Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20: 8:36 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./K2Te2Pt.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 155 58 16 4573 1054 164 Max 157 59 17 4574 1074 167 Sum 5587 2121 611 164637 38339 5977 bravais-lattice index = 14 lattice parameter (alat) = 12.8023 a.u. unit-cell volume = 1082.2839 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.802287 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.830110 celldm(5)= -0.318030 celldm(6)= 0.148141 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.148141 0.988966 0.000000 ) a(3) = ( -0.318030 -0.791733 0.521551 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.149793 0.382386 ) b(2) = ( 0.000000 1.011157 1.534971 ) b(3) = ( 0.000000 0.000000 1.917357 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 K 9.00 39.09830 K( 1.00) Te 6.00 127.60000 Te( 1.00) Pt 10.00 195.08400 Pt( 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= 335 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( -0.0062390 0.0072431 0.0191532), wk = 0.0029851 k( 3) = ( -0.0124779 0.0144863 0.0383065), wk = 0.0029851 k( 4) = ( -0.0187169 0.0217294 0.0574598), wk = 0.0029851 k( 5) = ( -0.0249559 0.0289725 0.0766130), wk = 0.0029851 k( 6) = ( -0.0311948 0.0362156 0.0957663), wk = 0.0029851 k( 7) = ( -0.0374338 0.0434588 0.1149195), wk = 0.0029851 k( 8) = ( -0.0436728 0.0507019 0.1340728), wk = 0.0029851 k( 9) = ( -0.0499117 0.0579450 0.1532261), wk = 0.0029851 k( 10) = ( -0.0561507 0.0651881 0.1723793), wk = 0.0029851 k( 11) = ( -0.0623896 0.0724313 0.1915326), wk = 0.0029851 k( 12) = ( -0.0686286 0.0796744 0.2106858), wk = 0.0029851 k( 13) = ( -0.0748676 0.0869175 0.2298391), wk = 0.0029851 k( 14) = ( -0.0811065 0.0941606 0.2489924), wk = 0.0029851 k( 15) = ( -0.0873455 0.1014038 0.2681456), wk = 0.0029851 k( 16) = ( -0.0935845 0.1086469 0.2872989), wk = 0.0029851 k( 17) = ( -0.0998234 0.1158900 0.3064521), wk = 0.0029851 k( 18) = ( -0.1060624 0.1231332 0.3256054), wk = 0.0029851 k( 19) = ( -0.1123013 0.1303763 0.3447586), wk = 0.0029851 k( 20) = ( -0.1185403 0.1376194 0.3639119), wk = 0.0029851 k( 21) = ( -0.1247793 0.1448625 0.3830652), wk = 0.0029851 k( 22) = ( -0.1310182 0.1521057 0.4022184), wk = 0.0029851 k( 23) = ( -0.1372572 0.1593488 0.4213717), wk = 0.0029851 k( 24) = ( -0.1434962 0.1665919 0.4405249), wk = 0.0029851 k( 25) = ( -0.1497351 0.1738350 0.4596782), wk = 0.0029851 k( 26) = ( -0.1559741 0.1810782 0.4788315), wk = 0.0029851 k( 27) = ( -0.1622131 0.1883213 0.4979847), wk = 0.0029851 k( 28) = ( -0.1684520 0.1955644 0.5171380), wk = 0.0029851 k( 29) = ( -0.1746910 0.2028075 0.5362912), wk = 0.0029851 k( 30) = ( -0.1809300 0.2100507 0.5554445), wk = 0.0029851 k( 31) = ( -0.1871689 0.2172938 0.5745977), wk = 0.0029851 k( 32) = ( -0.1934079 0.2245369 0.5937510), wk = 0.0029851 k( 33) = ( -0.1996468 0.2317800 0.6129042), wk = 0.0029851 k( 34) = ( -0.2058858 0.2390232 0.6320575), wk = 0.0029851 k( 35) = ( -0.2121248 0.2462663 0.6512108), wk = 0.0029851 k( 36) = ( -0.2183637 0.2535094 0.6703640), wk = 0.0029851 k( 37) = ( -0.2246027 0.2607525 0.6895173), wk = 0.0029851 k( 38) = ( -0.2308417 0.2679957 0.7086705), wk = 0.0029851 k( 39) = ( -0.2370806 0.2752388 0.7278238), wk = 0.0029851 k( 40) = ( -0.2433196 0.2824819 0.7469771), wk = 0.0029851 k( 41) = ( -0.2495585 0.2897250 0.7661303), wk = 0.0029851 k( 42) = ( -0.2557975 0.2969682 0.7852836), wk = 0.0029851 k( 43) = ( -0.2620365 0.3042113 0.8044368), wk = 0.0029851 k( 44) = ( -0.2682754 0.3114544 0.8235901), wk = 0.0029851 k( 45) = ( -0.2745144 0.3186976 0.8427434), wk = 0.0029851 k( 46) = ( -0.2807534 0.3259407 0.8618966), wk = 0.0029851 k( 47) = ( -0.2869923 0.3331838 0.8810499), wk = 0.0029851 k( 48) = ( -0.2869923 0.3331838 0.8810499), wk = 0.0029851 k( 49) = ( -0.2757139 0.3200901 0.8896753), wk = 0.0029851 k( 50) = ( -0.2644355 0.3069965 0.8983007), wk = 0.0029851 k( 51) = ( -0.2531571 0.2939028 0.9069261), wk = 0.0029851 k( 52) = ( -0.2418787 0.2808092 0.9155515), wk = 0.0029851 k( 53) = ( -0.2306003 0.2677155 0.9241769), wk = 0.0029851 k( 54) = ( -0.2193219 0.2546218 0.9328023), wk = 0.0029851 k( 55) = ( -0.2080435 0.2415282 0.9414277), wk = 0.0029851 k( 56) = ( -0.1967651 0.2284345 0.9500531), wk = 0.0029851 k( 57) = ( -0.1854867 0.2153409 0.9586785), wk = 0.0029851 k( 58) = ( -0.1854867 0.2153409 0.9586785), wk = 0.0029851 k( 59) = ( -0.1722377 0.1999594 0.9586785), wk = 0.0029851 k( 60) = ( -0.1589886 0.1845779 0.9586785), wk = 0.0029851 k( 61) = ( -0.1457396 0.1691964 0.9586785), wk = 0.0029851 k( 62) = ( -0.1324905 0.1538149 0.9586785), wk = 0.0029851 k( 63) = ( -0.1192415 0.1384334 0.9586785), wk = 0.0029851 k( 64) = ( -0.1059924 0.1230519 0.9586785), wk = 0.0029851 k( 65) = ( -0.0927434 0.1076704 0.9586785), wk = 0.0029851 k( 66) = ( -0.0794943 0.0922889 0.9586785), wk = 0.0029851 k( 67) = ( -0.0662453 0.0769074 0.9586785), wk = 0.0029851 k( 68) = ( -0.0529962 0.0615260 0.9586785), wk = 0.0029851 k( 69) = ( -0.0397472 0.0461445 0.9586785), wk = 0.0029851 k( 70) = ( -0.0264981 0.0307630 0.9586785), wk = 0.0029851 k( 71) = ( -0.0132491 0.0153815 0.9586785), wk = 0.0029851 k( 72) = ( 0.0000000 0.0000000 0.9586785), wk = 0.0029851 k( 73) = ( 0.0000000 0.0000000 0.9586785), wk = 0.0029851 k( 74) = ( 0.0156250 0.0134588 0.9586785), wk = 0.0029851 k( 75) = ( 0.0312500 0.0269176 0.9586785), wk = 0.0029851 k( 76) = ( 0.0468750 0.0403764 0.9586785), wk = 0.0029851 k( 77) = ( 0.0625000 0.0538352 0.9586785), wk = 0.0029851 k( 78) = ( 0.0781250 0.0672940 0.9586785), wk = 0.0029851 k( 79) = ( 0.0937500 0.0807528 0.9586785), wk = 0.0029851 k( 80) = ( 0.1093750 0.0942116 0.9586785), wk = 0.0029851 k( 81) = ( 0.1250000 0.1076704 0.9586785), wk = 0.0029851 k( 82) = ( 0.1406250 0.1211292 0.9586785), wk = 0.0029851 k( 83) = ( 0.1562500 0.1345880 0.9586785), wk = 0.0029851 k( 84) = ( 0.1718750 0.1480468 0.9586785), wk = 0.0029851 k( 85) = ( 0.1875000 0.1615056 0.9586785), wk = 0.0029851 k( 86) = ( 0.2031250 0.1749644 0.9586785), wk = 0.0029851 k( 87) = ( 0.2187500 0.1884232 0.9586785), wk = 0.0029851 k( 88) = ( 0.2343750 0.2018820 0.9586785), wk = 0.0029851 k( 89) = ( 0.2500000 0.2153408 0.9586785), wk = 0.0029851 k( 90) = ( 0.2500000 0.2153408 0.9586785), wk = 0.0029851 k( 91) = ( 0.2375000 0.2298527 0.9491188), wk = 0.0029851 k( 92) = ( 0.2250000 0.2443646 0.9395592), wk = 0.0029851 k( 93) = ( 0.2125000 0.2588765 0.9299996), wk = 0.0029851 k( 94) = ( 0.2000000 0.2733884 0.9204399), wk = 0.0029851 k( 95) = ( 0.1875000 0.2879002 0.9108803), wk = 0.0029851 k( 96) = ( 0.1750000 0.3024121 0.9013206), wk = 0.0029851 k( 97) = ( 0.1625000 0.3169240 0.8917610), wk = 0.0029851 k( 98) = ( 0.1500000 0.3314359 0.8822013), wk = 0.0029851 k( 99) = ( 0.1375000 0.3459477 0.8726417), wk = 0.0029851 k( 100) = ( 0.1250000 0.3604596 0.8630820), wk = 0.0029851 k( 101) = ( 0.1125000 0.3749715 0.8535224), wk = 0.0029851 k( 102) = ( 0.1000000 0.3894834 0.8439627), wk = 0.0029851 k( 103) = ( 0.0875000 0.4039953 0.8344031), wk = 0.0029851 k( 104) = ( 0.0750000 0.4185071 0.8248434), wk = 0.0029851 k( 105) = ( 0.0625000 0.4330190 0.8152838), wk = 0.0029851 k( 106) = ( 0.0500000 0.4475309 0.8057241), wk = 0.0029851 k( 107) = ( 0.0375000 0.4620428 0.7961645), wk = 0.0029851 k( 108) = ( 0.0250000 0.4765546 0.7866048), wk = 0.0029851 k( 109) = ( 0.0125000 0.4910665 0.7770452), wk = 0.0029851 k( 110) = ( 0.0000000 0.5055784 0.7674855), wk = 0.0029851 k( 111) = ( 0.0000000 0.5055784 0.7674855), wk = 0.0029851 k( 112) = ( 0.0168819 0.5157193 0.7608053), wk = 0.0029851 k( 113) = ( 0.0337638 0.5258601 0.7541250), wk = 0.0029851 k( 114) = ( 0.0506457 0.5360010 0.7474448), wk = 0.0029851 k( 115) = ( 0.0675276 0.5461418 0.7407645), wk = 0.0029851 k( 116) = ( 0.0844095 0.5562827 0.7340843), wk = 0.0029851 k( 117) = ( 0.1012914 0.5664236 0.7274040), wk = 0.0029851 k( 118) = ( 0.1181733 0.5765644 0.7207238), wk = 0.0029851 k( 119) = ( 0.1350552 0.5867053 0.7140435), wk = 0.0029851 k( 120) = ( 0.1519371 0.5968461 0.7073632), wk = 0.0029851 k( 121) = ( 0.1688190 0.6069870 0.7006830), wk = 0.0029851 k( 122) = ( 0.1857009 0.6171278 0.6940027), wk = 0.0029851 k( 123) = ( 0.2025828 0.6272687 0.6873225), wk = 0.0029851 k( 124) = ( 0.2194647 0.6374095 0.6806422), wk = 0.0029851 k( 125) = ( 0.2363466 0.6475504 0.6739620), wk = 0.0029851 k( 126) = ( 0.2532285 0.6576913 0.6672817), wk = 0.0029851 k( 127) = ( 