1.6954 1.6954 1.8400 1.8400 4.4493 4.4493 4.8732 4.8732 5.1001 5.1001 5.3912 5.3912 8.7646 8.7646 9.8245 9.8245 k = 0.0000 0.1942-0.0591 ( 8303 PWs) bands (ev): -13.7488 -13.7488 -13.3889 -13.3889 -12.0531 -12.0531 -11.9983 -11.9983 -11.8058 -11.8058 -11.5406 -11.5406 -9.5435 -9.5435 -9.2130 -9.2130 -3.2297 -3.2297 -2.9519 -2.9519 -2.8507 -2.8507 -2.5758 -2.5758 -1.3362 -1.3362 -0.5906 -0.5906 -0.3383 -0.3383 -0.2841 -0.2841 0.0039 0.0039 0.1389 0.1389 0.3651 0.3651 0.4464 0.4464 0.5260 0.5260 0.6264 0.6264 0.8112 0.8112 0.9601 0.9601 1.1130 1.1130 1.1834 1.1834 1.6940 1.6940 1.8439 1.8439 4.4186 4.4186 4.8345 4.8345 5.0672 5.0672 5.3622 5.3622 8.8098 8.8098 9.8052 9.8052 k = 0.0000 0.2103-0.0640 ( 8300 PWs) bands (ev): -13.7415 -13.7415 -13.3893 -13.3893 -12.0668 -12.0668 -11.9947 -11.9947 -11.8122 -11.8122 -11.5374 -11.5374 -9.5464 -9.5464 -9.2017 -9.2017 -3.2419 -3.2419 -2.9647 -2.9647 -2.8682 -2.8682 -2.5906 -2.5906 -1.3419 -1.3419 -0.5974 -0.5974 -0.3149 -0.3149 -0.2688 -0.2688 0.0401 0.0401 0.1661 0.1661 0.3733 0.3733 0.4402 0.4402 0.5262 0.5262 0.6368 0.6368 0.8281 0.8281 0.9595 0.9595 1.1144 1.1144 1.2061 1.2061 1.6931 1.6931 1.8475 1.8475 4.3866 4.3866 4.7945 4.7945 5.0331 5.0331 5.3321 5.3321 8.8565 8.8565 9.7846 9.7846 k = 0.0000 0.2265-0.0689 ( 8294 PWs) bands (ev): -13.7338 -13.7338 -13.3897 -13.3897 -12.0809 -12.0809 -11.9908 -11.9908 -11.8186 -11.8186 -11.5340 -11.5340 -9.5495 -9.5495 -9.1902 -9.1902 -3.2542 -3.2542 -2.9775 -2.9775 -2.8859 -2.8859 -2.6055 -2.6055 -1.3474 -1.3474 -0.6048 -0.6048 -0.2941 -0.2941 -0.2475 -0.2475 0.0764 0.0764 0.1913 0.1913 0.3729 0.3729 0.4386 0.4386 0.5264 0.5264 0.6487 0.6487 0.8456 0.8456 0.9646 0.9646 1.1151 1.1151 1.2283 1.2283 1.6927 1.6927 1.8507 1.8507 4.3538 4.3538 4.7534 4.7534 4.9983 4.9983 5.3009 5.3009 8.9039 8.9039 9.7628 9.7628 k = 0.0000 0.2427-0.0739 ( 8290 PWs) bands (ev): -13.7260 -13.7260 -13.3902 -13.3902 -12.0955 -12.0955 -11.9867 -11.9867 -11.8250 -11.8250 -11.5306 -11.5306 -9.5525 -9.5525 -9.1787 -9.1787 -3.2665 -3.2665 -2.9900 -2.9900 -2.9035 -2.9035 -2.6205 -2.6205 -1.3524 -1.3524 -0.6124 -0.6124 -0.2755 -0.2755 -0.2211 -0.2211 0.1121 0.1121 0.2133 0.2133 0.3662 0.3662 0.4398 0.4398 0.5312 0.5312 0.6570 0.6570 0.8634 0.8634 0.9768 0.9768 1.1150 1.1150 1.2495 1.2495 1.6929 1.6929 1.8534 1.8534 4.3204 4.3204 4.7118 4.7118 4.9633 4.9633 5.2691 5.2691 8.9514 8.9514 9.7404 9.7404 k = 0.0000 0.2589-0.0788 ( 8293 PWs) bands (ev): -13.7180 -13.7180 -13.3906 -13.3906 -12.1102 -12.1102 -11.9826 -11.9826 -11.8314 -11.8314 -11.5272 -11.5272 -9.5556 -9.5556 -9.1673 -9.1673 -3.2788 -3.2788 -3.0022 -3.0022 -2.9209 -2.9209 -2.6353 -2.6353 -1.3569 -1.3569 -0.6201 -0.6201 -0.2575 -0.2575 -0.1918 -0.1918 0.1460 0.1460 0.2307 0.2307 0.3569 0.3569 0.4422 0.4422 0.5419 0.5419 0.6597 0.6597 0.8812 0.8812 0.9961 0.9961 1.1143 1.1143 1.2697 1.2697 1.6937 1.6937 1.8556 1.8556 4.2867 4.2867 4.6698 4.6698 4.9287 4.9287 5.2366 5.2366 8.9981 8.9981 9.7180 9.7180 k = 0.0000 0.2751-0.0837 ( 8292 PWs) bands (ev): -13.7100 -13.7100 -13.3910 -13.3910 -12.1249 -12.1249 -11.9784 -11.9784 -11.8376 -11.8376 -11.5239 -11.5239 -9.5586 -9.5586 -9.1562 -9.1562 -3.2909 -3.2909 -3.0139 -3.0139 -2.9379 -2.9379 -2.6499 -2.6499 -1.3610 -1.3610 -0.6279 -0.6279 -0.2390 -0.2390 -0.1613 -0.1613 0.1758 0.1758 0.2442 0.2442 0.3471 0.3471 0.4468 0.4468 0.5575 0.5575 0.6572 0.6572 0.8986 0.8986 1.0211 1.0211 1.1136 1.1136 1.2885 1.2885 1.6951 1.6951 1.8573 1.8573 4.2532 4.2532 4.6280 4.6280 4.8949 4.8949 5.2039 5.2039 9.0430 9.0430 9.6962 9.6962 k = 0.0000 0.2912-0.0886 ( 8288 PWs) bands (ev): -13.7021 -13.7021 -13.3914 -13.3914 -12.1394 -12.1394 -11.9744 -11.9744 -11.8436 -11.8436 -11.5206 -11.5206 -9.5615 -9.5615 -9.1453 -9.1453 -3.3027 -3.3027 -3.0249 -3.0249 -2.9544 -2.9544 -2.6641 -2.6641 -1.3646 -1.3646 -0.6355 -0.6355 -0.2197 -0.2197 -0.1309 -0.1309 0.1975 0.1975 0.2570 0.2570 0.3378 0.3378 0.4546 0.4546 0.5762 0.5762 0.6510 0.6510 0.9154 0.9154 1.0489 1.0489 1.1138 1.1138 1.3060 1.3060 1.6971 1.6971 1.8584 1.8584 4.2202 4.2202 4.5867 4.5867 4.8626 4.8626 5.1710 5.1710 9.0852 9.0852 9.6760 9.6760 k = 0.0000 0.3074-0.0936 ( 8282 PWs) bands (ev): -13.6943 -13.6943 -13.3918 -13.3918 -12.1536 -12.1536 -11.9704 -11.9704 -11.8492 -11.8492 -11.5175 -11.5175 -9.5644 -9.5644 -9.1349 -9.1349 -3.3140 -3.3140 -3.0352 -3.0352 -2.9702 -2.9702 -2.6777 -2.6777 -1.3676 -1.3676 -0.6429 -0.6429 -0.1993 -0.1993 -0.1014 -0.1014 0.2070 0.2070 0.2729 0.2729 0.3296 0.3296 0.4652 0.4652 0.5965 0.5965 0.6437 0.6437 0.9313 0.9313 1.0742 1.0742 1.1185 1.1185 1.3219 1.3219 1.6997 1.6997 1.8589 1.8589 4.1880 4.1880 4.5464 4.5464 4.8321 4.8321 5.1385 5.1385 9.1235 9.1235 9.6579 9.6579 k = 0.0000 0.3236-0.0985 ( 8282 PWs) bands (ev): -13.6867 -13.6867 -13.3922 -13.3922 -12.1673 -12.1673 -11.9667 -11.9667 -11.8545 -11.8545 -11.5146 -11.5146 -9.5671 -9.5671 -9.1251 -9.1251 -3.3247 -3.3247 -3.0447 -3.0447 -2.9852 -2.9852 -2.6906 -2.6906 -1.3701 -1.3701 -0.6499 -0.6499 -0.1781 -0.1781 -0.0736 -0.0736 0.2072 0.2072 0.2874 0.2874 0.3254 0.3254 0.4775 0.4775 0.6143 0.6143 0.6404 0.6404 0.9456 0.9456 1.0882 1.0882 1.1356 1.1356 1.3363 1.3363 1.7027 1.7027 1.8589 1.8589 4.1570 4.1570 4.5074 4.5074 4.8039 4.8039 5.1064 5.1064 9.1569 9.1569 9.6429 9.6429 k = 0.0000 0.3398-0.1034 ( 8282 PWs) bands (ev): -13.6795 -13.6795 -13.3925 -13.3925 -12.1802 -12.1802 -11.9632 -11.9632 -11.8594 -11.8594 -11.5118 -11.5118 -9.5696 -9.5696 -9.1159 -9.1159 -3.3348 -3.3348 -3.0533 -3.0533 -2.9994 -2.9994 -2.7027 -2.7027 -1.3722 -1.3722 -0.6565 -0.6565 -0.1562 -0.1562 -0.0481 -0.0481 0.2033 0.2033 0.2911 0.2911 0.3299 0.3299 0.4907 0.4907 0.6185 0.6185 0.6534 0.6534 0.9575 0.9575 1.0924 1.0924 1.1628 1.1628 1.3490 1.3490 1.7061 1.7061 1.8584 1.8584 4.1277 4.1277 4.4702 4.4702 4.7782 4.7782 5.0753 5.0753 9.1845 9.1845 9.6315 9.6315 k = 0.0000 0.3560-0.1083 ( 8280 PWs) bands (ev): -13.6727 -13.6727 -13.3928 -13.3928 -12.1924 -12.1924 -11.9599 -11.9599 -11.8638 -11.8638 -11.5093 -11.5093 -9.5720 -9.5720 -9.1074 -9.1074 -3.3441 -3.3441 -3.0608 -3.0608 -3.0125 -3.0125 -2.7139 -2.7139 -1.3738 -1.3738 -0.6626 -0.6626 -0.1337 -0.1337 -0.0257 -0.0257 0.1986 0.1986 0.2858 0.2858 0.3384 0.3384 0.5045 0.5045 0.6157 0.6157 0.6763 0.6763 0.9662 0.9662 1.0947 1.0947 1.1918 1.1918 1.3602 1.3602 1.7099 1.7099 1.8574 1.8574 4.1003 4.1003 4.4352 4.4352 4.7554 4.7554 5.0455 5.0455 9.2059 9.2059 9.6240 9.6240 k = 0.0000 0.3721-0.1133 ( 8289 PWs) bands (ev): -13.6664 -13.6664 -13.3931 -13.3931 -12.2035 -12.2035 -11.9570 -11.9570 -11.8678 -11.8678 -11.5070 -11.5070 -9.5741 -9.5741 -9.0998 -9.0998 -3.3525 -3.3525 -3.0673 -3.0673 -3.0246 -3.0246 -2.7240 -2.7240 -1.3751 -1.3751 -0.6681 -0.6681 -0.1112 -0.1112 -0.0069 -0.0069 0.1946 0.1946 0.2781 0.2781 0.3434 0.3434 0.5191 0.5191 0.6138 0.6138 0.7010 0.7010 0.9710 0.9710 1.0978 1.0978 1.2196 1.2196 1.3699 1.3699 1.7139 1.7139 1.8560 1.8560 4.0753 4.0753 4.4029 4.4029 4.7357 4.7357 5.0173 5.0173 9.2212 9.2212 9.6202 9.6202 k = 0.0000 0.3883-0.1182 ( 8285 PWs) bands (ev): -13.6607 -13.6607 -13.3934 -13.3934 -12.2134 -12.2134 -11.9544 -11.9544 -11.8712 -11.8712 -11.5051 -11.5051 -9.5760 -9.5760 -9.0930 -9.0930 -3.3600 -3.3600 -3.0726 -3.0726 -3.0356 -3.0356 -2.7330 -2.7330 -1.3760 -1.3760 -0.6730 -0.6730 -0.0889 -0.0889 0.0081 0.0081 0.1921 0.1921 0.2700 0.2700 0.3431 0.3431 0.5344 0.5344 0.6135 0.6135 0.7257 0.7257 0.9717 0.9717 1.1027 1.1027 1.2446 1.2446 1.3781 1.3781 1.7179 1.7179 1.8543 1.8543 4.0528 4.0528 4.3738 4.3738 4.7190 4.7190 4.9914 4.9914 9.2309 9.2309 9.6195 9.6195 k = 0.0000 0.4045-0.1231 ( 8282 PWs) bands (ev): -13.6558 -13.6558 -13.3936 -13.3936 -12.2221 -12.2221 -11.9522 -11.9522 -11.8741 -11.8741 -11.5033 -11.5033 -9.5777 -9.5777 -9.0871 -9.0871 -3.3664 -3.3664 -3.0768 -3.0768 -3.0454 -3.0454 -2.7407 -2.7407 -1.3767 -1.3767 -0.6772 -0.6772 -0.0677 -0.0677 0.0196 0.0196 0.1907 0.1907 0.2626 0.2626 0.3385 0.3385 0.5498 0.5498 0.6142 0.6142 0.7496 0.7496 0.9686 0.9686 1.1091 1.1091 1.2662 1.2662 1.3849 1.3849 1.7219 1.7219 1.8523 1.8523 4.0334 4.0334 4.3482 4.3482 4.7054 4.7054 4.9681 4.9681 9.2364 9.2364 9.6209 9.6209 k = 0.0000 0.4207-0.1280 ( 8277 PWs) bands (ev): -13.6516 -13.6516 -13.3938 -13.3938 -12.2294 -12.2294 -11.9504 -11.9504 -11.8765 -11.8765 -11.5019 -11.5019 -9.5790 -9.5790 -9.0823 -9.0823 -3.3718 -3.3718 -3.0799 -3.0799 -3.0539 -3.0539 -2.7472 -2.7472 -1.3771 -1.3771 -0.6808 -0.6808 -0.0483 -0.0483 0.0282 0.0282 0.1896 0.1896 0.2564 0.2564 0.3316 0.3316 0.5645 0.5645 0.6151 0.6151 0.7718 0.7718 0.9627 0.9627 1.1160 1.1160 1.2841 1.2841 1.3905 1.3905 1.7257 1.7257 1.8504 1.8504 4.0171 4.0171 4.3266 4.3266 4.6948 4.6948 4.9480 4.9480 9.2387 9.2387 9.6235 9.6235 k = 0.0000 0.4369-0.1330 ( 8274 PWs) bands (ev): -13.6483 -13.6483 -13.3939 -13.3939 -12.2351 -12.2351 -11.9489 -11.9489 -11.8783 -11.8783 -11.5008 -11.5008 -9.5801 -9.5801 -9.0784 -9.0784 -3.3760 -3.3760 -3.0818 -3.0818 -3.0610 -3.0610 -2.7523 -2.7523 -1.3774 -1.3774 -0.6835 -0.6835 -0.0321 -0.0321 0.0352 0.0352 0.1876 0.1876 0.2521 0.2521 0.3241 0.3241 0.5775 0.5775 0.6157 0.6157 0.7915 0.7915 0.9553 0.9553 1.1225 1.1225 1.2978 1.2978 1.3948 1.3948 1.7290 1.7290 1.8486 1.8486 4.0043 4.0043 4.3093 4.3093 4.6870 4.6870 4.9316 4.9316 9.2392 9.2392 9.6264 9.6264 k = 0.0000 0.4530-0.1379 ( 8276 PWs) bands (ev): -13.6458 -13.6458 -13.3940 -13.3940 -12.2393 -12.2393 -11.9479 -11.9479 -11.8796 -11.8796 -11.5000 -11.5000 -9.5809 -9.5809 -9.0757 -9.0757 -3.3791 -3.3791 -3.0827 -3.0827 -3.0666 -3.0666 -2.7559 -2.7559 -1.3776 -1.3776 -0.6855 -0.6855 -0.0201 -0.0201 0.0413 0.0413 0.1844 0.1844 0.2499 0.2499 0.3177 0.3177 0.5883 0.5883 0.6154 0.6154 0.8077 0.8077 0.9477 0.9477 1.1279 1.1279 1.3075 1.3075 1.3980 1.3980 1.7316 1.7316 1.8471 1.8471 3.9950 3.9950 4.2968 4.2968 4.6816 4.6816 4.9195 4.9195 9.2388 9.2388 9.6289 9.6289 k = 0.0000 0.4692-0.1428 ( 8270 PWs) bands (ev): -13.6444 -13.6444 -13.3941 -13.3941 -12.2419 -12.2419 -11.9473 -11.9473 -11.8804 -11.8804 -11.4995 -11.4995 -9.5814 -9.5814 -9.0740 -9.0740 -3.3809 -3.3809 -3.0828 -3.0828 -3.0704 -3.0704 -2.7581 -2.7581 -1.3777 -1.3777 -0.6867 -0.6867 -0.0130 -0.0130 0.0460 0.0460 0.1811 0.1811 0.2492 0.2492 0.3135 0.3135 0.5960 0.5960 0.6143 0.6143 0.8187 0.8187 0.9417 0.9417 1.1313 1.1313 1.3132 1.3132 1.4000 1.4000 1.7333 1.7333 1.8461 1.8461 3.9893 3.9893 4.2891 4.2891 4.6785 4.6785 4.9120 4.9120 9.2383 9.2383 9.6306 9.6306 k = 0.0000 0.4854-0.1477 ( 8272 PWs) bands (ev): -13.6439 -13.6439 -13.3941 -13.3941 -12.2427 -12.2427 -11.9471 -11.9471 -11.8807 -11.8807 -11.4994 -11.4994 -9.5816 -9.5816 -9.0734 -9.0734 -3.3815 -3.3815 -3.0827 -3.0827 -3.0718 -3.0718 -2.7589 -2.7589 -1.3777 -1.3777 -0.6871 -0.6871 -0.0107 -0.0107 0.0478 0.0478 0.1797 0.1797 0.2491 0.2491 0.3120 0.3120 0.5990 0.5990 0.6134 0.6134 0.8226 0.8226 0.9394 0.9394 1.1325 1.1325 1.3151 1.3151 1.4007 1.4007 1.7339 1.7339 1.8457 1.8457 3.9875 3.9875 4.2865 4.2865 4.6775 4.6775 4.9095 4.9095 9.2381 9.2381 9.6312 9.6312 k = 0.5000 0.4070-0.2320 ( 8326 PWs) bands (ev): -13.5460 -13.5460 -13.4079 -13.4079 -12.0963 -12.0963 -12.0721 -12.0721 -11.8825 -11.8825 -11.5413 -11.5413 -9.7042 -9.7042 -9.2025 -9.2025 -3.4033 -3.4033 -2.9573 -2.9573 -2.6733 -2.6733 -2.3906 -2.3906 -1.8007 -1.8007 -1.4667 -1.4667 -0.4504 -0.4504 -0.3028 -0.3028 0.1049 0.1049 0.1956 0.1956 0.6263 0.6263 0.8386 0.8386 0.9259 0.9259 0.9513 0.9513 1.1257 1.1257 1.1701 1.1701 1.2180 1.2180 1.2313 1.2313 2.0085 2.0085 2.2122 2.2122 4.4014 4.4014 4.4523 4.4523 4.9897 4.9897 5.3458 5.3458 9.3789 9.3789 10.0100 10.0100 k = 0.4875 0.3969-0.2262 ( 8325 PWs) bands (ev): -13.5462 -13.5462 -13.4080 -13.4080 -12.0997 -12.0997 -12.0686 -12.0686 -11.8828 -11.8828 -11.5409 -11.5409 -9.7040 -9.7040 -9.2019 -9.2019 -3.4029 -3.4029 -2.9575 -2.9575 -2.6762 -2.6762 -2.3927 -2.3927 -1.8006 -1.8006 -1.4653 -1.4653 -0.4472 -0.4472 -0.3004 -0.3004 0.1056 0.1056 0.1976 0.1976 0.6258 0.6258 0.8334 0.8334 0.9240 0.9240 0.9531 0.9531 1.1272 1.1272 1.1706 1.1706 1.2184 1.2184 1.2314 1.2314 2.0078 2.0078 2.2120 2.2120 4.4008 4.4008 4.4533 4.4533 4.9868 4.9868 5.3418 5.3418 9.3800 9.3800 10.0083 10.0083 k = 0.4750 0.3867-0.2204 ( 8325 PWs) bands (ev): -13.5467 -13.5467 -13.4082 -13.4082 -12.1067 -12.1067 -12.0613 -12.0613 -11.8837 -11.8837 -11.5396 -11.5396 -9.7036 -9.7036 -9.2003 -9.2003 -3.4020 -3.4020 -2.9581 -2.9581 -2.6849 -2.6849 -2.3988 -2.3988 -1.8001 -1.8001 -1.4610 -1.4610 -0.4379 -0.4379 -0.2936 -0.2936 0.1075 0.1075 0.2037 0.2037 0.6242 0.6242 0.8185 0.8185 0.9200 0.9200 0.9566 0.9566 1.1308 1.1308 1.1719 1.1719 1.2195 1.2195 1.2324 1.2324 2.0056 2.0056 2.2116 2.2116 4.3990 4.3990 4.4562 4.4562 4.9782 4.9782 5.3299 5.3299 9.3833 9.3833 10.0033 10.0033 k = 0.4625 0.3765-0.2146 ( 8319 PWs) bands (ev): -13.5478 -13.5478 -13.4086 -13.4086 -12.1148 -12.1148 -12.0527 -12.0527 -11.8851 -11.8851 -11.5376 -11.5376 -9.7028 -9.7028 -9.1976 -9.1976 -3.4004 -3.4004 -2.9593 -2.9593 -2.6988 -2.6988 -2.4087 -2.4087 -1.7991 -1.7991 -1.4540 -1.4540 -0.4225 -0.4225 -0.2830 -0.2830 0.1108 0.1108 0.2138 0.2138 0.6216 0.6216 0.7960 0.7960 0.9156 0.9156 0.9595 0.9595 1.1351 1.1351 1.1738 1.1738 1.2205 1.2205 1.2355 1.2355 2.0021 2.0021 2.2108 2.2108 4.3960 4.3960 4.4609 4.4609 4.9643 4.9643 5.3105 5.3105 9.3886 9.3886 9.9951 9.9951 k = 0.4500 0.3663-0.2088 ( 8320 PWs) bands (ev): -13.5492 -13.5492 -13.4092 -13.4092 -12.1228 -12.1228 -12.0439 -12.0439 -11.8870 -11.8870 -11.5349 -11.5349 -9.7017 -9.7017 -9.1939 -9.1939 -3.3982 -3.3982 -2.9610 -2.9610 -2.7170 -2.7170 -2.4222 -2.4222 -1.7976 -1.7976 -1.4444 -1.4444 -0.4017 -0.4017 -0.2692 -0.2692 0.1154 0.1154 0.2275 0.2275 0.6179 0.6179 0.7682 0.7682 0.9110 0.9110 0.9611 0.9611 1.1384 1.1384 1.1760 1.1760 1.2207 1.2207 1.2419 1.2419 1.9972 1.9972 2.2096 