0.2701104 0.6678321 0.6606015), wk = 0.0029851 k( 128) = ( 0.2869923 0.6779730 0.6539212), wk = 0.0029851 k( 129) = ( 0.2869923 0.6779730 0.6539212), wk = 0.0029851 k( 130) = ( 0.2932573 0.6706997 0.6346882), wk = 0.0029851 k( 131) = ( 0.2995222 0.6634264 0.6154552), wk = 0.0029851 k( 132) = ( 0.3057871 0.6561532 0.5962223), wk = 0.0029851 k( 133) = ( 0.3120521 0.6488799 0.5769893), wk = 0.0029851 k( 134) = ( 0.3183170 0.6416066 0.5577563), wk = 0.0029851 k( 135) = ( 0.3245819 0.6343334 0.5385234), wk = 0.0029851 k( 136) = ( 0.3308469 0.6270601 0.5192904), wk = 0.0029851 k( 137) = ( 0.3371118 0.6197868 0.5000574), wk = 0.0029851 k( 138) = ( 0.3433767 0.6125135 0.4808244), wk = 0.0029851 k( 139) = ( 0.3496417 0.6052403 0.4615914), wk = 0.0029851 k( 140) = ( 0.3559066 0.5979670 0.4423585), wk = 0.0029851 k( 141) = ( 0.3621715 0.5906937 0.4231255), wk = 0.0029851 k( 142) = ( 0.3684364 0.5834204 0.4038925), wk = 0.0029851 k( 143) = ( 0.3747014 0.5761472 0.3846595), wk = 0.0029851 k( 144) = ( 0.3809663 0.5688739 0.3654265), wk = 0.0029851 k( 145) = ( 0.3872312 0.5616006 0.3461936), wk = 0.0029851 k( 146) = ( 0.3934962 0.5543273 0.3269606), wk = 0.0029851 k( 147) = ( 0.3997611 0.5470541 0.3077276), wk = 0.0029851 k( 148) = ( 0.4060260 0.5397808 0.2884946), wk = 0.0029851 k( 149) = ( 0.4122910 0.5325075 0.2692617), wk = 0.0029851 k( 150) = ( 0.4185559 0.5252343 0.2500287), wk = 0.0029851 k( 151) = ( 0.4248208 0.5179610 0.2307957), wk = 0.0029851 k( 152) = ( 0.4310858 0.5106877 0.2115627), wk = 0.0029851 k( 153) = ( 0.4373507 0.5034144 0.1923298), wk = 0.0029851 k( 154) = ( 0.4436156 0.4961412 0.1730968), wk = 0.0029851 k( 155) = ( 0.4498805 0.4888679 0.1538638), wk = 0.0029851 k( 156) = ( 0.4561455 0.4815946 0.1346308), wk = 0.0029851 k( 157) = ( 0.4624104 0.4743213 0.1153979), wk = 0.0029851 k( 158) = ( 0.4686753 0.4670481 0.0961649), wk = 0.0029851 k( 159) = ( 0.4749403 0.4597748 0.0769319), wk = 0.0029851 k( 160) = ( 0.4812052 0.4525015 0.0576989), wk = 0.0029851 k( 161) = ( 0.4874701 0.4452282 0.0384659), wk = 0.0029851 k( 162) = ( 0.4937351 0.4379550 0.0192330), wk = 0.0029851 k( 163) = ( 0.5000000 0.4306817 0.0000000), wk = 0.0029851 k( 164) = ( 0.5000000 0.4306817 0.0000000), wk = 0.0029851 k( 165) = ( 0.4838710 0.4167887 0.0000000), wk = 0.0029851 k( 166) = ( 0.4677419 0.4028958 0.0000000), wk = 0.0029851 k( 167) = ( 0.4516129 0.3890028 0.0000000), wk = 0.0029851 k( 168) = ( 0.4354839 0.3751099 0.0000000), wk = 0.0029851 k( 169) = ( 0.4193548 0.3612169 0.0000000), wk = 0.0029851 k( 170) = ( 0.4032258 0.3473240 0.0000000), wk = 0.0029851 k( 171) = ( 0.3870968 0.3334310 0.0000000), wk = 0.0029851 k( 172) = ( 0.3709677 0.3195380 0.0000000), wk = 0.0029851 k( 173) = ( 0.3548387 0.3056451 0.0000000), wk = 0.0029851 k( 174) = ( 0.3387097 0.2917521 0.0000000), wk = 0.0029851 k( 175) = ( 0.3225807 0.2778592 0.0000000), wk = 0.0029851 k( 176) = ( 0.3064516 0.2639662 0.0000000), wk = 0.0029851 k( 177) = ( 0.2903226 0.2500732 0.0000000), wk = 0.0029851 k( 178) = ( 0.2741936 0.2361803 0.0000000), wk = 0.0029851 k( 179) = ( 0.2580645 0.2222873 0.0000000), wk = 0.0029851 k( 180) = ( 0.2419355 0.2083944 0.0000000), wk = 0.0029851 k( 181) = ( 0.2258064 0.1945014 0.0000000), wk = 0.0029851 k( 182) = ( 0.2096774 0.1806085 0.0000000), wk = 0.0029851 k( 183) = ( 0.1935484 0.1667155 0.0000000), wk = 0.0029851 k( 184) = ( 0.1774194 0.1528225 0.0000000), wk = 0.0029851 k( 185) = ( 0.1612903 0.1389296 0.0000000), wk = 0.0029851 k( 186) = ( 0.1451613 0.1250366 0.0000000), wk = 0.0029851 k( 187) = ( 0.1290323 0.1111437 0.0000000), wk = 0.0029851 k( 188) = ( 0.1129032 0.0972507 0.0000000), wk = 0.0029851 k( 189) = ( 0.0967742 0.0833577 0.0000000), wk = 0.0029851 k( 190) = ( 0.0806452 0.0694648 0.0000000), wk = 0.0029851 k( 191) = ( 0.0645161 0.0555718 0.0000000), wk = 0.0029851 k( 192) = ( 0.0483871 0.0416789 0.0000000), wk = 0.0029851 k( 193) = ( 0.0322581 0.0277859 0.0000000), wk = 0.0029851 k( 194) = ( 0.0161290 0.0138930 0.0000000), wk = 0.0029851 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 197) = ( 0.0124530 -0.0144573 0.0095237), wk = 0.0029851 k( 198) = ( 0.0249059 -0.0289145 0.0190473), wk = 0.0029851 k( 199) = ( 0.0373588 -0.0433718 0.0285710), wk = 0.0029851 k( 200) = ( 0.0498118 -0.0578290 0.0380947), wk = 0.0029851 k( 201) = ( 0.0622648 -0.0722863 0.0476183), wk = 0.0029851 k( 202) = ( 0.0747177 -0.0867435 0.0571420), wk = 0.0029851 k( 203) = ( 0.0871707 -0.1012008 0.0666657), wk = 0.0029851 k( 204) = ( 0.0996236 -0.1156580 0.0761893), wk = 0.0029851 k( 205) = ( 0.1120765 -0.1301153 0.0857130), wk = 0.0029851 k( 206) = ( 0.1245295 -0.1445725 0.0952367), wk = 0.0029851 k( 207) = ( 0.1369825 -0.1590298 0.1047603), wk = 0.0029851 k( 208) = ( 0.1494354 -0.1734871 0.1142840), wk = 0.0029851 k( 209) = ( 0.1618883 -0.1879443 0.1238077), wk = 0.0029851 k( 210) = ( 0.1743413 -0.2024016 0.1333313), wk = 0.0029851 k( 211) = ( 0.1867942 -0.2168588 0.1428550), wk = 0.0029851 k( 212) = ( 0.1992472 -0.2313161 0.1523786), wk = 0.0029851 k( 213) = ( 0.2117001 -0.2457733 0.1619023), wk = 0.0029851 k( 214) = ( 0.2241531 -0.2602306 0.1714260), wk = 0.0029851 k( 215) = ( 0.2366060 -0.2746878 0.1809496), wk = 0.0029851 k( 216) = ( 0.2490590 -0.2891451 0.1904733), wk = 0.0029851 k( 217) = ( 0.2615119 -0.3036023 0.1999970), wk = 0.0029851 k( 218) = ( 0.2739649 -0.3180596 0.2095206), wk = 0.0029851 k( 219) = ( 0.2864178 -0.3325168 0.2190443), wk = 0.0029851 k( 220) = ( 0.2988708 -0.3469741 0.2285680), wk = 0.0029851 k( 221) = ( 0.3113237 -0.3614314 0.2380916), wk = 0.0029851 k( 222) = ( 0.3237767 -0.3758886 0.2476153), wk = 0.0029851 k( 223) = ( 0.3362296 -0.3903459 0.2571390), wk = 0.0029851 k( 224) = ( 0.3486826 -0.4048031 0.2666626), wk = 0.0029851 k( 225) = ( 0.3611355 -0.4192604 0.2761863), wk = 0.0029851 k( 226) = ( 0.3735885 -0.4337176 0.2857100), wk = 0.0029851 k( 227) = ( 0.3860414 -0.4481749 0.2952336), wk = 0.0029851 k( 228) = ( 0.3984944 -0.4626321 0.3047573), wk = 0.0029851 k( 229) = ( 0.3984944 -0.4626321 0.3047573), wk = 0.0029851 k( 230) = ( 0.4035697 -0.4432454 0.2990791), wk = 0.0029851 k( 231) = ( 0.4086450 -0.4238586 0.2934009), wk = 0.0029851 k( 232) = ( 0.4137202 -0.4044718 0.2877226), wk = 0.0029851 k( 233) = ( 0.4187955 -0.3850850 0.2820444), wk = 0.0029851 k( 234) = ( 0.4238708 -0.3656983 0.2763662), wk = 0.0029851 k( 235) = ( 0.4289461 -0.3463115 0.2706880), wk = 0.0029851 k( 236) = ( 0.4340213 -0.3269247 0.2650098), wk = 0.0029851 k( 237) = ( 0.4390966 -0.3075380 0.2593316), wk = 0.0029851 k( 238) = ( 0.4441719 -0.2881512 0.2536533), wk = 0.0029851 k( 239) = ( 0.4492472 -0.2687644 0.2479751), wk = 0.0029851 k( 240) = ( 0.4543225 -0.2493777 0.2422969), wk = 0.0029851 k( 241) = ( 0.4593978 -0.2299909 0.2366187), wk = 0.0029851 k( 242) = ( 0.4644730 -0.2106041 0.2309405), wk = 0.0029851 k( 243) = ( 0.4695483 -0.1912173 0.2252623), wk = 0.0029851 k( 244) = ( 0.4746236 -0.1718306 0.2195840), wk = 0.0029851 k( 245) = ( 0.4796989 -0.1524438 0.2139058), wk = 0.0029851 k( 246) = ( 0.4847742 -0.1330570 0.2082276), wk = 0.0029851 k( 247) = ( 0.4898494 -0.1136702 0.2025494), wk = 0.0029851 k( 248) = ( 0.4949247 -0.0942835 0.1968712), wk = 0.0029851 k( 249) = ( 0.5000000 -0.0748967 0.1911930), wk = 0.0029851 k( 250) = ( 0.5000000 -0.0748967 0.1911930), wk = 0.0029851 k( 251) = ( 0.4937500 -0.0676408 0.2103801), wk = 0.0029851 k( 252) = ( 0.4875000 -0.0603848 0.2295672), wk = 0.0029851 k( 253) = ( 0.4812500 -0.0531289 0.2487544), wk = 0.0029851 k( 254) = ( 0.4750000 -0.0458729 0.2679415), wk = 0.0029851 k( 255) = ( 0.4687500 -0.0386170 0.2871287), wk = 0.0029851 k( 256) = ( 0.4625000 -0.0313611 0.3063158), wk = 0.0029851 k( 257) = ( 0.4562500 -0.0241051 0.3255029), wk = 0.0029851 k( 258) = ( 0.4500000 -0.0168492 0.3446901), wk = 0.0029851 k( 259) = ( 0.4437500 -0.0095932 0.3638772), wk = 0.0029851 k( 260) = ( 0.4375000 -0.0023373 0.3830643), wk = 0.0029851 k( 261) = ( 0.4312500 0.0049186 0.4022515), wk = 0.0029851 k( 262) = ( 0.4250000 0.0121746 0.4214386), wk = 0.0029851 k( 263) = ( 0.4187500 0.0194305 0.4406258), wk = 0.0029851 k( 264) = ( 0.4125000 0.0266864 0.4598129), wk = 0.0029851 k( 265) = ( 0.4062500 0.0339424 0.4790000), wk = 0.0029851 k( 266) = ( 0.4000000 0.0411983 0.4981872), wk = 0.0029851 k( 267) = ( 0.3937500 0.0484543 0.5173743), wk = 0.0029851 k( 268) = ( 0.3875000 0.0557102 0.5365615), wk = 0.0029851 k( 269) = ( 0.3812500 