2.2096 4.3917 4.3917 4.4670 4.4670 4.9460 4.9460 5.2843 5.2843 9.3958 9.3958 9.9838 9.9838 k = 0.4375 0.3562-0.2030 ( 8320 PWs) bands (ev): -13.5511 -13.5511 -13.4099 -13.4099 -12.1304 -12.1304 -12.0353 -12.0353 -11.8892 -11.8892 -11.5317 -11.5317 -9.7001 -9.7001 -9.1894 -9.1894 -3.3956 -3.3956 -2.9636 -2.9636 -2.7387 -2.7387 -2.4387 -2.4387 -1.7953 -1.7953 -1.4324 -1.4324 -0.3762 -0.3762 -0.2535 -0.2535 0.1213 0.1213 0.2447 0.2447 0.6130 0.6130 0.7370 0.7370 0.9060 0.9060 0.9613 0.9613 1.1399 1.1399 1.1780 1.1780 1.2206 1.2206 1.2516 1.2516 1.9910 1.9910 2.2079 2.2079 4.3859 4.3859 4.4738 4.4738 4.9244 4.9244 5.2521 5.2521 9.4046 9.4046 9.9696 9.9696 k = 0.4250 0.3460-0.1972 ( 8322 PWs) bands (ev): -13.5535 -13.5535 -13.4106 -13.4106 -12.1374 -12.1374 -12.0270 -12.0270 -11.8917 -11.8917 -11.5280 -11.5280 -9.6982 -9.6982 -9.1842 -9.1842 -3.3925 -3.3925 -2.9671 -2.9671 -2.7626 -2.7626 -2.4577 -2.4577 -1.7921 -1.7921 -1.4182 -1.4182 -0.3467 -0.3467 -0.2366 -0.2366 0.1283 0.1283 0.2647 0.2647 0.6067 0.6067 0.7042 0.7042 0.9005 0.9005 0.9605 0.9605 1.1395 1.1395 1.1789 1.1789 1.2213 1.2213 1.2632 1.2632 1.9836 1.9836 2.2056 2.2056 4.3785 4.3785 4.4808 4.4808 4.9008 4.9008 5.2150 5.2150 9.4147 9.4147 9.9528 9.9528 k = 0.4125 0.3358-0.1914 ( 8322 PWs) bands (ev): -13.5565 -13.5565 -13.4114 -13.4114 -12.1436 -12.1436 -12.0191 -12.0191 -11.8943 -11.8943 -11.5240 -11.5240 -9.6957 -9.6957 -9.1784 -9.1784 -3.3892 -3.3892 -2.9720 -2.9720 -2.7874 -2.7874 -2.4786 -2.4786 -1.7878 -1.7878 -1.4019 -1.4019 -0.3145 -0.3145 -0.2192 -0.2192 0.1360 0.1360 0.2867 0.2867 0.5982 0.5982 0.6719 0.6719 0.8944 0.8944 0.9590 0.9590 1.1374 1.1374 1.1782 1.1782 1.2235 1.2235 1.2757 1.2757 1.9750 1.9750 2.2027 2.2027 4.3692 4.3692 4.4869 4.4869 4.8769 4.8769 5.1745 5.1745 9.4255 9.4255 9.9339 9.9339 k = 0.4000 0.3256-0.1856 ( 8321 PWs) bands (ev): -13.5601 -13.5601 -13.4122 -13.4122 -12.1489 -12.1489 -12.0117 -12.0117 -11.8968 -11.8968 -11.5199 -11.5199 -9.6927 -9.6927 -9.1724 -9.1724 -3.3858 -3.3858 -2.9786 -2.9786 -2.8118 -2.8118 -2.5004 -2.5004 -1.7825 -1.7825 -1.3836 -1.3836 -0.2813 -0.2813 -0.2014 -0.2014 0.1442 0.1442 0.3097 0.3097 0.5857 0.5857 0.6431 0.6431 0.8876 0.8876 0.9569 0.9569 1.1344 1.1344 1.1755 1.1755 1.2278 1.2278 1.2880 1.2880 1.9653 1.9653 2.1990 2.1990 4.3579 4.3579 4.4909 4.4909 4.8545 4.8545 5.1323 5.1323 9.4362 9.4362 9.9134 9.9134 k = 0.3875 0.3155-0.1798 ( 8319 PWs) bands (ev): -13.5643 -13.5643 -13.4130 -13.4130 -12.1533 -12.1533 -12.0050 -12.0050 -11.8992 -11.8992 -11.5157 -11.5157 -9.6892 -9.6892 -9.1662 -9.1662 -3.3825 -3.3825 -2.9872 -2.9872 -2.8345 -2.8345 -2.5226 -2.5226 -1.7759 -1.7759 -1.3635 -1.3635 -0.2492 -0.2492 -0.1825 -0.1825 0.1525 0.1525 0.3319 0.3319 0.5662 0.5662 0.6222 0.6222 0.8801 0.8801 0.9547 0.9547 1.1310 1.1310 1.1709 1.1709 1.2339 1.2339 1.2995 1.2995 1.9547 1.9547 2.1945 2.1945 4.3444 4.3444 4.4916 4.4916 4.8354 4.8354 5.0902 5.0902 9.4459 9.4459 9.8922 9.8922 k = 0.3750 0.3053-0.1740 ( 8325 PWs) bands (ev): -13.5691 -13.5691 -13.4136 -13.4136 -12.1565 -12.1565 -11.9990 -11.9990 -11.9014 -11.9014 -11.5117 -11.5117 -9.6851 -9.6851 -9.1601 -9.1601 -3.3794 -3.3794 -2.9981 -2.9981 -2.8544 -2.8544 -2.5442 -2.5442 -1.7682 -1.7682 -1.3416 -1.3416 -0.2215 -0.2215 -0.1609 -0.1609 0.1606 0.1606 0.3510 0.3510 0.5407 0.5407 0.6096 0.6096 0.8718 0.8718 0.9525 0.9525 1.1277 1.1277 1.1650 1.1650 1.2408 1.2408 1.3098 1.3098 1.9433 1.9433 2.1889 2.1889 4.3287 4.3287 4.4878 4.4878 4.8209 4.8209 5.0505 5.0505 9.4532 9.4532 9.8712 9.8712 k = 0.3625 0.2951-0.1682 ( 8326 PWs) bands (ev): -13.5747 -13.5747 -13.4142 -13.4142 -12.1585 -12.1585 -11.9937 -11.9937 -11.9032 -11.9032 -11.5078 -11.5078 -9.6805 -9.6805 -9.1542 -9.1542 -3.3768 -3.3768 -3.0110 -3.0110 -2.8709 -2.8709 -2.5648 -2.5648 -1.7592 -1.7592 -1.3182 -1.3182 -0.2008 -0.2008 -0.1352 -0.1352 0.1687 0.1687 0.3647 0.3647 0.5143 0.5143 0.6018 0.6018 0.8626 0.8626 0.9506 0.9506 1.1252 1.1252 1.1582 1.1582 1.2477 1.2477 1.3186 1.3186 1.9311 1.9311 2.1824 2.1824 4.3110 4.3110 4.4791 4.4791 4.8110 4.8110 5.0157 5.0157 9.4564 9.4564 9.8519 9.8519 k = 0.3500 0.2849-0.1624 ( 8320 PWs) bands (ev): -13.5810 -13.5810 -13.4145 -13.4145 -12.1594 -12.1594 -11.9891 -11.9891 -11.9045 -11.9045 -11.5043 -11.5043 -9.6753 -9.6753 -9.1487 -9.1487 -3.3749 -3.3749 -3.0252 -3.0252 -2.8841 -2.8841 -2.5835 -2.5835 -1.7490 -1.7490 -1.2931 -1.2931 -0.1867 -0.1867 -0.1076 -0.1076 0.1766 0.1766 0.3704 0.3704 0.4914 0.4914 0.5965 0.5965 0.8522 0.8522 0.9493 0.9493 1.1238 1.1238 1.1511 1.1511 1.2537 1.2537 1.3260 1.3260 1.9184 1.9184 2.1747 2.1747 4.2920 4.2920 4.4658 4.4658 4.8048 4.8048 4.9887 4.9887 9.4535 9.4535 9.8359 9.8359 k = 0.3375 0.2748-0.1566 ( 8317 PWs) bands (ev): -13.5879 -13.5879 -13.4146 -13.4146 -12.1590 -12.1590 -11.9853 -11.9853 -11.9054 -11.9054 -11.5011 -11.5011 -9.6696 -9.6696 -9.1438 -9.1438 -3.3738 -3.3738 -3.0394 -3.0394 -2.8943 -2.8943 -2.6000 -2.6000 -1.7376 -1.7376 -1.2665 -1.2665 -0.1773 -0.1773 -0.0817 -0.0817 0.1846 0.1846 0.3672 0.3672 0.4742 0.4742 0.5921 0.5921 0.8403 0.8403 0.9485 0.9485 1.1232 1.1232 1.1446 1.1446 1.2575 1.2575 1.3321 1.3321 1.9053 1.9053 2.1659 2.1659 4.2722 4.2722 4.4492 4.4492 4.8003 4.8003 4.9717 4.9717 9.4428 9.4428 9.8242 9.8242 k = 0.3250 0.2646-0.1508 ( 8322 PWs) bands (ev): -13.5956 -13.5956 -13.4146 -13.4146 -12.1574 -12.1574 -11.9823 -11.9823 -11.9056 -11.9056 -11.4984 -11.4984 -9.6634 -9.6634 -9.1397 -9.1397 -3.3736 -3.3736 -3.0526 -3.0526 -2.9021 -2.9021 -2.6139 -2.6139 -1.7250 -1.7250 -1.2386 -1.2386 -0.1714 -0.1714 -0.0606 -0.0606 0.1931 0.1931 0.3568 0.3568 0.4624 0.4624 0.5876 0.5876 0.8266 0.8266 0.9480 0.9480 1.1213 1.1213 1.1409 1.1409 1.2584 1.2584 1.3370 1.3370 1.8920 1.8920 2.1558 2.1558 4.2528 4.2528 4.4310 4.4310 4.7962 4.7962 4.9659 4.9659 9.4234 9.4234 9.8170 9.8170 k = 0.3125 0.2544-0.1450 ( 8331 PWs) bands (ev): -13.6039 -13.6039 -13.4143 -13.4143 -12.1546 -12.1546 -11.9800 -11.9800 -11.9051 -11.9051 -11.4961 -11.4961 -9.6569 -9.6569 -9.1364 -9.1364 -3.3744 -3.3744 -3.0637 -3.0637 -2.9079 -2.9079 -2.6250 -2.6250 -1.7112 -1.7112 -1.2093 -1.2093 -0.1682 -0.1682 -0.0466 -0.0466 0.2020 0.2020 0.3433 0.3433 0.4541 0.4541 0.5822 0.5822 0.8111 0.8111 0.9474 0.9474 1.1160 1.1160 1.1422 1.1422 1.2556 1.2556 1.3404 1.3404 1.8786 1.8786 2.1445 2.1445 4.2346 4.2346 4.4136 4.4136 4.7923 4.7923 4.9705 4.9705 9.3956 9.3956 9.8130 9.8130 k = 0.3000 0.2442-0.1392 ( 8334 PWs) bands (ev): -13.6128 -13.6128 -13.4137 -13.4137 -12.1507 -12.1507 -11.9784 -11.9784 -11.9040 -11.9040 -11.4944 -11.4944 -9.6500 -9.6500 -9.1342 -9.1342 -3.3758 -3.3758 -3.0721 -3.0721 -2.9121 -2.9121 -2.6332 -2.6332 -1.6963 -1.6963 -1.1788 -1.1788 -0.1675 -0.1675 -0.0407 -0.0407 0.2103 0.2103 0.3305 0.3305 0.4479 0.4479 0.5757 0.5757 0.7935 0.7935 0.9461 0.9461 1.1083 1.1083 1.1465 1.1465 1.2490 1.2490 1.3419 1.3419 1.8654 1.8654 2.1321 2.1321 4.2186 4.2186 4.3991 4.3991 4.7897 4.7897 4.9832 4.9832 9.3605 9.3605 9.8101 9.8101 k = 0.2875 0.2340-0.1334 ( 8334 PWs) bands (ev): -13.6222 -13.6222 -13.4130 -13.4130 -12.1456 -12.1456 -11.9775 -11.9775 -11.9022 -11.9022 -11.4932 -11.4932 -9.6428 -9.6428 -9.1331 -9.1331 -3.3775 -3.3775 -3.0776 -3.0776 -2.9147 -2.9147 -2.6385 -2.6385 -1.6802 -1.6802 -1.1471 -1.1471 -0.1693 -0.1693 -0.0428 -0.0428 0.2158 0.2158 0.3207 0.3207 0.4434 0.4434 0.5686 0.5686 0.7740 0.7740 0.9437 0.9437 1.0995 1.0995 1.1506 1.1506 1.2388 1.2388 1.3412 1.3412 1.8525 1.8525 2.1185 2.1185 4.2056 4.2056 4.3899 4.3899 4.7895 4.7895 5.0017 5.0017 9.3197 9.3197 9.8074 9.8074 k = 0.2750 0.2239-0.1276 ( 8331 PWs) bands (ev): -13.6321 -13.6321 -13.4120 -13.4120 -12.1394 -12.1394 -11.9773 -11.9773 -11.8996 -11.8996 -11.4926 -11.4926 -9.6355 -9.6355 -9.1332 -9.1332 -3.3792 -3.3792 -3.0801 -3.0801 -2.9157 -2.9157 -2.6412 -2.6412 -1.6631 -1.6631 -1.1144 -1.1144 -0.1735 -0.1735 -0.0518 -0.0518 0.2159 0.2159 0.3151 0.3151 0.4399 0.4399 0.5625 0.5625 0.7528 0.7528 0.9402 0.9402 1.0905 1.0905 1.1520 1.1520 1.2256 1.2256 1.3379 1.3379 1.8401 1.8401 2.1038 2.1038 4.1965 4.1965 4.3876 4.3876 4.7925 4.7925 5.0240 5.0240 9.2746 9.2746 9.8049 9.8049 k = 0.2625 0.2137-0.1218 ( 8328 PWs) bands (ev): -13.6424 -13.6424 -13.4109 -13.4109 -12.1323 -12.1323 -11.9776 -11.9776 -11.8963 -11.8963 -11.4925 -11.4925 -9.6280 -9.6280 -9.1345 -9.1345 -3.3803 -3.3803 -3.0797 -3.0797 -2.9151 -2.9151 -2.6413 -2.6413 -1.6450 -1.6450 -1.0807 -1.0807 -0.1802 -0.1802 -0.0660 -0.0660 0.2087 0.2087 0.3135 0.3135 0.4361 0.4361 0.5598 0.5598 0.7303 0.7303 0.9355 0.9355 1.0813 1.0813 1.1479 1.1479 1.2104 1.2104 1.3319 1.3319 1.8281 1.8281 2.0883 2.0883 4.1920 4.1920 4.3935 4.3935 4.7989 4.7989 5.0488 5.0488 9.2267 9.2267 9.8033 9.8033 k = 0.2500 0.2035-0.1160 ( 8334 PWs) bands (ev): -13.6529 -13.6529 -13.4096 -13.4096 -12.1242 -12.1242 -11.9785 -11.9785 -11.8923 -11.8923 -11.4930 -11.4930 -9.6205 -9.6205 -9.1371 -9.1371 -3.3803 -3.3803 -3.0767 -3.0767 -2.9128 -2.9128 -2.6391 -2.6391 -1.6260 -1.6260 -1.0462 -1.0462 -0.1892 -0.1892 -0.0835 -0.0835 0.1947 0.1947 0.3142 0.3142 0.4297 0.4297 0.5626 0.5626 0.7069 0.7069 0.9298 0.9298 1.0719 1.0719 1.1368 1.1368 1.1939 1.1939 1.3233 1.3233 1.8167 1.8167 2.0719 2.0719 4.1929 4.1929 4.4079 4.4079 4.8086 4.8086 5.0751 5.0751 9.1768 9.1768 9.8034 9.8034 k = 0.2375 0.1933-0.1102 ( 8324 PWs) bands (ev): -13.6637 -13.6637 -13.4082 -13.4082 -12.1154 -12.1154 -11.9799 -11.9799 -11.8875 -11.8875 -11.4941 -11.4941 -9.6130 -9.6130 -9.1410 -9.1410 -3.3788 -3.3788 -3.0713 -3.0713 -2.9089 -2.9089 -2.6350 -2.6350 -1.6062 -1.6062 -1.0110 -1.0110 -0.2007 -0.2007 -0.1031 -0.1031 0.1750 0.1750 0.3151 0.3151 0.4200 0.4200 0.5711 0.5711 0.6836 0.6836 0.9231 0.9231 1.0622 1.0622 1.1189 1.1189 1.1754 1.1754 1.3125 1.3125 1.8058 1.8058 2.0550 2.0550 4.1996 4.1996 4.4308 4.4308 4.8217 4.8217 5.1023 5.1023 9.1258 9.1258 9.8054 9.8054 k = 0.2250 0.1832-0.1044 ( 8322 PWs) bands (ev): -13.6745 -13.6745 -13.4067 -13.4067 -12.1060 -12.1060 -11.9818 -11.9818 -11.8820 -11.8820 -11.4957 -11.4957 -9.6056 -9.6056 -9.1461 -9.1461 -3.3753 -3.3753 -3.0637 -3.0637 -2.9033 -2.9033 -2.6291 -2.6291 -1.5855 -1.5855 -0.9752 -0.9752 -0.2143 -0.2143 -0.1236 -0.1236 0.1511 0.1511 0.3136 0.3136 0.4085 0.4085 0.5819 0.5819 0.6624 0.6624 0.9154 0.9154 1.0515 1.0515 1.0962 1.0962 1.1539 1.1539 1.3000 1.3000 1.7954 1.7954 2.0376 2.0376 4.2126 4.2126 4.4614 4.4614 4.8380 4.8380 5.1300 5.1300 9.0743 9.0743 9.8096 9.8096 k = 0.2125 0.1730-0.0986 ( 8315 PWs) bands (ev): -13.6853 -13.6853 -13.4051 -13.4051 -12.0959 -12.0959 -11.9840 -11.9840 -11.8757 -11.8757 -11.4979 -11.4979 -9.5984 -9.5984 -9.1524 -9.1524 -3.3698 -3.3698 -3.0542 -3.0542 -2.8963 -2.8963 -2.6217 -2.6217 -1.5643 -1.5643 -0.9390 -0.9390 -0.2300 -0.2300 -0.1445 -0.1445 0.1240 0.1240 0.3069 0.3069 0.3987 0.3987 0.5867 0.5867 0.6496 0.6496 0.9069 0.9069 1.0375 1.0375 1.0723 1.0723 1.1292 1.1292 1.2860 1.2860 1.7855 1.7855 2.0200 2.0200 4.2315 4.2315 4.4989 4.4989 4.8574 4.8574 5.1579 5.1579 9.0230 9.0230 9.8160 9.8160 k = 0.2000 0.1628-0.0928 ( 8317 PWs) bands (ev): -13.6960 -13.6960 -13.4034 -13.4034 -12.0855 -12.0855 -11.9866 -11.9866 -11.8689 -11.8689 -11.5006 -11.5006 -9.5914 -9.5914 -9.1598 -9.1598 -3.3620 -3.3620 -3.0431 -3.0431 -2.8877 -2.8877 -2.6130 -2.6130 -1.5425 -1.5425 -0.9025 -0.9025 -0.2473 -0.2473 -0.1655 -0.1655 0.0948 0.0948 0.2926 0.2926 0.3934 0.3934 0.5762 0.5762 0.6526 0.6526 0.8974 0.8974 1.0169 1.0169 1.0505 1.0505 1.1036 1.1036 1.2705 1.2705 1.7760 1.7760 2.0023 2.0023 4.2558 4.2558 4.5421 4.5421 4.8800 4.8800 5.1858 5.1858 8.9722 8.9722 9.8243 9.8243 k = 0.1875 0.1526-0.0870 ( 8321 PWs) bands (ev): -13.7066 -13.7066 -13.4017 -13.4017 -12.0748 -12.0748 -11.9894 -11.9894 -11.8615 -11.8615 -11.5037 -11.5037 -9.5845 -9.5845 -9.1682 -9.1682 -3.3519 -3.3519 -3.0305 -3.0305 -2.8777 -2.8777 -2.6033 -2.6033 -1.5202 -1.5202 -0.8660 -0.8660 -0.2660 -0.2660 -0.1862 -0.1862 0.0642 0.0642 0.2709 0.2709 0.3926 0.3926 0.5556 0.5556 0.6641 0.6641 0.8870 0.8870 0.9896 0.9896 1.0289 1.0289 1.0822 1.0822 1.2535 1.2535 1.7670 1.7670 1.9845 1.9845 4.2848 4.2848 4.5897 4.5897 4.9055 4.9055 5.2136 5.2136 8.9224 8.9224 9.8344 9.8344 k = 0.1750 0.1425-0.0812 ( 8321 PWs) bands (ev): -13.7168 -13.7168 -13.4000 -13.4000 -12.0640 -12.0640 -11.9922 -11.9922 -11.8536 -11.8536 -11.5073 -11.5073 -9.5780 -9.5780 -9.1775 -9.1775 -3.3396 -3.3396 -3.0168 -3.0168 -2.8665 -2.8665 -2.5928 -2.5928 -1.4978 -1.4978 -0.8296 -0.8296 -0.2858 -0.2858 -0.2067 -0.2067 0.0331 0.0331 0.2441 0.2441 0.3936 0.3936 0.5328 0.5328 0.6752 0.6752 0.8755 0.8755 0.9590 0.9590 1.0037 1.0037 1.0689 1.0689 1.2352 1.2352 1.7585 1.7585 1.9669 1.9669 4.3173 4.3173 4.6404 4.6404 4.9340 4.9340 5.2414 5.2414 8.8739 8.8739 9.8458 9.8458 k = 0.1625 0.1323-0.0754 ( 8318 PWs) bands (ev): -13.7267 -13.7267 -13.3984 -13.3984 -12.0533 -12.0533 -11.9951 -11.9951 -11.8453 -11.8453 -11.5113 -11.5113 -9.5716 -9.5716 -9.1875 -9.1875 -3.3253 -3.3253 -3.0023 -3.0023 -2.8542 -2.8542 -2.5816 -2.5816 -1.4752 -1.4752 -0.7935 -0.7935 -0.3068 -0.3068 -0.2265 -0.2265 0.0022 0.0022 0.2142 0.2142 0.3928 0.3928 0.5116 0.5116 0.6807 0.6807 0.8634 0.8634 0.9275 0.9275 0.9780 0.9780 1.0623 1.0623 1.2156 1.2156 1.7505 1.7505 1.9495 1.9495 4.3521 4.3521 4.6928 4.6928 4.9651 4.9651 5.2691 5.2691 8.8270 8.8270 9.8581 9.8581 k = 0.1500 0.1221-0.0696 ( 8323 PWs) bands (ev): -13.7362 -13.7362 -13.3967 -13.3967 -12.0430 -12.0430 -11.9977 -11.9977 -11.8368 -11.8368 -11.5157 -11.5157 -9.5656 -9.5656 -9.1981 -9.1981 -3.3092 -3.3092 -2.9873 -2.9873 -2.8408 -2.8408 -2.5701 -2.5701 -1.4528 -1.4528 -0.7581 -0.7581 -0.3292 -0.3292 -0.2449 -0.2449 -0.0278 -0.0278 0.1825 0.1825 0.3867 0.3867 0.4951 0.4951 0.6773 0.6773 0.8506 0.8506 0.8981 0.8981 0.9560 0.9560 1.0599 1.0599 1.1949 1.1949 1.7432 1.7432 1.9325 1.9325 4.3879 4.3879 4.7455 4.7455 4.9986 4.9986 5.2969 5.2969 8.7821 8.7821 9.8708 9.8708 k = 0.1375 0.1119-0.0638 ( 8318 PWs) bands (ev): -13.7452 -13.7452 -13.3952 -13.3952 -12.0335 -12.0335 -11.9995 -11.9995 -11.8281 -11.8281 -11.5203 -11.5203 -9.5598 -9.5598 -9.2091 -9.2091 -3.2916 -3.2916 -2.9720 -2.9720 -2.8268 -2.8268 -2.5583 -2.5583 -1.4307 -1.4307 -0.7237 -0.7237 -0.3532 -0.3532 -0.2613 -0.2613 -0.0566 -0.0566 0.1501 0.1501 0.3724 0.3724 0.4850 0.4850 0.6641 0.6641 0.8352 0.8352 0.8752 0.8752 0.9391 0.9391 1.0605 1.0605 1.1736 1.1736 1.7367 1.7367 1.9160 1.9160 4.4236 4.4236 4.7975 4.7975 5.0339 5.0339 5.3250 5.3250 8.7395 8.7395 9.8833 9.8833 k = 0.1250 0.1018-0.0580 ( 8317 PWs) bands (ev): -13.7536 -13.7536 -13.3937 -13.3937 -12.0259 -12.0259 -11.9998 -11.9998 -11.8194 -11.8194 -11.5251 -11.5251 -9.5544 -9.5544 -9.2203 -9.2203 -3.2730 -3.2730 -2.9568 -2.9568 -2.8122 -2.8122 -2.5466 -2.5466 -1.4092 -1.4092 -0.6907 -0.6907 -0.3786 -0.3786 -0.2749 -0.2749 -0.0838 -0.0838 0.1178 0.1178 0.3505 0.3505 0.4792 0.4792 0.6438 0.6438 0.8150 0.8150 0.8623 0.8623 0.9273 0.9273 1.0632 1.0632 1.1521 1.1521 1.7309 1.7309 1.8999 1.8999 4.4580 4.4580 4.8475 4.8475 5.0700 5.0700 5.3535 5.3535 8.6994 8.6994 9.8948 9.8948 k = 0.1125 0.0916-0.0522 ( 8316 PWs) bands (ev): -13.7614 -13.7614 -13.3923 -13.3923 -12.0217 -12.0217 -11.9970 -11.9970 -11.8109 -11.8109 -11.5301 -11.5301 -9.5492 -9.5492 -9.2315 -9.2315 -3.2539 -3.2539 -2.9418 -2.9418 -2.7976 -2.7976 -2.5349 -2.5349 -1.3886 -1.3886 -0.6595 -0.6595 -0.4050 -0.4050 -0.2857 -0.2857 -0.1092 -0.1092 0.0863 0.0863 0.3238 0.3238 0.4726 0.4726 0.6220 0.6220 0.7928 0.7928 0.8554 0.8554 0.9197 0.9197 1.0672 1.0672 1.1310 1.1310 1.7260 1.7260 1.8846 1.8846 4.4905 4.4905 4.8948 4.8948 5.1060 5.1060 5.3826 5.3826 8.6622 8.6622 9.9025 9.9025 k = 0.1000 0.0814-0.0464 ( 8317 PWs) bands (ev): -13.7685 -13.7685 -13.3910 -13.3910 -12.0209 -12.0209 -11.9911 -11.9911 -11.8027 -11.8027 -11.5350 -11.5350 -9.5443 -9.5443 -9.2424 -9.2424 -3.2348 -3.2348 -2.9272 -2.9272 -2.7834 -2.7834 -2.5236 -2.5236 -1.3692 -1.3692 -0.6307 -0.6307 -0.4311 -0.4311 -0.2937 -0.2937 -0.1328 -0.1328 0.0563 0.0563 0.2947 0.2947 0.4605 0.4605 0.6050 0.6050 0.7723 0.7723 0.8499 0.8499 0.9154 0.9154 1.0705 1.0705 1.1124 1.1124 1.7220 1.7220 1.8700 1.8700 4.5202 4.5202 4.9387 4.9387 5.1406 5.1406 5.4122 5.4122 8.6280 8.6280 9.8944 9.8944 k = 0.0875 0.0712-0.0406 ( 8321 PWs) bands (ev): -13.7749 -13.7749 -13.3899 -13.3899 -12.0219 -12.0219 -11.9839 -11.9839 -11.7950 -11.7950 -11.5399 -11.5399 -9.5398 -9.5398 -9.2529 -9.2529 -3.2163 -3.2163 -2.9132 -2.9132 -2.7700 -2.7700 -2.5128 -2.5128 -1.3512 -1.3512 -0.6050 -0.6050 -0.4553 -0.4553 -0.2996 -0.2996 -0.1542 -0.1542 0.0282 0.0282 0.2648 0.2648 0.4413 0.4413 0.5954 0.5954 0.7551 0.7551 0.8441 0.8441 0.9136 0.9136 1.0675 1.0675 1.1014 1.1014 1.7190 1.7190 1.8564 1.8564 4.5468 4.5468 4.9785 4.9785 5.1727 5.1727 5.4418 5.4418 8.5971 8.5971 9.8789 9.8789 k = 0.0750 0.0611-0.0348 ( 8316 PWs) bands (ev): -13.7805 -13.7805 -13.3888 -13.3888 -12.0235 -12.0235 -11.9766 -11.9766 -11.7879 -11.7879 -11.5445 -11.5445 -9.5356 -9.5356 -9.2627 -9.2627 -3.1989 -3.1989 -2.9000 -2.9000 -2.7578 -2.7578 -2.5027 -2.5027 -1.3351 -1.3351 -0.5837 -0.5837 -0.4757 -0.4757 -0.3048 -0.3048 -0.1728 -0.1728 0.0028 0.0028 0.2357 0.2357 0.4173 0.4173 0.5918 0.5918 0.7423 0.7423 0.8375 0.8375 0.9133 0.9133 1.0545 1.0545 1.1018 1.1018 1.7169 1.7169 1.8438 1.8438 4.5700 4.5700 5.0137 5.0137 5.2017 5.2017 5.4707 5.4707 8.5699 8.5699 9.8641 9.8641 k = 0.0625 0.0509-0.0290 ( 8312 PWs) bands (ev): -13.7853 -13.7853 -13.3880 -13.3880 -12.0252 -12.0252 -11.9699 -11.9699 -11.7815 -11.7815 -11.5488 -11.5488 -9.5319 -9.5319 -9.2715 -9.2715 -3.1832 -3.1832 -2.8878 -2.8878 -2.7472 -2.7472 -2.4936 -2.4936 -1.3210 -1.3210 -0.5693 -0.5693 -0.4886 -0.4886 -0.3108 -0.3108 -0.1874 -0.1874 -0.0194 -0.0194 0.2085 0.2085 0.3923 0.3923 0.5909 0.5909 0.7344 0.7344 0.8301 0.8301 0.9139 0.9139 1.0379 1.0379 1.1070 1.1070 1.7156 1.7156 1.8324 1.8324 4.5897 4.5897 5.0440 5.0440 5.2269 5.2269 5.4979 5.4979 8.5464 8.5464 9.8509 9.8509 k = 0.0500 0.0407-0.0232 ( 8306 PWs) bands (ev): -13.7893 -13.7893 -13.3872 -13.3872 -12.0268 -12.0268 -11.9641 -11.9641 -11.7761 -11.7761 -11.5525 -11.5525 -9.5287 -9.5287 -9.2792 -9.2792 -3.1697 -3.1697 -2.8768 -2.8768 -2.7385 -2.7385 -2.4856 -2.4856 -1.3092 -1.3092 -0.5648 -0.5648 -0.4906 -0.4906 -0.3192 -0.3192 -0.1972 -0.1972 -0.0379 -0.0379 0.1842 0.1842 0.3690 0.3690 0.5906 0.5906 0.7315 0.7315 0.8222 0.8222 0.9152 0.9152 1.0218 1.0218 1.1128 1.1128 1.7151 1.7151 1.8225 1.8225 4.6057 4.6057 5.0689 5.0689 5.2480 5.2480 5.5224 5.5224 8.5268 8.5268 9.8398 9.8398 k = 0.0375 0.0305-0.0174 ( 8297 PWs) bands (ev): -13.7925 -13.7925 -13.3866 -13.3866 -12.0281 -12.0281 -11.9594 -11.9594 -11.7717 -11.7717 -11.5556 -11.5556 -9.5260 -9.5260 -9.2854 -9.2854 -3.1588 -3.1588 -2.8676 -2.8676 -2.7319 -2.7319 -2.4791 -2.4791 -1.2999 -1.2999 -0.5682 -0.5682 -0.4831 -0.4831 -0.3305 -0.3305 -0.2021 -0.2021 -0.0524 -0.0524 0.1639 0.1639 0.3493 0.3493 0.5898 0.5898 0.7328 0.7328 0.8141 0.8141 0.9168 0.9168 1.0079 1.0079 1.1180 1.1180 1.7151 1.7151 1.8143 1.8143 4.6182 4.6182 5.0883 5.0883 5.2648 5.2648 5.5428 5.5428 8.5115 8.5115 9.8310 9.8310 k = 0.0250 0.0204-0.0116 ( 8293 PWs) bands (ev): -13.7947 -13.7947 -13.3862 -13.3862 -12.0290 -12.0290 -11.9559 -11.9559 -11.7685 -11.7685 -11.5579 -11.5579 -9.5241 -9.5241 -9.2900 -9.2900 -3.1508 -3.1508 -2.8606 -2.8606 -2.7272 -2.7272 -2.4743 -2.4743 -1.2932 -1.2932 -0.5737 -0.5737 -0.4721 -0.4721 -0.3430 -0.3430 -0.2036 -0.2036 -0.0626 -0.0626 0.1485 0.1485 0.3345 0.3345 0.5887 0.5887 0.7367 0.7367 0.8064 0.8064 0.9185 0.9185 0.9969 0.9969 1.1221 1.1221 1.7154 1.7154 1.8081 1.8081 4.6271 4.6271 5.1022 5.1022 5.2769 5.2769 5.5582 5.5582 8.5004 8.5004 9.8246 9.8246 k = 0.0125 0.0102-0.0058 ( 8288 PWs) bands (ev): -13.7961 -13.7961 -13.3860 -13.3860 -12.0296 -12.0296 -11.9538 -11.9538 -11.7665 -11.7665 -11.5594 -11.5594 -9.5229 -9.5229 -9.2928 -9.2928 -3.1459 -3.1459 -2.8561 -2.8561 -2.7245 -2.7245 -2.4713 -2.4713 -1.2892 -1.2892 -0.5779 -0.5779 -0.4627 -0.4627 -0.3533 -0.3533 -0.2035 -0.2035 -0.0686 -0.0686 0.1389 0.1389 0.3254 0.3254 0.5878 0.5878 0.7409 0.7409 0.8005 0.8005 0.9198 0.9198 0.9899 0.9899 1.1246 1.1246 1.7158 1.7158 1.8042 1.8042 4.6324 4.6324 5.1105 5.1105 5.2844 5.2844 5.5677 5.5677 8.4937 8.4937 9.8207 9.8207 k = 0.0000 0.0000 0.0000 ( 8287 PWs) bands (ev): -13.7965 -13.7965 -13.3859 -13.3859 -12.0298 -12.0298 -11.9531 -11.9531 -11.7659 -11.7659 -11.5598 -11.5598 -9.5224 -9.5224 -9.2938 -9.2938 -3.1443 -3.1443 -2.8546 -2.8546 -2.7236 -2.7236 -2.4703 -2.4703 -1.2879 -1.2879 -0.5794 -0.5794 -0.4590 -0.4590 -0.3575 -0.3575 -0.2034 -0.2034 -0.0706 -0.0706 0.1356 0.1356 0.3223 0.3223 0.5874 0.5874 0.7428 0.7428 0.7981 0.7981 0.9203 0.9203 0.9874 0.9874 1.1254 1.1254 1.7159 1.7159 1.8029 1.8029 4.6342 4.6342 5.1132 5.1132 5.2869 5.2869 5.5710 5.5710 8.4914 8.4914 9.8194 9.8194 k = 0.0000 0.0000 0.0000 ( 8287 PWs) bands (ev): -13.7965 -13.7965 -13.3859 -13.3859 -12.0298 -12.0298 -11.9531 -11.9531 -11.7659 -11.7659 -11.5598 -11.5598 -9.5224 -9.5224 -9.2938 -9.2938 -3.1443 -3.1443 -2.8546 -2.8546 -2.7236 -2.7236 -2.4703 -2.4703 -1.2879 -1.2879 -0.5794 -0.5794 -0.4590 -0.4590 -0.3575 -0.3575 -0.2034 -0.2034 -0.0706 -0.0706 0.1356 0.1356 0.3223 0.3223 0.5874 0.5874 0.7428 0.7428 0.7981 0.7981 0.9203 0.9203 0.9874 0.9874 1.1254 1.1254 1.7159 1.7159 1.8029 1.8029 4.6342 4.6342 5.1132 5.1132 5.2869 5.2869 5.5710 5.5710 8.4914 8.4914 9.8194 9.8194 k = 0.0000 0.0000 0.0165 ( 8290 PWs) bands (ev): -13.7961 -13.7961 -13.3865 -13.3865 -12.0299 -12.0299 -11.9532 -11.9532 -11.7659 -11.7659 -11.5595 -11.5595 -9.5231 -9.5231 -9.2927 -9.2927 -3.1460 -3.1460 -2.8549 -2.8549 -2.7244 -2.7244 -2.4709 -2.4709 -1.2869 -1.2869 -0.5798 -0.5798 -0.4580 -0.4580 -0.3570 -0.3570 -0.2028 -0.2028 -0.0724 -0.0724 0.1385 0.1385 0.3235 0.3235 0.5889 0.5889 0.7416 0.7416 0.7994 0.7994 0.9196 0.9196 0.9869 0.9869 1.1256 1.1256 1.7148 1.7148 1.8052 1.8052 4.6334 4.6334 5.1101 5.1101 5.2852 5.2852 5.5697 5.5697 8.4937 8.4937 9.8187 9.8187 k = 0.0000 0.0000 0.0331 ( 8288 PWs) bands (ev): -13.7947 -13.7947 -13.3883 -13.3883 -12.0301 -12.0301 -11.9535 -11.9535 -11.7659 -11.7659 -11.5586 -11.5586 -9.5251 -9.5251 -9.2896 -9.2896 -3.1512 -3.1512 -2.8558 -2.8558 -2.7267 -2.7267 -2.4728 -2.4728 -1.2839 -1.2839 -0.5810 -0.5810 -0.4553 -0.4553 -0.3562 -0.3562 -0.2007 -0.2007 -0.0772 -0.0772 0.1469 0.1469 0.3273 0.3273 0.5934 0.5934 0.7383 0.7383 0.8031 0.8031 0.9176 0.9176 0.9855 0.9855 1.1259 1.1259 1.7118 1.7118 1.8119 1.8119 4.6310 4.6310 5.1010 5.1010 5.2801 5.2801 5.5662 5.5662 8.5005 8.5005 9.8165 9.8165 k = 0.0000 0.0000 0.0496 ( 8301 PWs) bands (ev): -13.7925 -13.7925 -13.3913 -13.3913 -12.0304 -12.0304 -11.9540 -11.9540 -11.7661 -11.7661 -11.5571 -11.5571 -9.5282 -9.5282 -9.2845 -9.2845 -3.1597 -3.1597 -2.8572 -2.8572 -2.7307 -2.7307 -2.4758 -2.4758 -1.2790 -1.2790 -0.5827 -0.5827 -0.4513 -0.4513 -0.3558 -0.3558 -0.1967 -0.1967 -0.0835 -0.0835 0.1594 0.1594 0.3336 0.3336 0.6002 0.6002 0.7338 0.7338 0.8086 0.8086 0.9144 0.9144 0.9832 0.9832 1.1263 1.1263 1.7076 1.7076 1.8219 1.8219 4.6268 4.6268 5.0857 5.0857 5.2719 5.2719 5.5606 5.5606 8.5118 8.5118 9.8130 9.8130 k = 0.0000 0.0000 0.0661 ( 8310 PWs) bands (ev): -13.7894 -13.7894 -13.3954 -13.3954 -12.0307 -12.0307 -11.9548 -11.9548 -11.7662 -11.7662 -11.5551 -11.5551 -9.5323 -9.5323 -9.2778 -9.2778 -3.1713 -3.1713 -2.8593 -2.8593 -2.7361 -2.7361 -2.4796 -2.4796 -1.2721 -1.2721 -0.5846 -0.5846 -0.4475 -0.4475 -0.3564 -0.3564 -0.1907 -0.1907 -0.0892 -0.0892 0.1749 0.1749 0.3425 0.3425 0.6085 0.6085 0.7294 0.7294 0.8152 0.8152 0.9105 0.9105 0.9804 0.9804 1.1269 1.1269 1.7030 1.7030 1.8345 1.8345 4.6206 4.6206 5.0646 5.0646 5.2610 5.2610 5.5534 5.5534 8.5275 8.5275 9.8080 9.8080 k = 0.0000 0.0000 0.0826 ( 8306 PWs) bands (ev): -13.7855 -13.7855 -13.4007 -13.4007 -12.0312 -12.0312 -11.9557 -11.9557 -11.7664 -11.7664 -11.5526 -11.5526 -9.5370 -9.5370 -9.2697 -9.2697 -3.1855 -3.1855 -2.8620 -2.8620 -2.7430 -2.7430 -2.4840 -2.4840 -1.2633 -1.2633 -0.5863 -0.5863 -0.4462 -0.4462 -0.3566 -0.3566 -0.1840 -0.1840 -0.0918 -0.0918 0.1921 0.1921 0.3538 0.3538 0.6169 0.6169 0.7264 0.7264 0.8223 0.8223 0.9063 0.9063 0.9771 0.9771 1.1275 1.1275 1.6985 1.6985 1.8489 1.8489 4.6123 4.6123 5.0379 5.0379 5.2477 5.2477 5.5449 5.5449 8.5476 8.5476 9.8016 9.8016 k = 0.0000 0.0000 0.0992 ( 8307 PWs) bands (ev): -13.7807 -13.7807 -13.4070 -13.4070 -12.0316 -12.0316 -11.9569 -11.9569 -11.7666 -11.7666 -11.5497 -11.5497 -9.5421 -9.5421 -9.2606 -9.2606 -3.2020 -3.2020 -2.8653 -2.8653 -2.7513 -2.7513 -2.4886 -2.4886 -1.2527 -1.2527 -0.5876 -0.5876 -0.4506 -0.4506 -0.3539 -0.3539 -0.1785 -0.1785 -0.0892 -0.0892 0.2103 0.2103 0.3674 0.3674 0.6237 0.6237 0.7264 0.7264 0.8292 0.8292 0.9030 0.9030 0.9738 0.9738 1.1280 1.1280 1.6943 1.6943 1.8644 1.8644 4.6016 4.6016 5.0057 5.0057 5.2330 5.2330 5.5358 5.5358 8.5718 8.5718 9.7939 9.7939 k = 0.0000 0.0000 0.1157 ( 8309 PWs) bands (ev): -13.7751 -13.7751 -13.4143 -13.4143 -12.0320 -12.0320 -11.9583 -11.9583 -11.7668 -11.7668 -11.5465 -11.5465 -9.5475 -9.5475 -9.2508 -9.2508 -3.2203 -3.2203 -2.8692 -2.8692 -2.7609 -2.7609 -2.4931 -2.4931 -1.2403 -1.2403 -0.5886 -0.5886 -0.4622 -0.4622 -0.3469 -0.3469 -0.1753 -0.1753 -0.0804 -0.0804 0.2286 0.2286 0.3825 0.3825 0.6273 0.6273 0.7310 0.7310 0.8344 0.8344 0.9022 0.9022 0.9705 0.9705 1.1285 1.1285 1.6905 1.6905 1.8808 1.8808 4.5883 4.5883 4.9686 4.9686 5.2175 5.2175 5.5263 5.5263 8.6000 8.6000 9.7847 9.7847 k = 0.0000 0.0000 0.1322 ( 8308 PWs) bands (ev): -13.7688 -13.7688 -13.4225 -13.4225 -12.0324 -12.0324 -11.9598 -11.9598 -11.7670 -11.7670 -11.5431 -11.5431 -9.5529 -9.5529 -9.2405 -9.2405 -3.2399 -3.2399 -2.8737 -2.8737 -2.7717 -2.7717 -2.4972 -2.4972 -1.2262 -1.2262 -0.5892 -0.5892 -0.4800 -0.4800 -0.3371 -0.3371 -0.1730 -0.1730 -0.0665 -0.0665 0.2467 0.2467 0.3984 0.3984 0.6276 0.6276 0.7400 0.7400 0.8366 0.8366 0.9057 0.9057 0.9677 0.9677 1.1290 1.1290 1.6872 1.6872 1.8976 1.8976 4.5722 4.5722 4.9269 4.9269 5.2021 5.2021 5.5167 5.5167 8.6321 8.6321 9.7740 9.7740 k = 0.0000 0.0000 0.1487 ( 8310 PWs) bands (ev): -13.7617 -13.7617 -13.4316 -13.4316 -12.0327 -12.0327 -11.9615 -11.9615 -11.7672 -11.7672 -11.5395 -11.5395 -9.5582 -9.5582 -9.2300 -9.2300 -3.2604 -3.2604 -2.8787 -2.8787 -2.7833 -2.7833 -2.5007 -2.5007 -1.2104 -1.2104 -0.5901 -0.5901 -0.5019 -0.5019 -0.3271 -0.3271 -0.1690 -0.1690 -0.0499 -0.0499 0.2640 0.2640 0.4136 0.4136 0.6261 0.6261 0.7519 0.7519 0.8362 0.8362 0.9139 0.9139 0.9656 0.9656 1.1297 1.1297 1.6844 1.6844 1.9145 1.9145 4.5534 4.5534 4.8816 4.8816 5.1877 5.1877 5.5072 5.5072 8.6680 8.6680 9.7618 9.7618 k = 0.0000 0.0000 0.1653 ( 8315 PWs) bands (ev): -13.7540 -13.7540 -13.4414 -13.4414 -12.0328 -12.0328 -11.9634 -11.9634 -11.7674 -11.7674 -11.5358 -11.5358 -9.5633 -9.5633 -9.2196 -9.2196 -3.2813 -3.2813 -2.8841 -2.8841 -2.7955 -2.7955 -2.5035 -2.5035 -1.1931 -1.1931 -0.5925 -0.5925 -0.5251 -0.5251 -0.3195 -0.3195 -0.1608 -0.1608 -0.0323 -0.0323 0.2801 0.2801 0.4263 0.4263 0.6250 0.6250 0.7640 0.7640 0.8356 0.8356 0.9254 0.9254 0.9647 0.9647 1.1307 1.1307 1.6820 1.6820 1.9311 1.9311 4.5321 4.5321 4.8332 4.8332 5.1749 5.1749 5.4981 5.4981 8.7074 8.7074 9.7478 9.7478 k = 0.0000 0.0000 0.1818 ( 8317 PWs) bands (ev): -13.7457 -13.7457 -13.4518 -13.4518 -12.0329 -12.0329 -11.9653 -11.9653 -11.7676 -11.7676 -11.5322 -11.5322 -9.5681 -9.5681 -9.2094 -9.2094 -3.3020 -3.3020 -2.8900 -2.8900 -2.8079 -2.8079 -2.5055 -2.5055 -1.1742 -1.1742 -0.5995 -0.5995 -0.5453 -0.5453 -0.3159 -0.3159 -0.1472 -0.1472 -0.0147 -0.0147 0.2944 0.2944 0.4351 0.4351 0.6261 0.6261 0.7727 0.7727 0.8389 0.8389 0.9372 