0.0629661 0.5557486), wk = 0.0029851 k( 270) = ( 0.3750000 0.0702221 0.5749357), wk = 0.0029851 k( 271) = ( 0.3687500 0.0774780 0.5941229), wk = 0.0029851 k( 272) = ( 0.3625000 0.0847340 0.6133100), wk = 0.0029851 k( 273) = ( 0.3562500 0.0919899 0.6324971), wk = 0.0029851 k( 274) = ( 0.3500000 0.0992458 0.6516843), wk = 0.0029851 k( 275) = ( 0.3437500 0.1065018 0.6708714), wk = 0.0029851 k( 276) = ( 0.3375000 0.1137577 0.6900586), wk = 0.0029851 k( 277) = ( 0.3312500 0.1210136 0.7092457), wk = 0.0029851 k( 278) = ( 0.3250000 0.1282696 0.7284328), wk = 0.0029851 k( 279) = ( 0.3187500 0.1355255 0.7476200), wk = 0.0029851 k( 280) = ( 0.3125000 0.1427815 0.7668071), wk = 0.0029851 k( 281) = ( 0.3062500 0.1500374 0.7859943), wk = 0.0029851 k( 282) = ( 0.3000000 0.1572933 0.8051814), wk = 0.0029851 k( 283) = ( 0.2937500 0.1645493 0.8243685), wk = 0.0029851 k( 284) = ( 0.2875000 0.1718052 0.8435557), wk = 0.0029851 k( 285) = ( 0.2812500 0.1790612 0.8627428), wk = 0.0029851 k( 286) = ( 0.2750000 0.1863171 0.8819299), wk = 0.0029851 k( 287) = ( 0.2687500 0.1935730 0.9011171), wk = 0.0029851 k( 288) = ( 0.2625000 0.2008290 0.9203042), wk = 0.0029851 k( 289) = ( 0.2562500 0.2080849 0.9394914), wk = 0.0029851 k( 290) = ( 0.2500000 0.2153408 0.9586785), wk = 0.0029851 k( 291) = ( 0.1854867 -0.2153409 0.9586785), wk = 0.0029851 k( 292) = ( 0.1917517 -0.2226141 0.9394455), wk = 0.0029851 k( 293) = ( 0.1980166 -0.2298874 0.9202125), wk = 0.0029851 k( 294) = ( 0.2042815 -0.2371607 0.9009796), wk = 0.0029851 k( 295) = ( 0.2105464 -0.2444339 0.8817466), wk = 0.0029851 k( 296) = ( 0.2168114 -0.2517072 0.8625136), wk = 0.0029851 k( 297) = ( 0.2230763 -0.2589805 0.8432806), wk = 0.0029851 k( 298) = ( 0.2293412 -0.2662538 0.8240477), wk = 0.0029851 k( 299) = ( 0.2356062 -0.2735270 0.8048147), wk = 0.0029851 k( 300) = ( 0.2418711 -0.2808003 0.7855817), wk = 0.0029851 k( 301) = ( 0.2481360 -0.2880736 0.7663487), wk = 0.0029851 k( 302) = ( 0.2544010 -0.2953469 0.7471158), wk = 0.0029851 k( 303) = ( 0.2606659 -0.3026201 0.7278828), wk = 0.0029851 k( 304) = ( 0.2669308 -0.3098934 0.7086498), wk = 0.0029851 k( 305) = ( 0.2731958 -0.3171667 0.6894168), wk = 0.0029851 k( 306) = ( 0.2794607 -0.3244400 0.6701838), wk = 0.0029851 k( 307) = ( 0.2857256 -0.3317132 0.6509509), wk = 0.0029851 k( 308) = ( 0.2919906 -0.3389865 0.6317179), wk = 0.0029851 k( 309) = ( 0.2982555 -0.3462598 0.6124849), wk = 0.0029851 k( 310) = ( 0.3045204 -0.3535330 0.5932519), wk = 0.0029851 k( 311) = ( 0.3107854 -0.3608063 0.5740190), wk = 0.0029851 k( 312) = ( 0.3170503 -0.3680796 0.5547860), wk = 0.0029851 k( 313) = ( 0.3233152 -0.3753529 0.5355530), wk = 0.0029851 k( 314) = ( 0.3295802 -0.3826261 0.5163200), wk = 0.0029851 k( 315) = ( 0.3358451 -0.3898994 0.4970871), wk = 0.0029851 k( 316) = ( 0.3421100 -0.3971727 0.4778541), wk = 0.0029851 k( 317) = ( 0.3483749 -0.4044460 0.4586211), wk = 0.0029851 k( 318) = ( 0.3546399 -0.4117192 0.4393881), wk = 0.0029851 k( 319) = ( 0.3609048 -0.4189925 0.4201552), wk = 0.0029851 k( 320) = ( 0.3671697 -0.4262658 0.4009222), wk = 0.0029851 k( 321) = ( 0.3734347 -0.4335390 0.3816892), wk = 0.0029851 k( 322) = ( 0.3796996 -0.4408123 0.3624562), wk = 0.0029851 k( 323) = ( 0.3859645 -0.4480856 0.3432232), wk = 0.0029851 k( 324) = ( 0.3922295 -0.4553589 0.3239903), wk = 0.0029851 k( 325) = ( 0.3984944 -0.4626321 0.3047573), wk = 0.0029851 k( 326) = ( 0.6015056 0.3128387 0.0776286), wk = 0.0029851 k( 327) = ( 0.5902272 0.3259324 0.0690032), wk = 0.0029851 k( 328) = ( 0.5789488 0.3390261 0.0603778), wk = 0.0029851 k( 329) = ( 0.5676704 0.3521197 0.0517524), wk = 0.0029851 k( 330) = ( 0.5563920 0.3652134 0.0431270), wk = 0.0029851 k( 331) = ( 0.5451136 0.3783071 0.0345016), wk = 0.0029851 k( 332) = ( 0.5338352 0.3914007 0.0258762), wk = 0.0029851 k( 333) = ( 0.5225568 0.4044944 0.0172508), wk = 0.0029851 k( 334) = ( 0.5112784 0.4175880 0.0086254), wk = 0.0029851 k( 335) = ( 0.5000000 0.4306817 0.0000000), wk = 0.0029851 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( -0.0062390 0.0062390 0.0062390), wk = 0.0029851 k( 3) = ( -0.0124779 0.0124779 0.0124779), wk = 0.0029851 k( 4) = ( -0.0187169 0.0187169 0.0187169), wk = 0.0029851 k( 