0.9372 0.9663 0.9663 1.1325 1.1325 1.6799 1.6799 1.9472 1.9472 4.5089 4.5089 4.7828 4.7828 5.1641 5.1641 5.4892 5.4892 8.7501 8.7501 9.7318 9.7318 k = 0.0000 0.0000 0.1983 ( 8310 PWs) bands (ev): -13.7369 -13.7369 -13.4626 -13.4626 -12.0328 -12.0328 -11.9674 -11.9674 -11.7678 -11.7678 -11.5286 -11.5286 -9.5724 -9.5724 -9.1996 -9.1996 -3.3222 -3.3222 -2.8963 -2.8963 -2.8199 -2.8199 -2.5069 -2.5069 -1.1539 -1.1539 -0.6162 -0.6162 -0.5569 -0.5569 -0.3163 -0.3163 -0.1284 -0.1284 0.0022 0.0022 0.3060 0.3060 0.4391 0.4391 0.6300 0.6300 0.7759 0.7759 0.8488 0.8488 0.9454 0.9454 0.9726 0.9726 1.1357 1.1357 1.6782 1.6782 1.9625 1.9625 4.4845 4.4845 4.7313 4.7313 5.1555 5.1555 5.4808 5.4808 8.7960 8.7960 9.7132 9.7132 k = 0.0000 0.0000 0.2149 ( 8315 PWs) bands (ev): -13.7276 -13.7276 -13.4739 -13.4739 -12.0325 -12.0325 -11.9695 -11.9695 -11.7680 -11.7680 -11.5252 -11.5252 -9.5764 -9.5764 -9.1904 -9.1904 -3.3414 -3.3414 -2.9029 -2.9029 -2.8312 -2.8312 -2.5076 -2.5076 -1.1323 -1.1323 -0.6416 -0.6416 -0.5605 -0.5605 -0.3198 -0.3198 -0.1058 -0.1058 0.0185 0.0185 0.3141 0.3141 0.4392 0.4392 0.6359 0.6359 0.7751 0.7751 0.8644 0.8644 0.9493 0.9493 0.9829 0.9829 1.1407 1.1407 1.6768 1.6768 1.9767 1.9767 4.4598 4.4598 4.6800 4.6800 5.1490 5.1490 5.4729 5.4729 8.8447 8.8447 9.6912 9.6912 k = 0.0000 0.0000 0.2314 ( 8318 PWs) bands (ev): -13.7181 -13.7181 -13.4853 -13.4853 -12.0322 -12.0322 -11.9715 -11.9715 -11.7681 -11.7681 -11.5221 -11.5221 -9.5799 -9.5799 -9.1819 -9.1819 -3.3593 -3.3593 -2.9098 -2.9098 -2.8414 -2.8414 -2.5079 -2.5079 -1.1095 -1.1095 -0.6712 -0.6712 -0.5603 -0.5603 -0.3251 -0.3251 -0.0811 -0.0811 0.0343 0.0343 0.3173 0.3173 0.4375 0.4375 0.6419 0.6419 0.7733 0.7733 0.8827 0.8827 0.9517 0.9517 0.9933 0.9933 1.1480 1.1480 1.6757 1.6757 1.9897 1.9897 4.4358 4.4358 4.6298 4.6298 5.1445 5.1445 5.4655 5.4655 8.8962 8.8962 9.6645 9.6645 k = 0.0000 0.0000 0.2479 ( 8320 PWs) bands (ev): -13.7085 -13.7085 -13.4966 -13.4966 -12.0317 -12.0317 -11.9736 -11.9736 -11.7682 -11.7682 -11.5193 -11.5193 -9.5829 -9.5829 -9.1743 -9.1743 -3.3754 -3.3754 -2.9168 -2.9168 -2.8502 -2.8502 -2.5079 -2.5079 -1.0855 -1.0855 -0.7024 -0.7024 -0.5585 -0.5585 -0.3314 -0.3314 -0.0562 -0.0562 0.0500 0.0500 0.3143 0.3143 0.4364 0.4364 0.6461 0.6461 0.7727 0.7727 0.9009 0.9009 0.9547 0.9547 1.0018 1.0018 1.1575 1.1575 1.6748 1.6748 2.0013 2.0013 4.4135 4.4135 4.5821 4.5821 5.1416 5.1416 5.4588 5.4588 8.9500 8.9500 9.6321 9.6322 k = 0.0000 0.0000 0.2644 ( 8312 PWs) bands (ev): -13.6991 -13.6991 -13.5075 -13.5075 -12.0312 -12.0312 -11.9754 -11.9754 -11.7683 -11.7683 -11.5168 -11.5168 -9.5855 -9.5855 -9.1677 -9.1677 -3.3896 -3.3896 -2.9235 -2.9235 -2.8575 -2.8575 -2.5076 -2.5076 -1.0607 -1.0607 -0.7341 -0.7341 -0.5561 -0.5561 -0.3378 -0.3378 -0.0328 -0.0328 0.0663 0.0663 0.3049 0.3049 0.4373 0.4373 0.6477 0.6477 0.7740 0.7740 0.9163 0.9163 0.9597 0.9597 1.0079 1.0079 1.1683 1.1683 1.6741 1.6741 2.0112 2.0112 4.3941 4.3941 4.5378 4.5378 5.1400 5.1400 5.4528 5.4528 9.0059 9.0059 9.5932 9.5933 k = 0.0000 0.0000 0.2810 ( 8310 PWs) bands (ev): -13.6901 -13.6901 -13.5178 -13.5178 -12.0306 -12.0306 -11.9771 -11.9771 -11.7684 -11.7684 -11.5147 -11.5147 -9.5875 -9.5875 -9.1622 -9.1622 -3.4015 -3.4015 -2.9297 -2.9297 -2.8632 -2.8632 -2.5072 -2.5072 -1.0352 -1.0352 -0.7655 -0.7655 -0.5536 -0.5536 -0.3437 -0.3437 -0.0125 -0.0125 0.0841 0.0841 0.2902 0.2902 0.4400 0.4400 0.6468 0.6468 0.7768 0.7768 0.9268 0.9268 0.9672 0.9672 1.0124 1.0124 1.1793 1.1793 1.6735 1.6735 2.0195 2.0195 4.3785 4.3785 4.4982 4.4982 5.1393 5.1393 5.4477 5.4477 9.0634 9.0634 9.5480 9.5480 k = 0.0000 0.0000 0.2975 ( 8312 PWs) bands (ev): -13.6821 -13.6821 -13.5269 -13.5269 -12.0301 -12.0301 -11.9785 -11.9785 -11.7685 -11.7685 -11.5130 -11.5130 -9.5891 -9.5891 -9.1578 -9.1578 -3.4110 -3.4110 -2.9350 -2.9350 -2.8675 -2.8675 -2.5068 -2.5068 -1.0098 -1.0098 -0.7958 -0.7958 -0.5513 -0.5513 -0.3488 -0.3488 0.0033 0.0033 0.1038 0.1038 0.2718 0.2718 0.4435 0.4435 0.6446 0.6446 0.7803 0.7803 0.9327 0.9327 0.9752 0.9752 1.0164 1.0164 1.1893 1.1893 1.6732 1.6732 2.0260 2.0260 4.3672 4.3672 4.4644 4.4644 5.1391 5.1391 5.4436 5.4436 9.1218 9.1218 9.4977 9.4977 k = 0.0000 0.0000 0.3140 ( 8313 PWs) bands (ev): -13.6755 -13.6755 -13.5342 -13.5342 -12.0297 -12.0297 -11.9796 -11.9796 -11.7685 -11.7685 -11.5118 -11.5118 -9.5903 -9.5903 -9.1546 -9.1546 -3.4179 -3.4179 -2.9390 -2.9390 -2.8705 -2.8705 -2.5064 -2.5064 -0.9855 -0.9855 -0.8236 -0.8236 -0.5495 -0.5495 -0.3527 -0.3527 0.0142 0.0142 0.1245 0.1245 0.2519 0.2519 0.4469 0.4469 0.6420 0.6420 0.7835 0.7835 0.9358 0.9358 0.9812 0.9812 1.0205 1.0205 1.1972 1.1972 1.6729 1.6729 2.0307 2.0307 4.3605 4.3605 4.4378 4.4378 5.1393 5.1393 5.4405 5.4405 9.1799 9.1799 9.4444 9.4444 k = 0.0000 0.0000 0.3305 ( 8315 PWs) bands (ev): -13.6712 -13.6712 -13.5390 -13.5390 -12.0295 -12.0295 -11.9802 -11.9802 -11.7686 -11.7686 -11.5111 -11.5111 -9.5910 -9.5910 -9.1527 -9.1527 -3.4221 -3.4221 -2.9415 -2.9415 -2.8723 -2.8723 -2.5062 -2.5062 -0.9656 -0.9656 -0.8457 -0.8457 -0.5483 -0.5483 -0.3551 -0.3551 0.0204 0.0204 0.1429 0.1429 0.2340 0.2340 0.4492 0.4492 0.6400 0.6400 0.7857 0.7857 0.9374 0.9374 0.9844 0.9844 1.0238 1.0238 1.2023 1.2023 1.6728 1.6728 2.0335 2.0335 4.3577 4.3577 4.4200 4.4200 5.1395 5.1395 5.4386 5.4386 9.2338 9.2338 9.3931 9.3931 k = 0.0000 0.0000 0.3471 ( 8316 PWs) bands (ev): -13.6697 -13.6697 -13.5406 -13.5406 -12.0294 -12.0294 -11.9805 -11.9805 -11.7686 -11.7686 -11.5109 -11.5109 -9.5912 -9.5912 -9.1520 -9.1520 -3.4235 -3.4235 -2.9424 -2.9424 -2.8728 -2.8728 -2.5061 -2.5061 -0.9570 -0.9570 -0.8551 -0.8551 -0.5479 -0.5479 -0.3559 -0.3559 0.0225 0.0225 0.1514 0.1514 0.2257 0.2257 0.4501 0.4501 0.6392 0.6392 0.7865 0.7865 0.9379 0.9379 0.9853 0.9853 1.0251 1.0251 1.2040 1.2040 1.6728 1.6728 2.0344 2.0344 4.3572 4.3572 4.4136 4.4136 5.1395 5.1395 5.4380 5.4380 9.2632 9.2632 9.3645 9.3645 k = 0.5000-0.0784 0.2628 ( 8348 PWs) bands (ev): -13.5385 -13.5385 -13.5151 -13.5151 -12.1460 -12.1460 -11.9912 -11.9912 -11.8932 -11.8932 -11.4587 -11.4587 -9.5848 -9.5848 -9.1833 -9.1833 -3.3637 -3.3637 -3.1382 -3.1382 -3.0508 -3.0508 -2.7637 -2.7637 -1.5626 -1.5626 -0.5938 -0.5938 -0.0930 -0.0930 0.0911 0.0911 0.0980 0.0980 0.2194 0.2194 0.3694 0.3694 0.4855 0.4855 0.6639 0.6639 0.7490 0.7490 0.7931 0.7931 1.2899 1.2899 1.3122 1.3122 1.3896 1.3896 1.8052 1.8052 2.4155 2.4155 3.9886 3.9886 4.3076 4.3076 4.5552 4.5552 4.9894 4.9894 9.4586 9.4586 9.5996 9.5996 k = 0.4853-0.0761 0.2551 ( 8348 PWs) bands (ev): -13.5400 -13.5400 -13.5140 -13.5140 -12.1458 -12.1458 -11.9906 -11.9906 -11.8934 -11.8934 -11.4589 -11.4589 -9.5855 -9.5855 -9.1829 -9.1829 -3.3643 -3.3643 -3.1385 -3.1385 -3.0483 -3.0483 -2.7629 -2.7629 -1.5625 -1.5625 -0.5936 -0.5936 -0.0925 -0.0925 0.0891 0.0891 0.0990 0.0990 0.2191 0.2191 0.3674 0.3674 0.4847 0.4847 0.6620 0.6620 0.7489 0.7489 0.7938 0.7938 1.2876 1.2876 1.3125 1.3125 1.3892 1.3892 1.8047 1.8047 2.4143 2.4143 3.9914 3.9914 4.3086 4.3086 4.5579 4.5579 4.9897 4.9897 9.4598 9.4598 9.6010 9.6010 k = 0.4706-0.0738 0.2474 ( 8348 PWs) bands (ev): -13.5438 -13.5438 -13.5114 -13.5114 -12.1451 -12.1451 -11.9886 -11.9886 -11.8937 -11.8937 -11.4593 -11.4593 -9.5875 -9.5875 -9.1814 -9.1814 -3.3658 -3.3658 -3.1390 -3.1390 -3.0410 -3.0410 -2.7606 -2.7606 -1.5620 -1.5620 -0.5928 -0.5928 -0.0909 -0.0909 0.0842 0.0842 0.1010 0.1010 0.2186 0.2186 0.3617 0.3617 0.4822 0.4822 0.6565 0.6565 0.7480 0.7480 0.7960 0.7960 1.2813 1.2813 1.3129 1.3129 1.3883 1.3883 1.8035 1.8035 2.4109 2.4109 3.9997 3.9997 4.3116 4.3116 4.5658 4.5658 4.9904 4.9904 9.4631 9.4631 9.6054 9.6054 k = 0.4559-0.0715 0.2396 ( 8336 PWs) bands (ev): -13.5491 -13.5491 -13.5080 -13.5080 -12.1440 -12.1440 -11.9852 -11.9852 -11.8943 -11.8943 -11.4601 -11.4601 -9.5908 -9.5908 -9.1791 -9.1791 -3.3683 -3.3683 -3.1389 -3.1389 -3.0302 -3.0302 -2.7568 -2.7568 -1.5612 -1.5612 -0.5915 -0.5915 -0.0885 -0.0885 0.0766 0.0766 0.1035 0.1035 0.2179 0.2179 0.3525 0.3525 0.4781 0.4781 0.6479 0.6479 0.7453 0.7453 0.8005 0.8005 1.2717 1.2717 1.3127 1.3127 1.3868 1.3868 1.8016 1.8016 2.4053 2.4053 4.0134 4.0134 4.3168 4.3168 4.5785 4.5785 4.9917 4.9917 9.4678 9.4678 9.6127 9.6127 k = 0.4412-0.0691 0.2319 ( 8333 PWs) bands (ev): -13.5556 -13.5556 -13.5043 -13.5043 -12.1424 -12.1424 -11.9807 -11.9807 -11.8952 -11.8952 -11.4611 -11.4611 -9.5953 -9.5953 -9.1760 -9.1760 -3.3716 -3.3716 -3.1374 -3.1374 -3.0168 -3.0168 -2.7513 -2.7513 -1.5601 -1.5601 -0.5897 -0.5897 -0.0857 -0.0857 0.0664 0.0664 0.1064 0.1064 0.2174 0.2174 0.3405 0.3405 0.4726 0.4726 0.6367 0.6367 0.7399 0.7399 0.8072 0.8072 1.2591 1.2591 1.3114 1.3114 1.3846 1.3846 1.7989 1.7989 2.3973 2.3973 4.0321 4.0321 4.3247 4.3247 4.5957 4.5957 4.9936 4.9936 9.4723 9.4723 9.6231 9.6231 k = 0.4265-0.0668 0.2242 ( 8331 PWs) bands (ev): -13.5629 -13.5629 -13.5004 -13.5004 -12.1404 -12.1404 -11.9750 -11.9750 -11.8962 -11.8962 -11.4625 -11.4625 -9.6006 -9.6006 -9.1724 -9.1724 -3.3753 -3.3753 -3.1339 -3.1339 -3.0019 -3.0019 -2.7442 -2.7442 -1.5586 -1.5586 -0.5874 -0.5874 -0.0834 -0.0834 0.0538 0.0538 0.1097 0.1097 0.2169 0.2169 0.3269 0.3269 0.4658 0.4658 0.6235 0.6235 0.7318 0.7318 0.8158 0.8158 1.2438 1.2438 1.3089 1.3089 1.3817 1.3817 1.7956 1.7956 2.3872 2.3872 4.0553 4.0553 4.3356 4.3356 4.6168 4.6168 4.9960 4.9960 9.4749 9.4749 9.6370 9.6370 k = 0.4118-0.0645 0.2164 ( 8333 PWs) bands (ev): -13.5709 -13.5709 -13.4964 -13.4964 -12.1379 -12.1379 -11.9683 -11.9683 -11.8974 -11.8974 -11.4642 -11.4642 -9.6066 -9.6066 -9.1684 -9.1684 -3.3793 -3.3793 -3.1283 -3.1283 -2.9861 -2.9861 -2.7353 -2.7353 -1.5567 -1.5567 -0.5846 -0.5846 -0.0827 -0.0827 0.0396 0.0396 0.1134 0.1134 0.2157 0.2157 0.3131 0.3131 0.4581 0.4581 0.6085 0.6085 0.7212 0.7212 0.8258 0.8258 1.2261 1.2261 1.3051 1.3051 1.3779 1.3779 1.7919 1.7919 2.3748 2.3748 4.0826 4.0826 4.3500 4.3500 4.6410 4.6410 4.9992 4.9992 9.4732 9.4732 9.6550 9.6550 k = 0.3971-0.0622 0.2087 ( 8328 PWs) bands (ev): -13.5797 -13.5797 -13.4922 -13.4922 -12.1350 -12.1350 -11.9608 -11.9608 -11.8988 -11.8988 -11.4661 -11.4661 -9.6130 -9.6130 -9.1643 -9.1643 -3.3833 -3.3833 -3.1204 -3.1204 -2.9702 -2.9702 -2.7247 -2.7247 -1.5544 -1.5544 -0.5812 -0.5812 -0.0857 -0.0857 0.0255 0.0255 0.1174 0.1174 0.2124 0.2124 0.3015 0.3015 0.4495 0.4495 0.5921 0.5921 0.7084 0.7084 0.8366 0.8366 1.2062 1.2062 1.3000 1.3000 1.3730 1.3730 1.7877 1.7877 2.3603 2.3603 4.1134 4.1134 4.3681 4.3681 4.6679 4.6679 5.0031 5.0031 9.4654 9.4654 9.6774 9.6774 k = 0.3824-0.0599 0.2010 ( 8334 PWs) bands (ev): -13.5890 -13.5890 -13.4879 -13.4879 -12.1317 -12.1317 -11.9525 -11.9525 -11.9002 -11.9002 -11.4684 -11.4684 -9.6196 -9.6196 -9.1602 -9.1602 -3.3869 -3.3869 -3.1102 -3.1102 -2.9545 -2.9545 -2.7123 -2.7123 -1.5516 -1.5516 -0.5773 -0.5773 -0.0948 -0.0948 0.0135 0.0135 0.1215 0.1215 0.2057 0.2057 0.2943 0.2943 0.4405 0.4405 0.5747 0.5747 0.6937 0.6937 0.8478 0.8478 1.1845 1.1845 1.2937 1.2937 1.3667 1.3667 1.7833 1.7833 2.3437 2.3437 4.1470 4.1470 4.3900 4.3900 4.6968 4.6968 5.0080 5.0080 9.4502 9.4502 9.7042 9.7042 k = 0.3676-0.0576 0.1932 ( 8339 PWs) bands (ev): -13.5989 -13.5989 -13.4835 -13.4835 -12.1281 -12.1281 -11.9438 -11.9438 -11.9016 -11.9016 -11.4709 -11.4709 -9.6262 -9.6262 -9.1564 -9.1564 -3.3899 -3.3899 -3.0981 -3.0981 -2.9394 -2.9394 -2.6982 -2.6982 -1.5482 -1.5482 -0.5729 -0.5729 -0.1114 -0.1114 0.0046 0.0046 0.1251 0.1251 0.1959 0.1959 0.2922 0.2922 0.4312 0.4312 0.5568 0.5568 0.6774 0.6774 0.8590 0.8590 1.1613 1.1613 1.2863 1.2863 1.3587 1.3587 1.7787 1.7787 2.3252 2.3252 4.1828 4.1828 4.4159 4.4159 4.7270 4.7270 5.0142 5.0142 9.4275 9.4275 9.7346 9.7346 k = 0.3529-0.0553 0.1855 ( 8344 PWs) bands (ev): -13.6092 -13.6092 -13.4790 -13.4790 -12.1241 -12.1241 -11.9350 -11.9350 -11.9027 -11.9027 -11.4737 -11.4737 -9.6325 -9.6325 -9.1530 -9.1530 -3.3920 -3.3920 -3.0841 -3.0841 -2.9252 -2.9252 -2.6825 -2.6825 -1.5442 -1.5442 -0.5679 -0.5679 -0.1350 -0.1350 -0.0028 -0.0028 0.1277 0.1277 0.1855 0.1855 0.2942 0.2942 0.4219 0.4219 0.5389 0.5389 0.6598 0.6598 0.8699 0.8699 1.1368 1.1368 1.2779 1.2779 1.3487 1.3487 1.7741 1.7741 2.3049 2.3049 4.2202 4.2202 4.4455 4.4455 4.7579 4.7579 5.0220 5.0220 9.3976 9.3976 9.7672 9.7672 k = 0.3382-0.0530 0.1778 ( 8340 PWs) bands (ev): -13.6199 -13.6199 -13.4743 -13.4743 -12.1197 -12.1197 -11.9270 -11.9270 -11.9027 -11.9027 -11.4768 -11.4768 -9.6382 -9.6382 -9.1502 -9.1502 -3.3931 -3.3931 -3.0684 -3.0684 -2.9119 -2.9119 -2.6656 -2.6656 -1.5396 -1.5396 -0.5623 -0.5623 -0.1638 -0.1638 -0.0115 -0.0115 0.1285 0.1285 0.1776 0.1776 0.2986 0.2986 0.4124 0.4124 0.5223 0.5223 0.6415 0.6415 0.8802 0.8802 1.1117 1.1117 1.2686 1.2686 1.3369 1.3369 1.7697 1.7697 2.2829 2.2829 4.2588 4.2588 4.4786 4.4786 4.7888 4.7888 5.0318 5.0318 9.3614 9.3614 9.8001 9.8001 k = 0.3235-0.0507 0.1701 ( 8332 PWs) bands (ev): -13.6309 -13.6309 -13.4695 -13.4695 -12.1151 -12.1151 -11.9214 -11.9214 -11.9002 -11.9002 -11.4801 -11.4801 -9.6433 -9.6433 -9.1481 -9.1481 -3.3928 -3.3928 -3.0513 -3.0513 -2.8995 -2.8995 -2.6477 -2.6477 -1.5342 -1.5342 -0.5562 -0.5562 -0.1959 -0.1959 -0.0238 -0.0238 0.1276 0.1276 0.1735 0.1735 0.3041 0.3041 0.4019 0.4019 0.5082 0.5082 0.6230 0.6230 0.8896 0.8896 1.0862 1.0862 1.2581 1.2581 1.3232 1.3232 1.7654 1.7654 2.2594 2.2594 4.2980 4.2980 4.5145 4.5145 4.8188 4.8188 5.0443 5.0443 9.3198 9.3198 9.8308 9.8308 k = 0.3088-0.0484 0.1623 ( 8337 PWs) bands (ev): -13.6421 -13.6421 -13.4646 -13.4646 -12.1102 -12.1102 -11.9195 -11.9195 -11.8940 -11.8940 -11.4836 -11.4836 -9.6475 -9.6475 -9.1469 -9.1469 -3.3912 -3.3912 -3.0331 -3.0331 -2.8880 -2.8880 -2.6293 -2.6293 -1.5281 -1.5281 -0.5496 -0.5496 -0.2299 -0.2299 -0.0406 -0.0406 0.1259 0.1259 0.1722 0.1722 0.3102 0.3102 0.3892 0.3892 0.4984 0.4984 0.6054 0.6054 0.8974 0.8974 1.0612 1.0612 1.2460 1.2460 1.3082 1.3082 1.7614 1.7614 2.2346 2.2346 4.3374 4.3374 4.5526 4.5526 4.8473 4.8473 5.0601 5.0601 9.2740 9.2740 9.8559 9.8559 k = 0.2941-0.0461 0.1546 ( 8334 PWs) bands (ev): -13.6534 -13.6534 -13.4595 -13.4595 -12.1051 -12.1051 -11.9201 -11.9201 -11.8854 -11.8854 -11.4874 -11.4874 -9.6507 -9.6507 -9.1466 -9.1466 -3.3882 -3.3882 -3.0140 -3.0140 -2.8772 -2.8772 -2.6107 -2.6107 -1.5210 -1.5210 -0.5423 -0.5423 -0.2651 -0.2651 -0.0615 -0.0615 0.1235 0.1235 0.1717 0.1717 0.3170 0.3170 0.3734 0.3734 0.4934 0.4934 0.5902 0.5902 0.9029 0.9029 1.0376 1.0376 1.2317 1.2317 1.2927 1.2927 1.7577 1.7577 2.2088 2.2088 4.3768 4.3768 4.5922 4.5922 4.8739 4.8739 5.0796 5.0796 9.2248 9.2248 9.8734 9.8734 k = 0.2794-0.0438 0.1469 ( 8333 PWs) bands (ev): -13.6647 -13.6647 -13.4544 -13.4544 -12.0998 -12.0998 -11.9217 -11.9217 -11.8759 -11.8759 -11.4913 -11.4913 -9.6527 -9.6527 -9.1473 -9.1473 -3.3835 -3.3835 -2.9945 -2.9945 -2.8669 -2.8669 -2.5925 -2.5925 -1.5131 -1.5131 -0.5346 -0.5346 -0.3004 -0.3004 -0.0853 -0.0853 0.1198 0.1198 0.1709 0.1709 0.3237 0.3237 0.3550 0.3550 0.4921 0.4921 0.5794 0.5794 0.9049 0.9049 1.0165 1.0165 1.2145 1.2145 1.2778 1.2778 1.7543 1.7543 2.1820 2.1820 4.4155 4.4155 4.6322 4.6322 4.8986 4.8986 5.1031 5.1031 9.1732 9.1732 9.8849 9.8849 k = 0.2647-0.0415 0.1391 ( 8337 PWs) bands (ev): -13.6760 -13.6760 -13.4492 -13.4492 -12.0944 -12.0944 -11.9238 -11.9238 -11.8662 -11.8662 -11.4954 -11.4954 -9.6535 -9.6535 -9.1491 -9.1491 -3.3773 -3.3773 -2.9748 -2.9748 -2.8569 -2.8569 -2.5749 -2.5749 -1.5041 -1.5041 -0.5263 -0.5263 -0.3353 -0.3353 -0.1109 -0.1109 0.1136 0.1136 0.1693 0.1693 0.3223 0.3223 0.3427 0.3427 0.4923 0.4923 0.5755 0.5755 0.9018 0.9018 0.9998 0.9998 1.1938 1.1938 1.2641 1.2641 1.7512 1.7512 2.1546 2.1546 4.4530 4.4530 4.6719 4.6719 4.9219 4.9219 5.1302 5.1302 9.1201 9.1201 9.8932 9.8932 k = 0.2500-0.0392 0.1314 ( 8336 PWs) bands (ev): -13.6872 -13.6872 -13.4440 -13.4440 -12.0889 -12.0889 -11.9261 -11.9261 -11.8565 -11.8565 -11.4997 -11.4997 -9.6530 -9.6530 -9.1521 -9.1521 -3.3695 -3.3695 -2.9555 -2.9555 -2.8468 -2.8468 -2.5585 -2.5585 -1.4941 -1.4941 -0.5176 -0.5176 -0.3691 -0.3691 -0.1372 -0.1372 0.1037 0.1037 0.1670 0.1670 0.3014 0.3014 0.3472 0.3472 0.4931 0.4931 0.5797 0.5797 0.8925 0.8925 0.9885 0.9885 1.1700 1.1700 1.2520 1.2520 1.7484 1.7484 2.1268 2.1268 4.4888 4.4888 4.7105 4.7105 4.9448 4.9448 5.1605 5.1605 9.0663 9.0663 9.9006 9.9006 k = 0.2353-0.0369 0.1237 ( 8331 PWs) bands (ev): -13.6981 -13.6981 -13.4387 -13.4387 -12.0834 -12.0834 -11.9285 -11.9285 -11.8471 -11.8471 -11.5041 -11.5041 -9.6511 -9.6511 -9.1562 -9.1562 -3.3601 -3.3601 -2.9372 -2.9372 -2.8363 -2.8363 -2.5434 -2.5434 -1.4831 -1.4831 -0.5085 -0.5085 -0.4013 -0.4013 -0.1637 -0.1637 0.0901 0.0901 0.1640 0.1640 0.2756 0.2756 0.3535 0.3535 0.4962 0.4962 0.5909 0.5909 0.8777 0.8777 0.9815 0.9815 1.1441 1.1441 1.2412 1.2412 1.7457 1.7457 2.0987 2.0987 4.5220 4.5220 4.7474 4.7474 4.9681 4.9681 5.1930 5.1930 9.0124 9.0124 9.9084 9.9084 k = 0.2206-0.0346 0.1159 ( 8329 PWs) bands (ev): -13.7088 -13.7088 -13.4336 -13.4336 -12.0779 -12.0779 -11.9310 -11.9310 -11.8381 -11.8381 -11.5087 -11.5087 -9.6479 -9.6479 -9.1614 -9.1614 -3.3492 -3.3492 -2.9204 -2.9204 -2.8250 -2.8250 -2.5301 -2.5301 -1.4710 -1.4710 -0.4995 -0.4995 -0.4312 -0.4312 -0.1895 -0.1895 0.0730 0.0730 0.1596 0.1596 0.2487 0.2487 0.3573 0.3573 0.5041 0.5041 0.6070 0.6070 0.8596 0.8596 0.9761 0.9761 1.1177 1.1177 1.2312 1.2312 1.7432 1.7432 2.0707 2.0707 4.5518 4.5518 4.7825 4.7825 4.9928 4.9928 5.2270 5.2270 8.9590 8.9590 9.9171 9.9171 k = 0.2059-0.0323 0.1082 ( 8326 PWs) bands (ev): -13.7190 -13.7190 -13.4284 -13.4284 -12.0726 -12.0726 -11.9334 -11.9334 -11.8295 -11.8295 -11.5133 -11.5133 -9.6432 -9.6432 -9.1678 -9.1678 -3.3368 -3.3368 -2.9057 -2.9057 -2.8127 -2.8127 -2.5186 -2.5186 -1.4578 -1.4578 -0.4916 -0.4916 -0.4576 -0.4576 -0.2144 -0.2144 0.0532 0.0532 0.1521 0.1521 0.2229 0.2229 0.3580 0.3580 0.5177 0.5177 0.6261 0.6261 0.8402 0.8402 0.9691 0.9691 1.0927 1.0927 1.2219 1.2219 1.7409 1.7409 2.0429 2.0429 4.5775 4.5775 4.8160 4.8160 5.0191 5.0191 5.2617 5.2617 8.9066 8.9066 9.9268 9.9268 k = 0.1912-0.0300 0.1005 ( 8326 PWs) bands (ev): -13.7289 -13.7289 -13.4234 -13.4234 -12.0673 -12.0673 -11.9358 -11.9358 -11.8213 -11.8213 -11.5179 -11.5179 -9.6372 -9.6372 -9.1752 -9.1752 -3.3230 -3.3230 -2.8933 -2.8933 -2.7994 -2.7994 -2.5090 -2.5090 -1.4437 -1.4437 -0.4930 -0.4930 -0.4722 -0.4722 -0.2376 -0.2376 0.0312 0.0312 0.1392 0.1392 0.2010 0.2010 0.3565 0.3565 0.5363 0.5363 0.6467 0.6467 0.8210 0.8210 0.9579 0.9579 1.0715 1.0715 1.2129 1.2129 1.7386 1.7386 2.0155 2.0155 4.5986 4.5986 4.8483 4.8483 5.0468 5.0468 5.2965 5.2965 8.8558 8.8558 9.9376 9.9376 k = 0.1765-0.0277 0.0928 ( 8322 PWs) bands (ev): -13.7382 -13.7382 -13.4186 -13.4186 -12.0622 -12.0622 -11.9381 -11.9381 -11.8137 -11.8137 -11.5226 -11.5226 -9.6299 -9.6299 -9.1837 -9.1837 -3.3080 -3.3080 -2.8833 -2.8833 -2.7855 -2.7855 -2.5014 -2.5014 -1.4287 -1.4287 -0.5109 -0.5109 -0.4681 -0.4681 -0.2587 -0.2587 0.0078 0.0078 0.1189 0.1189 0.1856 0.1856 0.3537 0.3537 0.5584 0.5584 0.6676 0.6676 0.8026 0.8026 0.9409 0.9409 1.0559 1.0559 1.2042 1.2042 1.7363 1.7363 1.9887 1.9887 4.6149 4.6149 4.8798 4.8798 5.0754 5.0754 5.3309 5.3309 8.8070 8.8070 9.9488 9.9488 k = 0.1618-0.0254 0.0850 ( 8323 PWs) bands (ev): -13.7470 -13.7470 -13.4139 -13.4139 -12.0574 -12.0574 -11.9403 -11.9403 -11.8066 -11.8066 -11.5272 -11.5272 -9.6214 -9.6214 -9.1931 -9.1931 -3.2919 -3.2919 -2.8754 -2.8754 -2.7715 -2.7715 -2.4954 -2.4954 -1.4131 -1.4131 -0.5292 -0.5292 -0.4616 -0.4616 -0.2771 -0.2771 -0.0166 -0.0166 0.0930 0.0930 0.1755 0.1755 0.3503 0.3503 0.5827 0.5827 0.6875 0.6875 0.7862 0.7862 0.9188 0.9188 1.0457 1.0457 1.1957 1.1957 1.7341 1.7341 1.9629 1.9629 4.6268 4.6268 4.9107 4.9107 5.1040 5.1040 5.3644 5.3644 8.7606 8.7606 9.9596 9.9596 k = 0.1471-0.0230 0.0773 ( 8322 PWs) bands (ev): -13.7553 -13.7553 -13.4095 -13.4095 -12.0529 -12.0529 -11.9424 -11.9424 -11.7999 -11.7999 -11.5318 -11.5318 -9.6118 -9.6118 -9.2034 -9.2034 -3.2750 -3.2750 -2.8693 -2.8693 -2.7582 -2.7582 -2.4910 -2.4910 -1.3970 -1.3970 -0.5448 -0.5448 -0.4564 -0.4564 -0.2922 -0.2922 -0.0415 -0.0415 0.0650 0.0650 0.1682 0.1682 0.3470 0.3470 0.6078 0.6078 0.7035 0.7035 0.7737 0.7737 0.8947 0.8947 1.0389 1.0389 1.1872 1.1872 1.7319 1.7319 1.9382 1.9382 4.6347 4.6347 4.9408 4.9408 5.1321 5.1321 5.3966 5.3966 8.7169 8.7169 9.9681 9.9681 k = 0.1324-0.0207 0.0696 ( 8316 PWs) bands (ev): -13.7628 -13.7628 -13.4053 -13.4053 -12.0487 -12.0487 -11.9443 -11.9443 -11.7939 -11.7939 -11.5363 -11.5363 -9.6014 -9.6014 -9.2144 -9.2144 -3.2575 -3.2575 -2.8646 -2.8646 -2.7464 -2.7464 -2.4876 -2.4876 -1.3808 -1.3808 -0.5573 -0.5573 -0.4535 -0.4535 -0.3037 -0.3037 -0.0667 -0.0667 0.0373 0.0373 0.1623 0.1623 0.3436 0.3436 0.6325 0.6325 0.7106 0.7106 0.7691 0.7691 0.8720 0.8720 1.0340 1.0340 1.1788 1.1788 1.7297 1.7297 1.9148 1.9148 4.6394 4.6394 4.9698 4.9698 5.1590 5.1590 5.4270 5.4270 8.6763 8.6763 9.9681 9.9681 k = 0.1176-0.0184 0.0618 ( 8314 PWs) bands (ev): -13.7697 -13.7697 -13.4015 -13.4015 -12.0448 -12.0448 -11.9461 -11.9461 -11.7883 -11.7883 -11.5405 -11.5405 -9.5903 -9.5903 -9.2258 -9.2258 -3.2396 -3.2396 -2.8611 -2.8611 -2.7365 -2.7365 -2.4850 -2.4850 -1.3647 -1.3647 -0.5668 -0.5668 -0.4531 -0.4531 -0.3116 -0.3116 -0.0916 -0.0916 0.0114 0.0114 0.1572 0.1572 0.3403 0.3403 0.6541 0.6541 0.7078 0.7078 0.7727 0.7727 0.8549 0.8549 1.0296 1.0296 1.1705 1.1705 1.7275 1.7275 1.8930 1.8930 4.6417 4.6417 4.9973 4.9973 5.1841 5.1841 5.4552 5.4552 8.6391 8.6391 9.9485 9.9485 k = 0.1029-0.0161 0.0541 ( 8314 PWs) bands (ev): -13.7759 -13.7759 -13.3980 -13.3980 -12.0414 -12.0414 -11.9477 -11.9477 -11.7833 -11.7833 -11.5446 -11.5446 -9.5787 -9.5787 -9.2376 -9.2376 -3.2219 -3.2219 -2.8585 -2.8585 -2.7291 -2.7291 -2.4827 -2.4827 -1.3492 -1.3492 -0.5734 -0.5734 -0.4550 -0.4550 -0.3168 -0.3168 -0.1157 -0.1157 -0.0115 -0.0115 0.1526 0.1526 0.3371 0.3371 0.6642 0.6642 0.7079 0.7079 0.7753 0.7753 0.8484 0.8484 1.0251 1.0251 1.1623 1.1623 1.7253 1.7253 1.8731 1.8731 4.6421 4.6421 5.0227 5.0227 5.2070 5.2070 5.4810 5.4810 8.6056 8.6056 9.9218 9.9218 k = 0.0882-0.0138 0.0464 ( 8304 PWs) bands (ev): -13.7812 -13.7812 -13.3949 -13.3949 -12.0384 -12.0384 -11.9491 -11.9491 -11.7789 -11.7789 -11.5483 -11.5483 -9.5671 -9.5671 -9.2493 -9.2493 -3.2046 -3.2046 -2.8567 -2.8567 -2.7241 -2.7241 -2.4805 -2.4805 -1.3346 -1.3346 -0.5775 -0.5775 -0.4579 -0.4579 -0.3209 -0.3209 -0.1383 -0.1383 -0.0307 -0.0307 0.1485 0.1485 0.3340 0.3340 0.6559 0.6559 0.7216 0.7216 0.7720 0.7720 0.8538 0.8538 1.0201 1.0201 1.1543 1.1543 1.7232 1.7232 1.8552 1.8552 4.6414 4.6414 5.0456 5.0456 5.2275 5.2275 5.5040 5.5040 8.5761 8.5761 9.8963 9.8963 k = 0.0735-0.0115 0.0386 ( 8306 PWs) bands (ev): -13.7859 -13.7859 -13.3922 -13.3922 -12.0358 -12.0358 -11.9503 -11.9503 -11.7750 -11.7750 -11.5516 -11.5516 -9.5557 -9.5557 -9.2607 -9.2607 -3.1884 -3.1884 -2.8556 -2.8556 -2.7215 -2.7215 -2.4781 -2.4781 -1.3213 -1.3213 -0.5797 -0.5797 -0.4608 -0.4608 -0.3256 -0.3256 -0.1584 -0.1584 -0.0457 -0.0457 0.1449 0.1449 0.3310 0.3310 0.6401 0.6401 0.7391 0.7391 0.7662 0.7662 0.8664 0.8664 1.0144 1.0144 1.1468 1.1468 1.7213 1.7213 1.8397 1.8397 4.6400 4.6400 5.0656 5.0656 5.2452 5.2452 5.5239 5.5239 8.5506 8.5506 9.8736 9.8736 k = 0.0588-0.0092 0.0309 ( 8303 PWs) bands (ev): -13.7897 -13.7897 -13.3900 -13.3900 -12.0336 -12.0336 -11.9513 -11.9513 -11.7718 -11.7718 -11.5544 -11.5544 -9.5452 -9.5452 -9.2712 -9.2712 -3.1739 -3.1739 -2.8549 -2.8549 -2.7208 -2.7208 -2.4758 -2.4758 -1.3099 -1.3099 -0.5803 -0.5803 -0.4626 -0.4626 -0.3319 -0.3319 -0.1751 -0.1751 -0.0565 -0.0565 0.1418 0.1418 0.3282 0.3282 0.6234 0.6234 0.7500 0.7500 0.7664 0.7664 0.8811 0.8811 1.0081 1.0081 1.1399 1.1399 1.7195 1.7195 1.8267 1.8267 4.6383 4.6383 5.0824 5.0824 5.2600 5.2600 5.5406 5.5406 8.5295 8.5295 9.8545 9.8545 k = 0.0441-0.0069 0.0232 ( 8301 PWs) bands (ev): -13.7926 -13.7926 -13.3882 -13.3882 -12.0320 -12.0320 -11.9521 -11.9521 -11.7692 -11.7692 -11.5568 -11.5568 -9.5360 -9.5360 -9.2804 -9.2804 -3.1616 -3.1616 -2.8546 -2.8546 -2.7213 -2.7213 -2.4736 -2.4736 -1.3005 -1.3005 -0.5802 -0.5802 -0.4627 -0.4627 -0.3399 -0.3399 -0.1878 -0.1878 -0.0637 -0.0637 0.1392 0.1392 0.3258 0.3258 0.6086 0.6086 0.7486 0.7486 0.7776 0.7776 0.8956 0.8956 1.0013 1.0013 1.1340 1.1340 1.7180 1.7180 1.8163 1.8163 4.6367 4.6367 5.0958 5.0958 5.2716 5.2716 5.5538 5.5538 8.5130 8.5130 9.8393 9.8393 k = 0.0294-0.0046 0.0155 ( 8300 PWs) bands (ev): -13.7948 -13.7948 -13.3869 -13.3869 -12.0308 -12.0308 -11.9526 -11.9526 -11.7674 -11.7674 -11.5585 -11.5585 -9.5287 -9.5287 -9.2876 -9.2876 -3.1522 -3.1522 -2.8546 -2.8546 -2.7223 -2.7223 -2.4718 -2.4718 -1.2936 -1.2936 -0.5799 -0.5799 -0.4615 -0.4615 -0.3483 -0.3483 -0.1966 -0.1966 -0.0679 -0.0679 0.1372 0.1372 0.3239 0.3239 0.5971 0.5971 0.7455 0.7455 0.7885 0.7885 0.9081 0.9081 0.9947 0.9947 1.1294 1.1294 1.7169 1.7169 1.8089 1.8089 4.6354 4.6354 5.1054 5.1054 5.2801 5.2801 5.5633 5.5633 8.5010 8.5010 9.8283 9.8283 k = 0.0147-0.0023 0.0077 ( 8293 PWs) bands (ev): -13.7961 -13.7961 -13.3861 -13.3861 -12.0301 -12.0301 -11.9530 -11.9530 -11.7662 -11.7662 -11.5595 -11.5595 -9.5241 -9.5241 -9.2922 -9.2922 -3.1463 -3.1463 -2.8546 -2.8546 -2.7232 -2.7232 -2.4707 -2.4707 -1.2893 -1.2893 -0.5795 -0.5795 -0.4598 -0.4598 -0.3549 -0.3549 -0.2017 -0.2017 -0.0699 -0.0699 0.1360 0.1360 0.3227 0.3227 0.5899 0.5899 0.7435 0.7435 0.7956 0.7956 0.9170 0.9170 0.9895 0.9895 1.1265 1.1265 1.7162 1.7162 1.8044 1.8044 4.6345 4.6345 5.1113 5.1113 5.2852 5.2852 5.5690 5.5690 8.4938 8.4938 9.8216 9.8216 k = 0.0000 0.0000 0.0000 ( 8287 PWs) bands (ev): -13.7965 -13.7965 -13.3859 -13.3859 -12.0298 -12.0298 -11.9531 -11.9531 -11.7659 -11.7659 -11.5598 -11.5598 -9.5224 -9.5224 -9.2938 -9.2938 -3.1443 -3.1443 -2.8546 -2.8546 -2.7236 -2.7236 -2.4703 -2.4703 -1.2879 -1.2879 -0.5794 -0.5794 -0.4590 -0.4590 -0.3575 -0.3575 -0.2034 -0.2034 -0.0706 -0.0706 0.1356 0.1356 0.3223 0.3223 0.5874 0.5874 0.7428 0.7428 0.7981 0.7981 0.9203 0.9203 0.9874 0.9874 1.1254 1.1254 1.7159 1.7159 1.8029 1.8029 4.6342 4.6342 5.1132 5.1132 5.2869 5.2869 5.5710 5.5710 8.4914 8.4914 9.8194 9.8194 k = 0.0000 0.0000 0.0000 ( 8287 PWs) bands (ev): -13.7965 -13.7965 -13.3859 -13.3859 -12.0298 -12.0298 -11.9531 -11.9531 -11.7659 -11.7659 -11.5598 -11.5598 -9.5224 -9.5224 -9.2938 -9.2938 -3.1443 -3.1443 -2.8546 -2.8546 -2.7236 -2.7236 -2.4703 -2.4703 -1.2879 -1.2879 -0.5794 -0.5794 -0.4590 -0.4590 -0.3575 -0.3575 -0.2034 -0.2034 -0.0706 -0.0706 0.1356 0.1356 0.3223 0.3223 0.5874 0.5874 0.7428 0.7428 0.7981 0.7981 0.9203 0.9203 0.9874 0.9874 1.1254 1.1254 1.7159 1.7159 1.8029 1.8029 4.6342 4.6342 5.1132 5.1132 5.2869 5.2869 5.5710 5.5710 8.4914 8.4914 9.8194 9.8194 k = 0.0000 0.0157 0.0064 ( 8289 PWs) bands (ev): -13.7962 -13.7962 -13.3860 -13.3860 -12.0299 -12.0299 -11.9534 -11.9534 -11.7660 -11.7660 -11.5598 -11.5598 -9.5226 -9.5226 -9.2934 -9.2934 -3.1455 -3.1455 -2.8544 -2.8544 -2.7240 -2.7240 -2.4702 -2.4702 -1.2880 -1.2880 -0.5794 -0.5794 -0.4608 -0.4608 -0.3560 -0.3560 -0.2019 -0.2019 -0.0693 -0.0693 0.1369 0.1369 0.3226 0.3226 0.5878 0.5878 0.7416 0.7416 0.7960 0.7960 0.9218 0.9218 0.9881 0.9881 1.1258 1.1258 1.7136 1.7136 1.8055 1.8055 4.6339 4.6339 5.1123 5.1123 5.2859 5.2859 5.5696 5.5696 8.4944 8.4944 9.8198 9.8198 k = 0.0000 0.0313 0.0129 ( 8296 PWs) bands (ev): -13.7951 -13.7951 -13.3862 -13.3862 -12.0303 -12.0303 -11.9543 -11.9543 -11.7665 -11.7665 -11.5596 -11.5596 -9.5231 -9.5231 -9.2923 -9.2923 -3.1490 -3.1490 -2.8538 -2.8538 -2.7252 -2.7252 -2.4701 -2.4701 -1.2884 -1.2884 -0.5795 -0.5795 -0.4658 -0.4658 -0.3525 -0.3525 -0.1974 -0.1974 -0.0657 -0.0657 0.1410 0.1410 0.3238 0.3238 0.5889 0.5889 0.7381 0.7381 0.7903 