5) = ( -0.0249559 0.0249559 0.0249559), wk = 0.0029851 k( 6) = ( -0.0311948 0.0311948 0.0311948), wk = 0.0029851 k( 7) = ( -0.0374338 0.0374338 0.0374338), wk = 0.0029851 k( 8) = ( -0.0436728 0.0436728 0.0436727), wk = 0.0029851 k( 9) = ( -0.0499117 0.0499117 0.0499117), wk = 0.0029851 k( 10) = ( -0.0561507 0.0561507 0.0561507), wk = 0.0029851 k( 11) = ( -0.0623896 0.0623896 0.0623896), wk = 0.0029851 k( 12) = ( -0.0686286 0.0686286 0.0686286), wk = 0.0029851 k( 13) = ( -0.0748676 0.0748676 0.0748676), wk = 0.0029851 k( 14) = ( -0.0811065 0.0811065 0.0811065), wk = 0.0029851 k( 15) = ( -0.0873455 0.0873455 0.0873455), wk = 0.0029851 k( 16) = ( -0.0935845 0.0935845 0.0935845), wk = 0.0029851 k( 17) = ( -0.0998234 0.0998234 0.0998234), wk = 0.0029851 k( 18) = ( -0.1060624 0.1060624 0.1060624), wk = 0.0029851 k( 19) = ( -0.1123013 0.1123013 0.1123013), wk = 0.0029851 k( 20) = ( -0.1185403 0.1185403 0.1185403), wk = 0.0029851 k( 21) = ( -0.1247793 0.1247793 0.1247793), wk = 0.0029851 k( 22) = ( -0.1310182 0.1310182 0.1310182), wk = 0.0029851 k( 23) = ( -0.1372572 0.1372572 0.1372572), wk = 0.0029851 k( 24) = ( -0.1434962 0.1434962 0.1434962), wk = 0.0029851 k( 25) = ( -0.1497351 0.1497351 0.1497351), wk = 0.0029851 k( 26) = ( -0.1559741 0.1559741 0.1559741), wk = 0.0029851 k( 27) = ( -0.1622131 0.1622131 0.1622131), wk = 0.0029851 k( 28) = ( -0.1684520 0.1684520 0.1684520), wk = 0.0029851 k( 29) = ( -0.1746910 0.1746910 0.1746910), wk = 0.0029851 k( 30) = ( -0.1809300 0.1809300 0.1809300), wk = 0.0029851 k( 31) = ( -0.1871689 0.1871689 0.1871689), wk = 0.0029851 k( 32) = ( -0.1934079 0.1934079 0.1934079), wk = 0.0029851 k( 33) = ( -0.1996468 0.1996468 0.1996468), wk = 0.0029851 k( 34) = ( -0.2058858 0.2058858 0.2058858), wk = 0.0029851 k( 35) = ( -0.2121248 0.2121248 0.2121248), wk = 0.0029851 k( 36) = ( -0.2183637 0.2183637 0.2183637), wk = 0.0029851 k( 37) = ( -0.2246027 0.2246027 0.2246027), wk = 0.0029851 k( 38) = ( -0.2308417 0.2308417 0.2308417), wk = 0.0029851 k( 39) = ( -0.2370806 0.2370806 0.2370806), wk = 0.0029851 k( 40) = ( -0.2433196 0.2433196 0.2433196), wk = 0.0029851 k( 41) = ( -0.2495585 0.2495585 0.2495585), wk = 0.0029851 k( 42) = ( -0.2557975 0.2557975 0.2557975), wk = 0.0029851 k( 43) = ( -0.2620365 0.2620365 0.2620365), wk = 0.0029851 k( 44) = ( -0.2682754 0.2682754 0.2682754), wk = 0.0029851 k( 45) = ( -0.2745144 0.2745144 0.2745144), wk = 0.0029851 k( 46) = ( -0.2807534 0.2807534 0.2807534), wk = 0.0029851 k( 47) = ( -0.2869923 0.2869923 0.2869923), wk = 0.0029851 k( 48) = ( -0.2869923 0.2869923 0.2869923), wk = 0.0029851 k( 49) = ( -0.2757139 0.2757139 0.2982707), wk = 0.0029851 k( 50) = ( -0.2644355 0.2644355 0.3095491), wk = 0.0029851 k( 51) = ( -0.2531571 0.2531571 0.3208275), wk = 0.0029851 k( 52) = ( -0.2418787 0.2418787 0.3321059), wk = 0.0029851 k( 53) = ( -0.2306003 0.2306003 0.3433843), wk = 0.0029851 k( 54) = ( -0.2193219 0.2193219 0.3546627), wk = 0.0029851 k( 55) = ( -0.2080435 0.2080435 0.3659411), wk = 0.0029851 k( 56) = ( -0.1967651 0.1967651 0.3772196), wk = 0.0029851 k( 57) = ( -0.1854867 0.1854867 0.3884980), wk = 0.0029851 k( 58) = ( -0.1854867 0.1854867 0.3884980), wk = 0.0029851 k( 59) = ( -0.1722377 0.1722377 0.3964624), wk = 0.0029851 k( 60) = ( -0.1589886 0.1589886 0.4044268), wk = 0.0029851 k( 61) = ( -0.1457396 0.1457396 0.4123912), wk = 0.0029851 k( 62) = ( -0.1324905 0.1324905 0.4203557), wk = 0.0029851 k( 63) = ( -0.1192415 0.1192415 0.4283201), wk = 0.0029851 k( 64) = ( -0.1059924 0.1059924 0.4362845), wk = 0.0029851 k( 65) = ( -0.0927434 0.0927434 0.4442490), wk = 0.0029851 k( 66) = ( -0.0794943 0.0794943 0.4522134), wk = 0.0029851 k( 67) = ( -0.0662453 0.0662453 0.4601778), wk = 0.0029851 k( 68) = ( -0.0529962 0.0529962 0.4681423), wk = 0.0029851 k( 69) = ( -0.0397472 0.0397472 0.4761067), wk = 0.0029851 k( 70) = ( -0.0264981 0.0264981 0.4840711), wk = 0.0029851 k( 71) = ( -0.0132491 0.0132491 0.4920356), wk = 0.0029851 k( 72) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 73) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 74) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0029851 k( 75) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0029851 