0.7903 0.9261 0.9261 0.9900 0.9900 1.1268 1.1268 1.7073 1.7073 1.8126 1.8126 4.6329 4.6329 5.1095 5.1095 5.2831 5.2831 5.5654 5.5654 8.5033 8.5033 9.8210 9.8210 k = 0.0000 0.0470 0.0193 ( 8301 PWs) bands (ev): -13.7934 -13.7934 -13.3866 -13.3866 -12.0308 -12.0308 -11.9557 -11.9557 -11.7674 -11.7674 -11.5593 -11.5593 -9.5239 -9.5239 -9.2905 -9.2905 -3.1547 -3.1547 -2.8529 -2.8529 -2.7273 -2.7273 -2.4699 -2.4699 -1.2891 -1.2891 -0.5795 -0.5795 -0.4724 -0.4724 -0.3482 -0.3482 -0.1904 -0.1904 -0.0595 -0.0595 0.1478 0.1478 0.3257 0.3257 0.5908 0.5908 0.7321 0.7321 0.7824 0.7824 0.9323 0.9323 0.9930 0.9930 1.1284 1.1284 1.6984 1.6984 1.8229 1.8229 4.6313 4.6313 5.1048 5.1048 5.2785 5.2785 5.5585 5.5585 8.5179 8.5179 9.8230 9.8230 k = 0.0000 0.0626 0.0257 ( 8303 PWs) bands (ev): -13.7909 -13.7909 -13.3871 -13.3871 -12.0316 -12.0316 -11.9578 -11.9578 -11.7685 -11.7685 -11.5588 -11.5588 -9.5250 -9.5250 -9.2881 -9.2881 -3.1625 -3.1625 -2.8520 -2.8520 -2.7302 -2.7302 -2.4695 -2.4695 -1.2901 -1.2901 -0.5794 -0.5794 -0.4793 -0.4793 -0.3445 -0.3445 -0.1814 -0.1814 -0.0509 -0.0509 0.1574 0.1574 0.3285 0.3285 0.5934 0.5934 0.7238 0.7238 0.7737 0.7737 0.9395 0.9395 0.9968 0.9968 1.1305 1.1305 1.6879 1.6879 1.8352 1.8352 4.6290 4.6290 5.0982 5.0982 5.2722 5.2722 5.5492 5.5492 8.5383 8.5383 9.8255 9.8255 k = 0.0000 0.0783 0.0321 ( 8314 PWs) bands (ev): -13.7879 -13.7879 -13.3878 -13.3878 -12.0327 -12.0327 -11.9604 -11.9604 -11.7699 -11.7699 -11.5583 -11.5583 -9.5263 -9.5263 -9.2850 -9.2850 -3.1719 -3.1719 -2.8512 -2.8512 -2.7340 -2.7340 -2.4687 -2.4687 -1.2916 -1.2916 -0.5790 -0.5790 -0.4854 -0.4854 -0.3423 -0.3423 -0.1709 -0.1709 -0.0399 -0.0399 0.1695 0.1695 0.3320 0.3320 0.5968 0.5968 0.7131 0.7131 0.7656 0.7656 0.9472 0.9472 1.0012 1.0012 1.1329 1.1329 1.6765 1.6765 1.8489 1.8489 4.6260 4.6260 5.0896 5.0896 5.2642 5.2642 5.5378 5.5378 8.5641 8.5641 9.8287 9.8287 k = 0.0000 0.0940 0.0386 ( 8305 PWs) bands (ev): -13.7841 -13.7841 -13.3887 -13.3887 -12.0340 -12.0340 -11.9635 -11.9635 -11.7716 -11.7716 -11.5577 -11.5577 -9.5278 -9.5278 -9.2813 -9.2813 -3.1829 -3.1829 -2.8507 -2.8507 -2.7385 -2.7385 -2.4676 -2.4676 -1.2935 -1.2935 -0.5781 -0.5781 -0.4905 -0.4905 -0.3419 -0.3419 -0.1593 -0.1593 -0.0268 -0.0268 0.1839 0.1839 0.3362 0.3362 0.6011 0.6011 0.7004 0.7004 0.7590 0.7590 0.9548 0.9548 1.0059 1.0059 1.1355 1.1355 1.6645 1.6645 1.8635 1.8635 4.6221 4.6221 5.0789 5.0789 5.2547 5.2547 5.5245 5.5245 8.5952 8.5952 9.8323 9.8323 k = 0.0000 0.1096 0.0450 ( 8315 PWs) bands (ev): -13.7797 -13.7797 -13.3897 -13.3897 -12.0356 -12.0356 -11.9671 -11.9671 -11.7733 -11.7733 -11.5570 -11.5570 -9.5296 -9.5296 -9.2771 -9.2771 -3.1950 -3.1950 -2.8507 -2.8507 -2.7439 -2.7439 -2.4660 -2.4660 -1.2958 -1.2958 -0.5764 -0.5764 -0.4946 -0.4946 -0.3434 -0.3434 -0.1472 -0.1472 -0.0119 -0.0119 0.2003 0.2003 0.3411 0.3411 0.6063 0.6063 0.6867 0.6867 0.7545 0.7545 0.9620 0.9620 1.0109 1.0109 1.1382 1.1382 1.6522 1.6522 1.8786 1.8786 4.6173 4.6173 5.0662 5.0662 5.2436 5.2436 5.5098 5.5098 8.6313 8.6313 9.8365 9.8365 k = 0.0000 0.1253 0.0514 ( 8313 PWs) bands (ev): -13.7747 -13.7747 -13.3909 -13.3909 -12.0374 -12.0374 -11.9711 -11.9711 -11.7752 -11.7752 -11.5563 -11.5563 -9.5315 -9.5315 -9.2724 -9.2724 -3.2081 -3.2081 -2.8513 -2.8513 -2.7501 -2.7501 -2.4638 -2.4638 -1.2985 -1.2985 -0.5738 -0.5738 -0.4980 -0.4980 -0.3466 -0.3466 -0.1345 -0.1345 0.0046 0.0046 0.2181 0.2181 0.3463 0.3463 0.6125 0.6125 0.6728 0.6728 0.7523 0.7523 0.9686 0.9686 1.0161 1.0161 1.1408 1.1408 1.6397 1.6397 1.8941 1.8941 4.6115 4.6115 5.0514 5.0514 5.2311 5.2311 5.4943 5.4943 8.6721 8.6721 9.8411 9.8411 k = 0.0000 0.1409 0.0579 ( 8312 PWs) bands (ev): -13.7691 -13.7691 -13.3924 -13.3924 -12.0395 -12.0395 -11.9756 -11.9756 -11.7772 -11.7772 -11.5555 -11.5555 -9.5335 -9.5335 -9.2674 -9.2674 -3.2218 -3.2218 -2.8527 -2.8527 -2.7570 -2.7570 -2.4610 -2.4610 -1.3014 -1.3014 -0.5704 -0.5704 -0.5013 -0.5013 -0.3508 -0.3508 -0.1215 -0.1215 0.0222 0.0222 0.2366 0.2366 0.3516 0.3516 0.6191 0.6191 0.6602 0.6602 0.7526 0.7526 0.9745 0.9745 1.0213 1.0213 1.1431 1.1431 1.6271 1.6271 1.9098 1.9098 4.6047 4.6047 5.0345 5.0345 5.2172 5.2172 5.4785 5.4785 8.7172 8.7172 9.8464 9.8464 k = 0.0000 0.1566 0.0643 ( 8311 PWs) bands (ev): -13.7629 -13.7629 -13.3940 -13.3940 -12.0419 -12.0419 -11.9805 -11.9805 -11.7791 -11.7791 -11.5547 -11.5547 -9.5356 -9.5356 -9.2620 -9.2620 -3.2361 -3.2361 -2.8549 -2.8549 -2.7646 -2.7646 -2.4575 -2.4575 -1.3045 -1.3045 -0.5663 -0.5663 -0.5049 -0.5049 -0.3555 -0.3555 -0.1082 -0.1082 0.0408 0.0408 0.2553 0.2553 0.3563 0.3563 0.6237 0.6237 0.6525 0.6525 0.7556 0.7556 0.9796 0.9796 1.0265 1.0265 1.1452 1.1452 1.6145 1.6145 1.9254 1.9254 4.5966 4.5966 5.0155 5.0155 5.2019 5.2019 5.4628 5.4628 8.7663 8.7663 9.8523 9.8523 k = 0.0000 0.1722 0.0707 ( 8310 PWs) bands (ev): -13.7561 -13.7561 -13.3959 -13.3959 -12.0446 -12.0446 -11.9857 -11.9857 -11.7810 -11.7810 -11.5538 -11.5538 -9.5377 -9.5377 -9.2565 -9.2565 -3.2506 -3.2506 -2.8578 -2.8578 -2.7729 -2.7729 -2.4535 -2.4535 -1.3074 -1.3074 -0.5624 -0.5624 -0.5091 -0.5091 -0.3596 -0.3596 -0.0947 -0.0947 0.0598 0.0598 0.2735 0.2735 0.3603 0.3603 0.6206 0.6206 0.6562 0.6562 0.7613 0.7613 0.9838 0.9838 1.0317 1.0317 1.1471 1.1471 1.6019 1.6019 1.9410 1.9410 4.5873 4.5873 4.9944 4.9944 5.1856 5.1856 5.4478 5.4478 8.8189 8.8189 9.8588 9.8588 k = 0.0000 0.1879 0.0772 ( 8316 PWs) bands (ev): -13.7489 -13.7489 -13.3980 -13.3980 -12.0475 -12.0475 -11.9913 -11.9913 -11.7828 -11.7828 -11.5530 -11.5530 -9.5399 -9.5399 -9.2507 -9.2507 -3.2653 -3.2653 -2.8614 -2.8614 -2.7817 -2.7817 -2.4489 -2.4489 -1.3101 -1.3101 -0.5606 -0.5606 -0.5131 -0.5131 -0.3624 -0.3624 -0.0809 -0.0809 0.0790 0.0790 0.2909 0.2909 0.3632 0.3632 0.6131 0.6131 0.6687 0.6687 0.7696 0.7696 0.9871 0.9871 1.0366 1.0366 1.1488 1.1488 1.5895 1.5895 1.9563 1.9563 4.5767 4.5767 4.9712 4.9712 5.1684 5.1684 5.4338 5.4338 8.8747 8.8747 9.8661 9.8661 k = 0.0000 0.2036 0.0836 ( 8309 PWs) bands (ev): -13.7412 -13.7412 -13.4004 -13.4004 -12.0507 -12.0507 -11.9971 -11.9971 -11.7844 -11.7844 -11.5522 -11.5522 -9.5421 -9.5421 -9.2448 -9.2448 -3.2799 -3.2799 -2.8657 -2.8657 -2.7910 -2.7910 -2.4438 -2.4438 -1.3121 -1.3121 -0.5641 -0.5641 -0.5144 -0.5144 -0.3632 -0.3632 -0.0668 -0.0668 0.0976 0.0976 0.3070 0.3070 0.3652 0.3652 0.6062 0.6062 0.6853 0.6853 0.7804 0.7804 0.9896 0.9896 1.0413 1.0413 1.1506 1.1506 1.5773 1.5773 1.9713 1.9713 4.5648 4.5648 4.9459 4.9459 5.1508 5.1508 5.4211 5.4211 8.9330 8.9330 9.8739 9.8739 k = 0.0000 0.2192 0.0900 ( 8312 PWs) bands (ev): -13.7330 -13.7330 -13.4030 -13.4030 -12.0540 -12.0540 -12.0030 -12.0030 -11.7859 -11.7859 -11.5515 -11.5515 -9.5442 -9.5442 -9.2388 -9.2388 -3.2943 -3.2943 -2.8705 -2.8705 -2.8006 -2.8006 -2.4384 -2.4384 -1.3135 -1.3135 -0.5750 -0.5750 -0.5114 -0.5114 -0.3618 -0.3618 -0.0525 -0.0525 0.1149 0.1149 0.3208 0.3208 0.3677 0.3677 0.6017 0.6017 0.7042 0.7042 0.7933 0.7933 0.9912 0.9912 1.0454 1.0454 1.1526 1.1526 1.5653 1.5653 1.9859 1.9859 4.5516 4.5516 4.9184 4.9184 5.1332 5.1332 5.4098 5.4098 8.9936 8.9936 9.8820 9.8820 k = 0.0000 0.2349 0.0964 ( 8307 PWs) bands (ev): -13.7245 -13.7245 -13.4059 -13.4059 -12.0575 -12.0575 -12.0092 -12.0092 -11.7872 -11.7872 -11.5507 -11.5507 -9.5463 -9.5463 -9.2329 -9.2329 -3.3083 -3.3083 -2.8758 -2.8758 -2.8104 -2.8104 -2.4326 -2.4326 -1.3138 -1.3138 -0.5922 -0.5922 -0.5050 -0.5050 -0.3584 -0.3584 -0.0379 -0.0379 0.1301 0.1301 0.3305 0.3305 0.3730 0.3730 0.6004 0.6004 0.7245 0.7245 0.8080 0.8080 0.9920 0.9920 1.0488 1.0488 1.1552 1.1552 1.5536 1.5536 2.0000 2.0000 4.5372 4.5372 4.8887 4.8887 5.1163 5.1163 5.3999 5.3999 9.0557 9.0557 9.8901 9.8901 k = 0.0000 0.2505 0.1029 ( 8308 PWs) bands (ev): -13.7156 -13.7156 -13.4091 -13.4091 -12.0611 -12.0611 -12.0154 -12.0154 -11.7883 -11.7883 -11.5500 -11.5500 -9.5483 -9.5483 -9.2270 -9.2270 -3.3220 -3.3220 -2.8814 -2.8814 -2.8203 -2.8203 -2.4267 -2.4267 -1.3130 -1.3130 -0.6141 -0.6141 -0.4968 -0.4968 -0.3534 -0.3534 -0.0232 -0.0232 0.1423 0.1423 0.3342 0.3342 0.3835 0.3835 0.6029 0.6029 0.7453 0.7453 0.8238 0.8238 0.9920 0.9920 1.0516 1.0516 1.1586 1.1586 1.5423 1.5423 2.0135 2.0135 4.5218 4.5218 4.8570 4.8570 5.1004 5.1004 5.3913 5.3913 9.1189 9.1189 9.8975 9.8975 k = 0.0000 0.2662 0.1093 ( 8308 PWs) bands (ev): -13.7064 -13.7064 -13.4126 -13.4126 -12.0648 -12.0648 -12.0217 -12.0217 -11.7892 -11.7892 -11.5494 -11.5494 -9.5503 -9.5503 -9.2212 -9.2212 -3.3351 -3.3351 -2.8874 -2.8874 -2.8301 -2.8301 -2.4207 -2.4207 -1.3108 -1.3108 -0.6391 -0.6391 -0.4878 -0.4878 -0.3471 -0.3471 -0.0083 -0.0083 0.1509 0.1509 0.3331 0.3331 0.3990 0.3990 0.6093 0.6093 0.7661 0.7661 0.8399 0.8399 0.9912 0.9912 1.0535 1.0535 1.1630 1.1630 1.5316 1.5316 2.0263 2.0263 4.5057 4.5057 4.8236 4.8236 5.0859 5.0859 5.3840 5.3840 9.1826 9.1826 9.9033 9.9033 k = 0.0000 0.2819 0.1157 ( 8308 PWs) bands (ev): -13.6971 -13.6971 -13.4163 -13.4163 -12.0685 -12.0685 -12.0281 -12.0281 -11.7899 -11.7899 -11.5487 -11.5487 -9.5522 -9.5522 -9.2156 -9.2156 -3.3477 -3.3477 -2.8935 -2.8935 -2.8396 -2.8396 -2.4148 -2.4148 -1.3073 -1.3073 -0.6665 -0.6665 -0.4786 -0.4786 -0.3400 -0.3400 0.0067 0.0067 0.1556 0.1556 0.3292 0.3292 0.4179 0.4179 0.6194 0.6194 0.7866 0.7866 0.8554 0.8554 0.9898 0.9898 1.0546 1.0546 1.1687 1.1687 1.5214 1.5214 2.0385 2.0385 4.4890 4.4890 4.7887 4.7887 5.0730 5.0730 5.3778 5.3778 9.2462 9.2462 9.9059 9.9059 k = 0.0000 0.2975 0.1222 ( 8310 PWs) bands (ev): -13.6876 -13.6876 -13.4204 -13.4204 -12.0720 -12.0720 -12.0343 -12.0343 -11.7905 -11.7905 -11.5482 -11.5482 -9.5539 -9.5539 -9.2102 -9.2102 -3.3595 -3.3595 -2.8998 -2.8998 -2.8488 -2.8488 -2.4090 -2.4090 -1.3022 -1.3022 -0.6956 -0.6956 -0.4693 -0.4693 -0.3325 -0.3325 0.0216 0.0216 0.1568 0.1568 0.3234 0.3234 0.4397 0.4397 0.6327 0.6327 0.8066 0.8066 0.8696 0.8696 0.9879 0.9879 1.0549 1.0549 1.1755 1.1755 1.5119 1.5119 2.0500 2.0500 4.4723 4.4723 4.7527 4.7527 5.0618 5.0618 5.3725 5.3725 9.3089 9.3089 9.9029 9.9029 k = 0.0000 0.3132 0.1286 ( 8310 PWs) bands (ev): -13.6780 -13.6780 -13.4246 -13.4246 -12.0755 -12.0755 -12.0405 -12.0405 -11.7908 -11.7908 -11.5477 -11.5477 -9.5556 -9.5556 -9.2050 -9.2050 -3.3707 -3.3707 -2.9061 -2.9061 -2.8576 -2.8576 -2.4033 -2.4033 -1.2955 -1.2955 -0.7258 -0.7258 -0.4602 -0.4602 -0.3249 -0.3249 0.0364 0.0364 0.1550 0.1550 0.3163 0.3163 0.4637 0.4637 0.6484 0.6484 0.8259 0.8259 0.8820 0.8820 0.9856 0.9856 1.0544 1.0544 1.1833 1.1833 1.5034 1.5034 2.0606 2.0606 4.4558 4.4558 4.7161 4.7161 5.0523 5.0523 5.3681 5.3681 9.3699 9.3699 9.8909 9.8909 k = 0.0000 0.3288 0.1350 ( 8303 PWs) bands (ev): -13.6684 -13.6684 -13.4292 -13.4292 -12.0787 -12.0787 -12.0465 -12.0465 -11.7911 -11.7911 -11.5472 -11.5472 -9.5571 -9.5571 -9.2002 -9.2002 -3.3810 -3.3810 -2.9124 -2.9124 -2.8657 -2.8657 -2.3979 -2.3979 -1.2872 -1.2872 -0.7567 -0.7567 -0.4514 -0.4514 -0.3174 -0.3174 0.0509 0.0509 0.1510 0.1510 0.3081 0.3081 0.4895 0.4895 0.6657 0.6657 0.8441 0.8441 0.8923 0.8923 0.9830 0.9830 1.0531 1.0531 1.1917 1.1917 1.4959 1.4959 2.0705 2.0705 4.4401 4.4401 4.6795 4.6795 5.0443 5.0443 5.3644 5.3644 9.4286 9.4286 9.8669 9.8669 k = 0.0000 0.3445 0.1415 ( 8299 PWs) bands (ev): -13.6589 -13.6589 -13.4338 -13.4338 -12.0817 -12.0817 -12.0523 -12.0523 -11.7912 -11.7912 -11.5468 -11.5468 -9.5585 -9.5585 -9.1957 -9.1957 -3.3904 -3.3904 -2.9185 -2.9185 -2.8732 -2.8732 -2.3929 -2.3929 -1.2774 -1.2774 -0.7879 -0.7879 -0.4430 -0.4430 -0.3103 -0.3103 0.0648 0.0648 0.1460 0.1460 0.2990 0.2990 0.5167 0.5167 0.6836 0.6836 0.8605 0.8605 0.9009 0.9009 0.9803 0.9803 1.0510 1.0510 1.2003 1.2003 1.4895 1.4895 2.0796 2.0796 4.4255 4.4255 4.6434 4.6434 5.0377 5.0377 5.3612 5.3612 9.4839 9.4839 9.8329 9.8329 k = 0.0000 0.3601 0.1479 ( 8304 PWs) bands (ev): -13.6496 -13.6496 -13.4387 -13.4387 -12.0844 -12.0844 -12.0579 -12.0579 -11.7912 -11.7912 -11.5464 -11.5464 -9.5598 -9.5598 -9.1916 -9.1916 -3.3990 -3.3990 -2.9244 -2.9244 -2.8799 -2.8799 -2.3883 -2.3883 -1.2660 -1.2660 -0.8191 -0.8191 -0.4352 -0.4352 -0.3037 -0.3037 0.0777 0.0777 0.1408 0.1408 0.2892 0.2892 0.5447 0.5447 0.7011 0.7011 0.8740 0.8740 0.9090 0.9090 0.9779 0.9779 1.0483 1.0483 1.2086 1.2086 1.4844 1.4844 2.0877 2.0877 4.4125 4.4125 4.6081 4.6081 5.0324 5.0324 5.3586 5.3586 9.5348 9.5348 9.7944 9.7944 k = 0.0000 0.3758 0.1543 ( 8300 PWs) bands (ev): -13.6407 -13.6407 -13.4435 -13.4435 -12.0866 -12.0866 -12.0631 -12.0631 -11.7911 -11.7911 -11.5461 -11.5461 -9.5609 -9.5609 -9.1878 -9.1878 -3.4066 -3.4066 -2.9299 -2.9299 -2.8859 -2.8859 -2.3841 -2.3841 -1.2533 -1.2533 -0.8497 -0.8497 -0.4280 -0.4280 -0.2976 -0.2976 0.0887 0.0887 0.1370 0.1370 0.2788 0.2788 0.5731 0.5731 0.7174 0.7174 0.8828 0.8828 0.9181 0.9181 0.9759 0.9759 1.0449 1.0449 1.2162 1.2162 1.4805 1.4805 2.0950 2.0950 4.4016 4.4016 4.5742 4.5742 5.0281 5.0281 5.3565 5.3565 9.5801 9.5801 9.7558 9.7558 k = 0.0000 0.3915 0.1607 ( 8304 PWs) bands (ev): -13.6323 -13.6323 -13.4483 -13.4483 -12.0885 -12.0885 -12.0680 -12.0680 -11.7910 -11.7910 -11.5458 -11.5458 -9.5619 -9.5619 -9.1846 -9.1846 -3.4133 -3.4133 -2.9349 -2.9349 -2.8910 -2.8910 -2.3804 -2.3804 -1.2393 -1.2393 -0.8796 -0.8796 -0.4215 -0.4215 -0.2923 -0.2923 0.0960 0.0960 0.1367 0.1367 0.2680 0.2680 0.6014 0.6014 0.7318 0.7318 0.8861 0.8861 0.9287 0.9287 0.9751 0.9751 1.0409 1.0409 1.2227 1.2227 1.4779 1.4779 2.1014 2.1014 4.3929 4.3929 4.5422 4.5422 5.0248 5.0248 5.3547 5.3547 9.6186 9.6186 9.7198 9.7198 k = 0.0000 0.4071 0.1672 ( 8306 PWs) bands (ev): -13.6246 -13.6246 -13.4529 -13.4529 -12.0898 -12.0898 -12.0724 -12.0724 -11.7909 -11.7909 -11.5456 -11.5456 -9.5628 -9.5628 -9.1818 -9.1818 -3.4190 -3.4190 -2.9394 -2.9394 -2.8954 -2.8954 -2.3772 -2.3772 -1.2246 -1.2246 -0.9081 -0.9081 -0.4159 -0.4159 -0.2877 -0.2877 0.0983 0.0983 0.1417 0.1417 0.2569 0.2569 0.6290 0.6290 0.7438 0.7438 0.8844 0.8844 0.9398 0.9398 0.9759 0.9759 1.0363 1.0363 1.2279 1.2279 1.4763 1.4763 2.1068 2.1068 4.3871 4.3871 4.5123 4.5123 5.0222 5.0222 5.3533 5.3533 9.6485 9.6485 9.6888 9.6888 k = 0.0000 0.4228 0.1736 ( 8309 PWs) bands (ev): -13.6178 -13.6178 -13.4571 -13.4571 -12.0907 -12.0907 -12.0764 -12.0764 -11.7907 -11.7907 -11.5454 -11.5454 -9.5635 -9.5635 -9.1794 -9.1794 -3.4237 -3.4237 -2.9432 -2.9432 -2.8989 -2.8989 -2.3745 -2.3745 -1.2094 -1.2094 -0.9346 -0.9346 -0.4111 -0.4111 -0.2840 -0.2840 0.0970 0.0970 0.1507 0.1507 0.2456 0.2456 0.6554 0.6554 0.7531 0.7531 0.8788 0.8788 0.9502 0.9502 0.9787 0.9787 1.0312 1.0312 1.2318 1.2318 1.4756 1.4756 2.1112 2.1112 4.3842 4.3842 4.4850 4.4850 5.0202 5.0202 5.3522 5.3522 9.6546 9.6546 9.6787 9.6787 k = 0.0000 0.4384 0.1800 ( 8307 PWs) bands (ev): -13.6121 -13.6121 -13.4608 -13.4608 -12.0911 -12.0911 -12.0799 -12.0799 -11.7906 -11.7906 -11.5452 -11.5452 -9.5640 -9.5640 -9.1776 -9.1776 -3.4273 -3.4273 -2.9463 -2.9463 -2.9016 -2.9016 -2.3724 -2.3724 -1.1947 -1.1947 -0.9582 -0.9582 -0.4072 -0.4072 -0.2810 -0.2810 0.0945 0.0945 0.1616 0.1616 0.2341 0.2341 0.6796 0.6796 0.7596 0.7596 0.8707 0.8707 0.9595 0.9595 0.9827 0.9827 1.0256 1.0256 1.2347 1.2347 1.4754 1.4754 2.1147 2.1147 4.3846 4.3846 4.4606 4.4606 5.0188 5.0188 5.3514 5.3514 9.6355 9.6355 9.6920 9.6920 k = 0.0000 0.4541 0.1865 ( 8302 PWs) bands (ev): -13.6078 -13.6078 -13.4636 -13.4636 -12.0910 -12.0910 -12.0827 -12.0827 -11.7905 -11.7905 -11.5451 -11.5451 -9.5644 -9.5644 -9.1763 -9.1763 -3.4300 -3.4300 -2.9485 -2.9485 -2.9036 -2.9036 -2.3709 -2.3709 -1.1818 -1.1818 -0.9776 -0.9776 -0.4045 -0.4045 -0.2789 -0.2789 0.0922 0.0922 0.1731 0.1731 0.2226 0.2226 0.7002 0.7002 0.7635 0.7635 0.8618 0.8618 0.9672 0.9672 0.9873 0.9873 1.0199 1.0199 1.2365 1.2365 1.4754 1.4754 2.1172 2.1172 4.3884 4.3884 4.4393 4.4393 5.0179 5.0179 5.3508 5.3508 9.6200 9.6200 9.7016 9.7016 k = 0.0000 0.4698 0.1929 ( 8304 PWs) bands (ev): -13.6051 -13.6051 -13.4654 -13.4654 -12.0906 -12.0906 -12.0848 -12.0848 -11.7904 -11.7904 -11.5451 -11.5451 -9.5647 -9.5647 -9.1755 -9.1755 -3.4315 -3.4315 -2.9499 -2.9499 -2.9048 -2.9048 -2.3700 -2.3700 -1.1725 -1.1725 -0.9907 -0.9907 -0.4028 -0.4028 -0.2776 -0.2776 0.0906 0.0906 0.1845 0.1845 0.2114 0.2114 0.7150 0.7150 0.7652 0.7652 0.8546 0.8546 0.9725 0.9725 0.9913 0.9913 1.0148 1.0148 1.2375 1.2375 1.4756 1.4756 2.1187 2.1187 4.3957 4.3957 4.4213 4.4213 5.0173 5.0173 5.3504 5.3504 9.6105 9.6105 9.7068 9.7068 k = 0.0000 0.4854 0.1993 ( 8300 PWs) bands (ev): -13.6042 -13.6042 -13.4660 -13.4660 -12.0904 -12.0904 -12.0856 -12.0856 -11.7904 -11.7904 -11.5450 -11.5450 -9.5648 -9.5648 -9.1752 -9.1752 -3.4321 -3.4321 -2.9504 -2.9504 -2.9052 -2.9052 -2.3697 -2.3697 -1.1691 -1.1691 -0.9954 -0.9954 -0.4022 -0.4022 -0.2772 -0.2772 0.0901 0.0901 0.1919 0.1919 0.2040 0.2040 0.7205 0.7205 0.7655 0.7655 0.8517 0.8517 0.9744 0.9744 0.9932 0.9932 1.0125 1.0125 1.2378 1.2378 1.4756 1.4756 2.1192 2.1192 4.4052 4.4052 4.4082 4.4082 5.0172 5.0172 5.3503 5.3503 9.6072 9.6072 9.7084 9.7084 k = 0.5000 0.4070 0.1151 ( 8314 PWs) bands (ev): -13.5349 -13.5349 -13.4403 -13.4403 -12.0785 -12.0785 -12.0407 -12.0407 -11.8147 -11.8147 -11.6118 -11.6118 -9.5952 -9.5952 -9.4042 -9.4042 -3.0286 -3.0286 -2.8560 -2.8560 -2.6089 -2.6089 -2.4069 -2.4069 -2.0756 -2.0756 -0.9547 -0.9547 -0.6478 -0.6478 -0.3718 -0.3718 -0.1683 -0.1683 0.2146 0.2146 0.3576 0.3576 0.5288 0.5288 0.8189 0.8189 0.9343 0.9343 1.0499 1.0499 1.0961 1.0961 1.2091 1.2091 1.2247 1.2247 2.0008 2.0008 2.1825 2.1825 4.4915 4.4915 5.1465 5.1465 5.1642 5.1642 5.5959 5.5959 9.6978 9.6978 9.8762 9.8762 k = 0.4872 0.3966 0.1121 ( 8318 PWs) bands (ev): -13.5350 -13.5350 -13.4406 -13.4406 -12.0786 -12.0786 -12.0409 -12.0409 -11.8148 -11.8148 -11.6112 -11.6112 -9.5963 -9.5963 -9.4021 -9.4021 -3.0315 -3.0315 -2.8554 -2.8554 -2.6106 -2.6106 -2.4079 -2.4079 -2.0751 -2.0751 -0.9536 -0.9536 -0.6472 -0.6472 -0.3713 -0.3713 -0.1647 -0.1647 0.2128 0.2128 0.3591 0.3591 0.5330 0.5330 0.8186 0.8186 0.9336 0.9336 1.0487 1.0487 1.0964 1.0964 1.2083 1.2083 1.2245 1.2245 1.9997 1.9997 2.1830 2.1830 4.4911 4.4911 5.1416 5.1416 5.1633 5.1633 5.5935 5.5935 9.6938 9.6938 9.8784 9.8784 k = 0.4744 0.3862 0.1092 ( 8318 PWs) bands (ev): -13.5352 -13.5352 -13.4413 -13.4413 -12.0787 -12.0787 -12.0413 -12.0413 -11.8153 -11.8153 -11.6095 -11.6095 -9.5995 -9.5995 -9.3962 -9.3962 -3.0397 -3.0397 -2.8537 -2.8537 -2.6157 -2.6157 -2.4107 -2.4107 -2.0736 -2.0736 -0.9504 -0.9504 -0.6456 -0.6456 -0.3696 -0.3696 -0.1547 -0.1547 0.2079 0.2079 0.3635 0.3635 0.5451 0.5451 0.8180 0.8180 0.9315 0.9315 1.0452 1.0452 1.0970 1.0970 1.2060 1.2060 1.2239 1.2239 1.9963 1.9963 2.1844 2.1844 4.4897 4.4897 5.1289 5.1289 5.1589 5.1589 5.5865 5.5865 9.6825 9.6825 9.8844 9.8844 k = 0.4615 0.3757 0.1062 ( 8314 PWs) bands (ev): -13.5356 -13.5356 -13.4424 -13.4424 -12.0790 -12.0790 -12.0420 -12.0420 -11.8161 -11.8161 -11.6067 -11.6067 -9.6042 -9.6042 -9.3870 -9.3870 -3.0529 -3.0529 -2.8514 -2.8514 -2.6238 -2.6238 -2.4153 -2.4153 -2.0709 -2.0709 -0.9452 -0.9452 -0.6431 -0.6431 -0.3656 -0.3656 -0.1400 -0.1400 0.2008 0.2008 0.3713 0.3713 0.5638 0.5638 0.8168 0.8168 0.9282 0.9282 1.0400 1.0400 1.0976 1.0976 1.2024 1.2024 1.2226 1.2226 1.9909 1.9909 2.1865 2.1865 4.4873 4.4873 5.1102 5.1102 5.1493 5.1493 5.5756 5.5756 9.6653 9.6653 9.8928 9.8928 k = 0.4487 0.3653 0.1033 ( 8317 PWs) bands (ev): -13.5363 -13.5363 -13.4439 -13.4439 -12.0794 -12.0794 -12.0428 -12.0428 -11.8172 -11.8172 -11.6030 -11.6030 -9.6100 -9.6100 -9.3750 -9.3750 -3.0702 -3.0702 -2.8491 -2.8491 -2.6346 -2.6346 -2.4213 -2.4213 -2.0668 -2.0668 -0.9383 -0.9383 -0.6397 -0.6397 -0.3585 -0.3585 -0.1229 -0.1229 0.1928 0.1928 0.3828 0.3828 0.5875 0.5875 0.8153 0.8153 0.9238 0.9238 1.0338 1.0338 1.0978 1.0978 1.1978 1.1978 1.2207 1.2207 1.9836 1.9836 2.1891 2.1891 4.4836 4.4836 5.0864 5.0864 5.1340 5.1340 5.5616 5.5616 9.6437 9.6437 9.9023 9.9023 k = 0.4359 0.3549 0.1003 ( 8313 PWs) bands (ev): -13.5374 -13.5374 -13.4456 -13.4456 -12.0798 -12.0798 -12.0439 -12.0439 -11.8184 -11.8184 -11.5985 -11.5985 -9.6163 -9.6163 -9.3611 -9.3611 -3.0910 -3.0910 -2.8474 -2.8474 -2.6479 -2.6479 -2.4285 -2.4285 -2.0611 -2.0611 -0.9300 -0.9300 -0.6356 -0.6356 -0.3477 -0.3477 -0.1056 -0.1056 0.1853 0.1853 0.3980 0.3980 0.6145 0.6145 0.8134 0.8134 0.9187 0.9187 1.0272 1.0272 1.0972 1.0972 1.1924 1.1924 1.2181 1.2181 1.9745 1.9745 2.1919 2.1919 4.4782 4.4782 5.0577 5.0577 5.1137 5.1137 5.5456 5.5456 9.6189 9.6189 9.9120 9.9120 k = 0.4231 0.3444 0.0974 ( 8321 PWs) bands (ev): -13.5391 -13.5391 -13.4473 -13.4473 -12.0803 -12.0803 -12.0449 -12.0449 -11.8197 -11.8197 -11.5933 -11.5933 -9.6225 -9.6225 -9.3456 -9.3456 -3.1144 -3.1144 -2.8467 -2.8467 -2.6631 -2.6631 -2.4362 -2.4362 -2.0537 -2.0537 -0.9206 -0.9206 -0.6308 -0.6308 -0.3330 -0.3330 -0.0902 -0.0902 0.1792 0.1792 0.4164 0.4164 0.6435 0.6435 0.8115 0.8115 0.9129 0.9129 1.0208 1.0208 1.0960 1.0960 1.1866 1.1866 1.2148 1.2148 1.9640 1.9640 2.1946 2.1946 4.4710 4.4710 5.0240 5.0240 5.0896 5.0896 5.5285 5.5285 9.5914 9.5914 9.9213 9.9213 k = 0.4103 0.3340 0.0944 ( 8327 PWs) bands (ev): -13.5415 -13.5415 -13.4488 -13.4488 -12.0808 -12.0808 -12.0459 -12.0459 -11.8211 -11.8211 -11.5876 -11.5876 -9.6284 -9.6284 -9.3293 -9.3293 -3.1399 -3.1399 -2.8474 -2.8474 -2.6799 -2.6799 -2.4438 -2.4438 -2.0444 -2.0444 -0.9103 -0.9103 -0.6254 -0.6254 -0.3149 -0.3149 -0.0776 -0.0776 0.1752 0.1752 0.4368 0.4368 0.6728 0.6728 0.8103 0.8103 0.9065 0.9065 1.0149 1.0149 1.0944 1.0944 1.1805 1.1805 1.2110 1.2110 1.9521 1.9521 2.1969 2.1969 4.4616 4.4616 4.9845 4.9845 5.0641 5.0641 5.5112 5.5112 9.5618 9.5618 9.9301 9.9301 k = 0.3974 0.3235 0.0915 ( 8338 PWs) bands (ev): -13.5448 -13.5448 -13.4499 -13.4499 -12.0812 -12.0812 -12.0468 -12.0468 -11.8225 -11.8225 -11.5816 -11.5816 -9.6338 -9.6338 -9.3124 -9.3124 -3.1669 -3.1669 -2.8497 -2.8497 -2.6977 -2.6977 -2.4509 -2.4509 -2.0333 -2.0333 -0.8993 -0.8993 -0.6192 -0.6192 -0.2942 -0.2942 -0.0681 -0.0681 0.1733 0.1733 0.4573 0.4573 0.7010 0.7010 0.8107 0.8107 0.8995 0.8995 1.0101 1.0101 1.0930 1.0930 1.1746 1.1746 1.2067 1.2067 1.9391 1.9391 2.1985 2.1985 4.4498 4.4498 4.9390 4.9390 5.0395 5.0395 5.4943 5.4943 9.5303 9.5303 9.9384 9.9384 k = 0.3846 0.3131 0.0885 ( 8331 PWs) bands (ev): -13.5492 -13.5492 -13.4505 -13.4505 -12.0817 -12.0817 -12.0475 -12.0475 -11.8239 -11.8239 -11.5754 -11.5754 -9.6384 -9.6384 -9.2954 -9.2954 -3.1946 -3.1946 -2.8540 -2.8540 -2.7158 -2.7158 -2.4570 -2.4570 -2.0203 -2.0203 -0.8878 -0.8878 -0.6124 -0.6124 -0.2721 -0.2721 -0.0609 -0.0609 0.1732 0.1732 0.4756 0.4756 0.7264 0.7264 0.8143 0.8143 0.8916 0.8916 1.0063 1.0063 1.0925 1.0925 1.1692 1.1692 1.2023 1.2023 1.9251 1.9251 2.1992 2.1992 4.4357 4.4357 4.8879 4.8879 5.0176 5.0176 5.4780 5.4780 9.4971 9.4971 9.9462 9.9462 k = 0.3718 0.3027 0.0856 ( 8331 PWs) bands (ev): -13.5547 -13.5547 -13.4505 -13.4505 -12.0820 -12.0820 -12.0478 -12.0478 -11.8252 -11.8252 -11.5692 -11.5692 -9.6421 -9.6421 -9.2785 -9.2785 -3.2225 -3.2225 -2.8605 -2.8605 -2.7335 -2.7335 -2.4617 -2.4617 -2.0055 -2.0055 -0.8758 -0.8758 -0.6049 -0.6049 -0.2500 -0.2500 -0.0544 -0.0544 0.1742 0.1742 0.4888 0.4888 0.7473 0.7473 0.8224 0.8224 0.8831 0.8831 1.0030 1.0030 1.0938 1.0938 1.1648 1.1648 1.1981 1.1981 1.9103 1.9103 2.1989 2.1989 4.4196 4.4196 4.8325 4.8325 4.9993 4.9993 5.4623 5.4623 9.4623 9.4623 9.9536 9.9536 k = 0.3590 0.2922 0.0826 ( 8332 PWs) bands (ev): -13.5613 -13.5613 -13.4499 -13.4499 -12.0823 -12.0823 -12.0478 -12.0478 -11.8265 -11.8265 -11.5630 -11.5630 -9.6450 -9.6450 -9.2621 -9.2621 -3.2501 -3.2501 -2.8692 -2.8692 -2.7497 -2.7497 -2.4652 -2.4652 -1.9889 -1.9889 -0.8635 -0.8635 -0.5966 -0.5966 -0.2300 -0.2300 -0.0465 -0.0465 0.1756 0.1756 0.4950 0.4950 0.7628 0.7628 0.8337 0.8337 0.8756 0.8756 0.9991 0.9991 1.0974 1.0974 1.1616 1.1616 1.1952 1.1952 1.8947 1.8947 2.1973 2.1973 4.4023 4.4023 4.7745 4.7745 4.9852 4.9852 5.4474 5.4474 9.4261 9.4261 9.9607 9.9607 k = 0.3462 0.2818 0.0797 ( 8326 PWs) bands (ev): -13.5690 -13.5690 -13.4485 -13.4485 -12.0824 -12.0824 -12.0474 -12.0474 -11.8276 -11.8276 -11.5570 -11.5570 -9.6469 -9.6469 -9.2465 -9.2465 -3.2767 -3.2767 -2.8802 -2.8802 -2.7639 -2.7639 -2.4674 -2.4674 -1.9707 -1.9707 -0.8509 -0.8509 -0.5878 -0.5878 -0.2137 -0.2137 -0.0352 -0.0352 0.1769 0.1769 0.4935 0.4935 0.7730 0.7730 0.8389 0.8389 0.8771 0.8771 0.9939 0.9939 1.1024 1.1024 1.1592 1.1592 1.1954 1.1954 1.8786 1.8786 2.1942 2.1942 4.3849 4.3849 4.7156 4.7156 4.9751 4.9751 5.4330 5.4330 9.3884 9.3884 9.9676 9.9676 k = 0.3333 0.2714 0.0767 ( 8327 PWs) bands (ev): -13.5777 -13.5777 -13.4466 -13.4466 -12.0823 -12.0823 -12.0465 -12.0465 -11.8285 -11.8285 -11.5512 -11.5512 -9.6479 -9.6479 -9.2317 -9.2317 -3.3020 -3.3020 -2.8931 -2.8931 -2.7756 -2.7756 -2.4686 -2.4686 -1.9508 -1.9508 -0.8379 -0.8379 -0.5784 -0.5784 -0.2022 -0.2022 -0.0193 -0.0193 0.1775 0.1775 0.4849 0.4849 0.7779 0.7779 0.8327 0.8327 0.8911 0.8911 0.9875 0.9875 1.1072 1.1072 1.1563 1.1563 1.2011 1.2011 1.8621 1.8621 2.1897 2.1897 4.3686 4.3686 4.6577 4.6577 4.9688 4.9688 5.4193 5.4193 9.3495 9.3495 9.9744 9.9744 k = 0.3205 0.2609 0.0738 ( 8329 PWs) bands (ev): -13.5873 -13.5873 -13.4442 -13.4442 -12.0820 -12.0820 -12.0451 -12.0451 -11.8293 -11.8293 -11.5458 -11.5458 -9.6481 -9.6481 -9.2181 -9.2181 -3.3254 -3.3254 -2.9072 -2.9072 -2.7848 -2.7848 -2.4690 -2.4690 -1.9293 -1.9293 -0.8246 -0.8246 -0.5685 -0.5685 -0.1957 -0.1957 0.0013 0.0013 0.1769 0.1769 0.4705 0.4705 0.7750 0.7750 0.8250 0.8250 0.9070 0.9070 0.9809 0.9809 1.1104 1.1104 1.1523 1.1523 1.2124 1.2124 1.8455 1.8455 2.1836 2.1836 4.3550 4.3550 4.6027 4.6027 4.9659 4.9659 5.4062 5.4062 9.3093 9.3093 9.9811 9.9811 k = 0.3077 0.2505 0.0708 ( 8328 PWs) bands (ev): -13.5976 -13.5976 -13.4413 -13.4413 -12.0814 -12.0814 -12.0432 -12.0432 -11.8300 -11.8300 -11.5408 -11.5408 -9.6475 -9.6475 -9.2058 -9.2058 -3.3466 -3.3466 -2.9214 -2.9214 -2.7919 -2.7919 -2.4687 -2.4687 -1.9064 -1.9064 -0.8110 -0.8110 -0.5584 -0.5584 -0.1929 -0.1929 0.0255 0.0255 0.1748 0.1748 0.4519 0.4519 0.7625 0.7625 0.8218 0.8218 0.9178 0.9178 0.9763 0.9763 1.1114 1.1114 1.1480 1.1480 1.2271 1.2271 1.8291 1.8291 2.1760 2.1760 4.3453 4.3453 4.5522 4.5522 4.9658 4.9658 5.3937 5.3937 9.2681 9.2681 9.9878 9.9878 k = 0.2949 0.2400 0.0679 ( 8333 PWs) bands (ev): -13.6085 -13.6085 -13.4381 -13.4381 -12.0805 -12.0805 -12.0408 -12.0408 -11.8304 -11.8304 -11.5362 -11.5362 -9.6461 -9.6461 -9.1950 -9.1950 -3.3651 -3.3651 -2.9349 -2.9349 -2.7972 -2.7972 -2.4682 -2.4682 -1.8819 -1.8819 -0.7971 -0.7971 -0.5481 -0.5481 -0.1927 -0.1927 0.0516 0.0516 0.1708 0.1708 0.4307 0.4307 0.7425 0.7425 0.8220 0.8220 0.9197 0.9197 0.9758 0.9758 1.1098 1.1098 1.1444 1.1444 1.2419 1.2419 1.8130 1.8130 2.1667 2.1667 4.3407 4.3407 4.5079 4.5079 4.9680 4.9680 5.3819 5.3819 9.2258 9.2258 9.9944 9.9944 k = 0.2821 0.2296 0.0649 ( 8332 PWs) bands (ev): -13.6198 -13.6198 -13.4347 -13.4347 -12.0794 -12.0794 -12.0379 -12.0379 -11.8305 -11.8305 -11.5322 -11.5322 -9.6441 -9.6441 -9.1858 -9.1858 -3.3808 -3.3808 -2.9469 -2.9469 -2.8010 -2.8010 -2.4674 -2.4674 -1.8561 -1.8561 -0.7830 -0.7830 -0.5377 -0.5377 -0.1939 -0.1939 0.0778 0.0778 0.1650 0.1650 0.4083 0.4083 0.7180 0.7180 0.8232 0.8232 0.9136 0.9136 0.9782 0.9782 1.1051 1.1051 1.1416 1.1416 1.2546 1.2546 1.7976 1.7976 2.1560 2.1560 4.3419 4.3419 4.4717 4.4717 4.9719 4.9719 5.3709 5.3709 9.1827 9.1827 10.0006 10.0006 k = 0.2692 0.2192 0.0620 ( 8333 PWs) bands (ev): -13.6315 -13.6315 -13.4311 -13.4311 -12.0779 -12.0779 -12.0346 -12.0346 -11.8304 -11.8304 -11.5287 -11.5287 -9.6413 -9.6413 -9.1783 -9.1783 -3.3933 -3.3933 -2.9568 -2.9568 -2.8036 -2.8036 -2.4667 -2.4667 -1.8289 -1.8289 -0.7685 -0.7685 -0.5276 -0.5276 -0.1957 -0.1957 0.1003 0.1003 0.1598 0.1598 0.3857 0.3857 0.6907 