k( 76) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0029851 k( 77) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029851 k( 78) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0029851 k( 79) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0029851 k( 80) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0029851 k( 81) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029851 k( 82) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0029851 k( 83) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0029851 k( 84) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0029851 k( 85) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029851 k( 86) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0029851 k( 87) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0029851 k( 88) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0029851 k( 89) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 90) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 91) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0029851 k( 92) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0029851 k( 93) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0029851 k( 94) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0029851 k( 95) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0029851 k( 96) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0029851 k( 97) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0029851 k( 98) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0029851 k( 99) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0029851 k( 100) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029851 k( 101) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0029851 k( 102) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0029851 k( 103) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0029851 k( 104) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0029851 k( 105) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0029851 k( 106) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0029851 k( 107) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0029851 k( 108) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0029851 k( 109) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0029851 k( 110) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 111) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 112) = ( 0.0168819 0.5125299 -0.0168819), wk = 0.0029851 k( 113) = ( 0.0337638 0.5250597 -0.0337638), wk = 0.0029851 k( 114) = ( 0.0506457 0.5375896 -0.0506457), wk = 0.0029851 k( 115) = ( 0.0675276 0.5501194 -0.0675276), wk = 0.0029851 k( 116) = ( 0.0844095 0.5626493 -0.0844095), wk = 0.0029851 k( 117) = ( 0.1012914 0.5751792 -0.1012914), wk = 0.0029851 k( 118) = ( 0.1181733 0.5877090 -0.1181733), wk = 0.0029851 k( 119) = ( 0.1350552 0.6002389 -0.1350552), wk = 0.0029851 k( 120) = ( 0.1519371 0.6127688 -0.1519371), wk = 0.0029851 k( 121) = ( 0.1688190 0.6252986 -0.1688190), wk = 0.0029851 k( 122) = ( 0.1857009 0.6378285 -0.1857009), wk = 0.0029851 k( 123) = ( 0.2025828 0.6503583 -0.2025828), wk = 0.0029851 k( 124) = ( 0.2194647 0.6628882 -0.2194647), wk = 0.0029851 k( 125) = ( 0.2363466 0.6754181 -0.2363466), wk = 0.0029851 k( 126) = ( 0.2532285 0.6879479 -0.2532285), wk = 0.0029851 k( 127) = ( 0.2701104 0.7004778 -0.2701104), wk = 0.0029851 k( 128) = ( 0.2869923 0.7130077 -0.2869923), wk = 0.0029851 k( 129) = ( 0.2869923 0.7130077 -0.2869923), wk = 0.0029851 k( 130) = ( 0.2932573 0.7067427 -0.2932573), wk = 0.0029851 k( 131) = ( 0.2995222 0.7004778 -0.2995222), wk = 0.0029851 k( 132) = ( 0.3057871 0.6942129 -0.3057871), wk = 0.0029851 k( 133) = ( 0.3120521 0.6879479 -0.3120521), wk = 0.0029851 k( 134) = ( 0.3183170 0.6816830 -0.3183170), wk = 0.0029851 k( 135) = ( 0.3245819 0.6754181 -0.3245819), wk = 0.0029851 k( 136) = ( 0.3308469 0.6691531 -0.3308469), wk = 0.0029851 k( 137) = ( 0.3371118 0.6628882 -0.3371118), wk = 0.0029851 k( 138) = ( 0.3433767 0.6566233 -0.3433767), wk = 0.0029851 k( 139) = ( 0.3496417 0.6503583 -0.3496416), wk = 0.0029851 k( 140) = ( 0.3559066 0.6440934 -0.3559066), wk = 0.0029851 k( 141) = ( 0.3621715 0.6378285 -0.3621715), wk = 0.0029851 k( 142) = ( 