0.6907 0.8242 0.8242 0.9032 0.9032 0.9804 0.9804 1.0979 1.0979 1.1384 1.1384 1.2634 1.2634 1.7832 1.7832 2.1439 2.1439 4.3485 4.3485 4.4456 4.4456 4.9771 4.9771 5.3609 5.3609 9.1389 9.1389 10.0057 10.0057 k = 0.2564 0.2087 0.0590 ( 8337 PWs) bands (ev): -13.6434 -13.6434 -13.4274 -13.4274 -12.0761 -12.0761 -12.0308 -12.0308 -11.8300 -11.8300 -11.5258 -11.5258 -9.6381 -9.6381 -9.1726 -9.1726 -3.4025 -3.4025 -2.9643 -2.9643 -2.8050 -2.8050 -2.4662 -2.4662 -1.8005 -1.8005 -0.7539 -0.7539 -0.5178 -0.5178 -0.1975 -0.1975 0.1091 0.1091 0.1640 0.1640 0.3639 0.3639 0.6612 0.6612 0.8246 0.8246 0.8907 0.8907 0.9805 0.9805 1.0890 1.0890 1.1330 1.1330 1.2673 1.2673 1.7698 1.7698 2.1304 2.1304 4.3582 4.3582 4.4331 4.4331 4.9832 4.9832 5.3520 5.3520 9.0946 9.0946 10.0060 10.0060 k = 0.2436 0.1983 0.0561 ( 8337 PWs) bands (ev): -13.6554 -13.6554 -13.4238 -13.4238 -12.0739 -12.0739 -12.0266 -12.0266 -11.8294 -11.8294 -11.5235 -11.5235 -9.6342 -9.6342 -9.1687 -9.1687 -3.4083 -3.4083 -2.9691 -2.9691 -2.8055 -2.8055 -2.4659 -2.4659 -1.7710 -1.7710 -0.7390 -0.7390 -0.5085 -0.5085 -0.1990 -0.1990 0.0985 0.0985 0.1823 0.1823 0.3435 0.3435 0.6300 0.6300 0.8238 0.8238 0.8776 0.8776 0.9779 0.9779 1.0790 1.0790 1.1245 1.1245 1.2660 1.2660 1.7577 1.7577 2.1158 2.1158 4.3666 4.3666 4.4388 4.4388 4.9900 4.9900 5.3446 5.3446 9.0500 9.0500 9.9940 9.9940 k = 0.2308 0.1879 0.0531 ( 8336 PWs) bands (ev): -13.6673 -13.6673 -13.4201 -13.4201 -12.0715 -12.0715 -12.0220 -12.0220 -11.8283 -11.8283 -11.5218 -11.5218 -9.6299 -9.6299 -9.1666 -9.1666 -3.4106 -3.4106 -2.9710 -2.9710 -2.8050 -2.8050 -2.4659 -2.4659 -1.7404 -1.7404 -0.7240 -0.7240 -0.5000 -0.5000 -0.2000 -0.2000 0.0776 0.0776 0.2053 0.2053 0.3250 0.3250 0.5977 0.5977 0.8216 0.8216 0.8648 0.8648 0.9720 0.9720 1.0678 1.0678 1.1132 1.1132 1.2597 1.2597 1.7468 1.7468 2.1001 2.1001 4.3733 4.3733 4.4627 4.4627 4.9973 4.9973 5.3387 5.3387 9.0053 9.0053 9.9767 9.9767 k = 0.2179 0.1774 0.0502 ( 8335 PWs) bands (ev): -13.6792 -13.6792 -13.4165 -13.4165 -12.0688 -12.0688 -12.0172 -12.0172 -11.8269 -11.8269 -11.5207 -11.5207 -9.6252 -9.6252 -9.1664 -9.1664 -3.4094 -3.4094 -2.9702 -2.9702 -2.8036 -2.8036 -2.4664 -2.4664 -1.7089 -1.7089 -0.7090 -0.7090 -0.4925 -0.4925 -0.2005 -0.2005 0.0514 0.0514 0.2269 0.2269 0.3091 0.3091 0.5645 0.5645 0.8168 0.8168 0.8534 0.8534 0.9622 0.9622 1.0549 1.0549 1.1004 1.1004 1.2492 1.2492 1.7371 1.7371 2.0836 2.0836 4.3828 4.3828 4.4994 4.4994 5.0051 5.0051 5.3347 5.3347 8.9608 8.9608 9.9596 9.9596 k = 0.2051 0.1670 0.0472 ( 8328 PWs) bands (ev): -13.6908 -13.6908 -13.4131 -13.4131 -12.0659 -12.0659 -12.0121 -12.0121 -11.8251 -11.8251 -11.5202 -11.5202 -9.6200 -9.6200 -9.1680 -9.1680 -3.4048 -3.4048 -2.9666 -2.9666 -2.8012 -2.8012 -2.4673 -2.4673 -1.6766 -1.6766 -0.6938 -0.6938 -0.4861 -0.4861 -0.2006 -0.2006 0.0221 0.0221 0.2416 0.2416 0.2990 0.2990 0.5311 0.5311 0.8085 0.8085 0.8445 0.8445 0.9480 0.9480 1.0393 1.0393 1.0882 1.0882 1.2357 1.2357 1.7283 1.7283 2.0661 2.0661 4.3972 4.3972 4.5445 4.5445 5.0137 5.0137 5.3328 5.3328 8.9168 8.9168 9.9437 9.9437 k = 0.1923 0.1566 0.0443 ( 8326 PWs) bands (ev): -13.7022 -13.7022 -13.4098 -13.4098 -12.0627 -12.0627 -12.0069 -12.0069 -11.8228 -11.8228 -11.5204 -11.5204 -9.6145 -9.6145 -9.1713 -9.1713 -3.3968 -3.3968 -2.9607 -2.9607 -2.7980 -2.7980 -2.4685 -2.4685 -1.6437 -1.6437 -0.6787 -0.6787 -0.4810 -0.4810 -0.2006 -0.2006 -0.0085 -0.0085 0.2408 0.2408 0.3017 0.3017 0.4981 0.4981 0.7966 0.7966 0.8383 0.8383 0.9290 0.9290 1.0210 1.0210 1.0780 1.0780 1.2206 1.2206 1.7206 1.7206 2.0480 2.0480 4.4168 4.4168 4.5955 4.5955 5.0232 5.0232 5.3331 5.3331 8.8734 8.8734 9.9292 9.9292 k = 0.1795 0.1461 0.0413 ( 8323 PWs) bands (ev): -13.7132 -13.7132 -13.4066 -13.4066 -12.0595 -12.0595 -12.0015 -12.0015 -11.8201 -11.8201 -11.5211 -11.5211 -9.6085 -9.6085 -9.1762 -9.1762 -3.3856 -3.3856 -2.9528 -2.9528 -2.7939 -2.7939 -2.4701 -2.4701 -1.6104 -1.6104 -0.6638 -0.6638 -0.4776 -0.4776 -0.2011 -0.2011 -0.0388 -0.0388 0.2261 0.2261 0.3135 0.3135 0.4661 0.4661 0.7821 0.7821 0.8333 0.8333 0.9058 0.9058 1.0013 1.0013 1.0696 1.0696 1.2054 1.2054 1.7137 1.7137 2.0292 2.0292 4.4405 4.4405 4.6502 4.6502 5.0343 5.0343 5.3359 5.3359 8.8311 8.8311 9.9158 9.9158 k = 0.1667 0.1357 0.0384 ( 8313 PWs) bands (ev): -13.7237 -13.7237 -13.4037 -13.4037 -12.0562 -12.0562 -11.9962 -11.9962 -11.8170 -11.8170 -11.5225 -11.5225 -9.6022 -9.6022 -9.1827 -9.1827 -3.3715 -3.3715 -2.9432 -2.9432 -2.7889 -2.7889 -2.4719 -2.4719 -1.5769 -1.5769 -0.6489 -0.6489 -0.4759 -0.4759 -0.2033 -0.2033 -0.0669 -0.0669 0.2050 0.2050 0.3250 0.3250 0.4366 0.4366 0.7660 0.7660 0.8278 0.8278 0.8805 0.8805 0.9817 0.9817 1.0624 1.0624 1.1911 1.1911 1.7077 1.7077 2.0100 2.0100 4.4670 4.4670 4.7068 4.7068 5.0477 5.0477 5.3413 5.3413 8.7900 8.7900 9.9036 9.9036 k = 0.1538 0.1252 0.0354 ( 8322 PWs) bands (ev): -13.7338 -13.7338 -13.4010 -13.4010 -12.0529 -12.0529 -11.9908 -11.9908 -11.8133 -11.8133 -11.5245 -11.5245 -9.5955 -9.5955 -9.1905 -9.1905 -3.3547 -3.3547 -2.9325 -2.9325 -2.7829 -2.7829 -2.4739 -2.4739 -1.5434 -1.5434 -0.6344 -0.6344 -0.4764 -0.4764 -0.2082 -0.2082 -0.0908 -0.0908 0.1800 0.1800 0.3300 0.3300 0.4121 0.4121 0.7489 0.7489 0.8192 0.8192 0.8569 0.8569 0.9634 0.9634 1.0555 1.0555 1.1786 1.1786 1.7027 1.7027 1.9903 1.9903 4.4945 4.4945 4.7634 4.7634 5.0639 5.0639 5.3495 5.3495 8.7505 8.7505 9.8923 9.8923 k = 0.1410 0.1148 0.0325 ( 8324 PWs) bands (ev): -13.7432 -13.7432 -13.3985 -13.3985 -12.0496 -12.0496 -11.9856 -11.9856 -11.8093 -11.8093 -11.5270 -11.5270 -9.5885 -9.5885 -9.1995 -9.1995 -3.3356 -3.3356 -2.9213 -2.9213 -2.7762 -2.7762 -2.4759 -2.4759 -1.5104 -1.5104 -0.6201 -0.6201 -0.4791 -0.4791 -0.2172 -0.2172 -0.1086 -0.1086 0.1523 0.1523 0.3232 0.3232 0.3964 0.3964 0.7314 0.7314 0.8039 0.8039 0.8404 0.8404 0.9472 0.9472 1.0486 1.0486 1.1680 1.1680 1.6986 1.6986 1.9703 1.9703 4.5215 4.5215 4.8181 4.8181 5.0836 5.0836 5.3609 5.3609 8.7129 8.7129 9.8818 9.8818 k = 0.1282 0.1044 0.0295 ( 8321 PWs) bands (ev): -13.7520 -13.7520 -13.3963 -13.3963 -12.0465 -12.0465 -11.9806 -11.9806 -11.8048 -11.8048 -11.5300 -11.5300 -9.5812 -9.5812 -9.2095 -9.2095 -3.3147 -3.3147 -2.9101 -2.9101 -2.7688 -2.7688 -2.4776 -2.4776 -1.4780 -1.4780 -0.6064 -0.6064 -0.4842 -0.4842 -0.2298 -0.2298 -0.1205 -0.1205 0.1225 0.1225 0.3042 0.3042 0.3888 0.3888 0.7142 0.7142 0.7838 0.7838 0.8308 0.8308 0.9337 0.9337 1.0418 1.0418 1.1594 1.1594 1.6956 1.6956 1.9503 1.9503 4.5464 4.5464 4.8696 4.8696 5.1065 5.1065 5.3756 5.3756 8.6774 8.6774 9.8721 9.8721 k = 0.1154 0.0939 0.0266 ( 8320 PWs) bands (ev): -13.7602 -13.7602 -13.3942 -13.3942 -12.0435 -12.0435 -11.9758 -11.9758 -11.7999 -11.7999 -11.5334 -11.5334 -9.5737 -9.5737 -9.2202 -9.2202 -3.2923 -3.2923 -2.8994 -2.8994 -2.7609 -2.7609 -2.4790 -2.4790 -1.4467 -1.4467 -0.5932 -0.5932 -0.4912 -0.4912 -0.2443 -0.2443 -0.1283 -0.1283 0.0918 0.0918 0.2789 0.2789 0.3833 0.3833 0.6978 0.6978 0.7648 0.7648 0.8240 0.8240 0.9233 0.9233 1.0349 1.0349 1.1524 1.1524 1.6937 1.6937 1.9302 1.9302 4.5683 4.5683 4.9166 4.9166 5.1321 5.1321 5.3939 5.3939 8.6443 8.6443 9.8630 9.8630 k = 0.1026 0.0835 0.0236 ( 8323 PWs) bands (ev): -13.7676 -13.7676 -13.3924 -13.3924 -12.0408 -12.0408 -11.9713 -11.9713 -11.7949 -11.7949 -11.5371 -11.5371 -9.5660 -9.5660 -9.2313 -9.2313 -3.2692 -3.2692 -2.8895 -2.8895 -2.7530 -2.7530 -2.4798 -2.4798 -1.4170 -1.4170 -0.5812 -0.5812 -0.4993 -0.4993 -0.2589 -0.2589 -0.1346 -0.1346 0.0611 0.0611 0.2517 0.2517 0.3764 0.3764 0.6816 0.6816 0.7501 0.7501 0.8180 0.8180 0.9160 0.9160 1.0282 1.0282 1.1465 1.1465 1.6930 1.6930 1.9105 1.9105 4.5866 4.5866 4.9588 4.9588 5.1588 5.1588 5.4158 5.4158 8.6138 8.6138 9.8545 9.8545 k = 0.0897 0.0731 0.0207 ( 8319 PWs) bands (ev): -13.7742 -13.7742 -13.3909 -13.3909 -12.0383 -12.0383 -11.9673 -11.9673 -11.7896 -11.7896 -11.5411 -11.5411 -9.5582 -9.5582 -9.2427 -9.2427 -3.2459 -3.2459 -2.8808 -2.8808 -2.7455 -2.7455 -2.4799 -2.4799 -1.3892 -1.3892 -0.5710 -0.5710 -0.5066 -0.5066 -0.2726 -0.2726 -0.1415 -0.1415 0.0316 0.0316 0.2250 0.2250 0.3677 0.3677 0.6650 0.6650 0.7411 0.7411 0.8127 0.8127 0.9116 0.9116 1.0216 1.0216 1.1417 1.1417 1.6936 1.6936 1.8912 1.8912 4.6011 4.6011 4.9959 4.9959 5.1852 5.1852 5.4407 5.4407 8.5863 8.5863 9.8468 9.8468 k = 0.0769 0.0626 0.0177 ( 8313 PWs) bands (ev): -13.7800 -13.7800 -13.3895 -13.3895 -12.0361 -12.0361 -11.9636 -11.9636 -11.7845 -11.7845 -11.5450 -11.5450 -9.5506 -9.5506 -9.2538 -9.2538 -3.2232 -3.2232 -2.8734 -2.8734 -2.7389 -2.7389 -2.4792 -2.4792 -1.3640 -1.3640 -0.5648 -0.5648 -0.5103 -0.5103 -0.2857 -0.2857 -0.1501 -0.1501 0.0046 0.0046 0.2005 0.2005 0.3580 0.3580 0.6482 0.6482 0.7370 0.7370 0.8082 0.8082 0.9096 0.9096 1.0151 1.0151 1.1375 1.1375 1.6954 1.6954 1.8726 1.8726 4.6122 4.6122 5.0278 5.0278 5.2098 5.2098 5.4673 5.4673 8.5619 8.5619 9.8399 9.8399 k = 0.0641 0.0522 0.0148 ( 8314 PWs) bands (ev): -13.7850 -13.7850 -13.3884 -13.3884 -12.0342 -12.0342 -11.9605 -11.9605 -11.7795 -11.7795 -11.5489 -11.5489 -9.5433 -9.5433 -9.2644 -9.2644 -3.2019 -3.2019 -2.8674 -2.8674 -2.7334 -2.7334 -2.4778 -2.4778 -1.3417 -1.3417 -0.5642 -0.5642 -0.5073 -0.5073 -0.2986 -0.2986 -0.1609 -0.1609 -0.0188 -0.0188 0.1795 0.1795 0.3483 0.3483 0.6318 0.6318 0.7365 0.7365 0.8045 0.8045 0.9097 0.9097 1.0087 1.0087 1.1339 1.1339 1.6984 1.6984 1.8550 1.8550 4.6203 4.6203 5.0546 5.0546 5.2318 5.2318 5.4942 5.4942 8.5408 8.5408 9.8339 9.8339 k = 0.0513 0.0417 0.0118 ( 8310 PWs) bands (ev): -13.7891 -13.7891 -13.3875 -13.3875 -12.0326 -12.0326 -11.9579 -11.9579 -11.7750 -11.7750 -11.5525 -11.5525 -9.5365 -9.5365 -9.2740 -9.2740 -3.1828 -3.1828 -2.8626 -2.8626 -2.7293 -2.7293 -2.4759 -2.4759 -1.3228 -1.3228 -0.5676 -0.5676 -0.4984 -0.4984 -0.3123 -0.3123 -0.1730 -0.1730 -0.0379 -0.0379 0.1627 0.1627 0.3395 0.3395 0.6170 0.6170 0.7378 0.7378 0.8018 0.8018 0.9114 0.9114 1.0026 1.0026 1.1310 1.1310 1.7023 1.7023 1.8389 1.8389 4.6261 4.6261 5.0762 5.0762 5.2506 5.2506 5.5192 5.5192 8.5233 8.5233 9.8288 9.8288 k = 0.0385 0.0313 0.0089 ( 8308 PWs) bands (ev): -13.7923 -13.7923 -13.3868 -13.3868 -12.0314 -12.0314 -11.9558 -11.9558 -11.7712 -11.7712 -11.5555 -11.5555 -9.5308 -9.5308 -9.2822 -9.2822 -3.1667 -3.1667 -2.8590 -2.8590 -2.7265 -2.7265 -2.4738 -2.4738 -1.3077 -1.3077 -0.5722 -0.5722 -0.4863 -0.4863 -0.3267 -0.3267 -0.1849 -0.1849 -0.0525 -0.0525 0.1503 0.1503 0.3321 0.3321 0.6046 0.6046 0.7396 0.7396 0.7999 0.7999 0.9141 0.9141 0.9969 0.9969 1.1286 1.1286 1.7068 1.7068 1.8247 1.8247 4.6300 4.6300 5.0927 5.0927 5.2660 5.2660 5.5407 5.5407 8.5094 8.5094 9.8247 9.8247 k = 0.0256 0.0209 0.0059 ( 8298 PWs) bands (ev): -13.7946 -13.7946 -13.3863 -13.3863 -12.0305 -12.0305 -11.9543 -11.9543 -11.7683 -11.7683 -11.5579 -11.5579 -9.5263 -9.5263 -9.2885 -9.2885 -3.1545 -3.1545 -2.8565 -2.8565 -2.7247 -2.7247 -2.4720 -2.4720 -1.2968 -1.2968 -0.5761 -0.5761 -0.4736 -0.4736 -0.3411 -0.3411 -0.1947 -0.1947 -0.0627 -0.0627 0.1419 0.1419 0.3267 0.3267 0.5952 0.5952 0.7413 0.7413 0.7988 0.7988 0.9170 0.9170 0.9920 0.9920 1.1269 1.1269 1.7112 1.7112 1.8133 1.8133 4.6324 4.6324 5.1042 5.1042 5.2774 5.2774 5.5572 5.5572 8.4995 8.4995 9.8218 9.8218 k = 0.0128 0.0104 0.0030 ( 8290 PWs) bands (ev): -13.7960 -13.7960 -13.3860 -13.3860 -12.0300 -12.0300 -11.9534 -11.9534 -11.7665 -11.7665 -11.5593 -11.5593 -9.5234 -9.5234 -9.2924 -9.2924 -3.1469 -3.1469 -2.8551 -2.8551 -2.7238 -2.7238 -2.4707 -2.4707 -1.2901 -1.2901 -0.5786 -0.5786 -0.4632 -0.4632 -0.3527 -0.3527 -0.2012 -0.2012 -0.0686 -0.0686 0.1371 0.1371 0.3234 0.3234 0.5894 0.5894 0.7424 0.7424 0.7983 0.7983 0.9194 0.9194 0.9886 0.9886 1.1258 1.1258 1.7146 1.7146 1.8056 1.8056 4.6338 4.6338 5.1110 5.1110 5.2845 5.2845 5.5675 5.5675 8.4935 8.4935 9.8200 9.8200 k = 0.0000 0.0000 0.0000 ( 8287 PWs) bands (ev): -13.7965 -13.7965 -13.3859 -13.3859 -12.0298 -12.0298 -11.9531 -11.9531 -11.7659 -11.7659 -11.5598 -11.5598 -9.5224 -9.5224 -9.2938 -9.2938 -3.1443 -3.1443 -2.8546 -2.8546 -2.7236 -2.7236 -2.4703 -2.4703 -1.2879 -1.2879 -0.5794 -0.5794 -0.4590 -0.4590 -0.3575 -0.3575 -0.2034 -0.2034 -0.0706 -0.0706 0.1356 0.1356 0.3223 0.3223 0.5874 0.5874 0.7428 0.7428 0.7981 0.7981 0.9203 0.9203 0.9874 0.9874 1.1254 1.1254 1.7159 1.7159 1.8029 1.8029 4.6342 4.6342 5.1132 5.1132 5.2869 5.2869 5.5710 5.5710 8.4914 8.4914 9.8194 9.8194 Writing output data file ICl3.save init_run : 0.28s CPU 0.42s WALL ( 1 calls) electrons : 318.59s CPU 322.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.03s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 318.59s CPU 322.16s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 232 calls) cegterg : 300.32s CPU 303.27s WALL ( 608 calls) Called by sum_band: Called by *egterg: h_psi : 137.09s CPU 139.78s WALL ( 10686 calls) s_psi : 14.32s CPU 14.34s WALL ( 10686 calls) g_psi : 0.23s CPU 0.24s WALL ( 9846 calls) cdiaghg : 132.58s CPU 132.86s WALL ( 10078 calls) cegterg:over : 11.31s CPU 11.65s WALL ( 9846 calls) cegterg:upda : 8.91s CPU 8.96s WALL ( 9846 calls) cegterg:last : 3.88s CPU 3.91s WALL ( 1072 calls) cdiaghg:chol : 5.67s CPU 5.59s WALL ( 10078 calls) cdiaghg:inve : 3.99s CPU 3.91s WALL ( 10078 calls) cdiaghg:para : 7.33s CPU 7.11s WALL ( 20156 calls) Called by h_psi: h_psi:vloc : 110.51s CPU 113.04s WALL ( 10686 calls) h_psi:vnl : 26.31s CPU 26.48s WALL ( 10686 calls) add_vuspsi : 14.15s CPU 14.20s WALL ( 10686 calls) General routines calbec : 12.13s CPU 12.24s WALL ( 10686 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 106.27s CPU 108.65s WALL ( 849812 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.18s WALL ( 464 calls) Parallel routines fft_scatter : 74.00s CPU 75.97s WALL ( 849835 calls) PWSCF : 5m50.58s CPU 6m 9.02s WALL This run was terminated on: 7: 4:42 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=