0.3684364 0.6315636 -0.3684364), wk = 0.0029851 k( 143) = ( 0.3747014 0.6252986 -0.3747014), wk = 0.0029851 k( 144) = ( 0.3809663 0.6190337 -0.3809663), wk = 0.0029851 k( 145) = ( 0.3872312 0.6127688 -0.3872312), wk = 0.0029851 k( 146) = ( 0.3934962 0.6065038 -0.3934962), wk = 0.0029851 k( 147) = ( 0.3997611 0.6002389 -0.3997611), wk = 0.0029851 k( 148) = ( 0.4060260 0.5939740 -0.4060260), wk = 0.0029851 k( 149) = ( 0.4122910 0.5877090 -0.4122910), wk = 0.0029851 k( 150) = ( 0.4185559 0.5814441 -0.4185559), wk = 0.0029851 k( 151) = ( 0.4248208 0.5751792 -0.4248208), wk = 0.0029851 k( 152) = ( 0.4310858 0.5689142 -0.4310858), wk = 0.0029851 k( 153) = ( 0.4373507 0.5626493 -0.4373507), wk = 0.0029851 k( 154) = ( 0.4436156 0.5563844 -0.4436156), wk = 0.0029851 k( 155) = ( 0.4498805 0.5501194 -0.4498805), wk = 0.0029851 k( 156) = ( 0.4561455 0.5438545 -0.4561455), wk = 0.0029851 k( 157) = ( 0.4624104 0.5375896 -0.4624104), wk = 0.0029851 k( 158) = ( 0.4686753 0.5313247 -0.4686753), wk = 0.0029851 k( 159) = ( 0.4749403 0.5250597 -0.4749403), wk = 0.0029851 k( 160) = ( 0.4812052 0.5187948 -0.4812052), wk = 0.0029851 k( 161) = ( 0.4874701 0.5125299 -0.4874701), wk = 0.0029851 k( 162) = ( 0.4937351 0.5062649 -0.4937351), wk = 0.0029851 k( 163) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 164) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 165) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0029851 k( 166) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0029851 k( 167) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0029851 k( 168) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0029851 k( 169) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0029851 k( 170) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0029851 k( 171) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0029851 k( 172) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0029851 k( 173) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0029851 k( 174) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0029851 k( 175) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0029851 k( 176) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0029851 k( 177) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0029851 k( 178) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0029851 k( 179) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0029851 k( 180) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0029851 k( 181) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0029851 k( 182) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0029851 k( 183) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0029851 k( 184) = ( 0.1774194 0.1774194 -0.1774193), wk = 0.0029851 k( 185) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0029851 k( 186) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0029851 k( 187) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0029851 k( 188) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0029851 k( 189) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0029851 k( 190) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0029851 k( 191) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0029851 k( 192) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0029851 k( 193) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0029851 k( 194) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0029851 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 197) = ( 0.0124530 -0.0124530 0.0124530), wk = 0.0029851 k( 198) = ( 0.0249059 -0.0249059 0.0249059), wk = 0.0029851 k( 199) = ( 0.0373588 -0.0373588 0.0373588), wk = 0.0029851 k( 200) = ( 0.0498118 -0.0498118 0.0498118), wk = 0.0029851 k( 201) = ( 0.0622648 -0.0622647 0.0622647), wk = 0.0029851 k( 202) = ( 0.0747177 -0.0747177 0.0747177), wk = 0.0029851 k( 203) = ( 0.0871707 -0.0871706 0.0871706), wk = 0.0029851 k( 204) = ( 0.0996236 -0.0996236 0.0996236), wk = 0.0029851 k( 205) = ( 0.1120765 -0.1120765 0.1120765), wk = 0.0029851 k( 206) = ( 0.1245295 -0.1245295 0.1245295), wk = 0.0029851 k( 207) = ( 0.1369825 -0.1369825 0.1369825), wk = 0.0029851 k( 208) = ( 0.1494354 -0.1494354 0.1494354), wk = 0.0029851 k( 209) = ( 0.1618883 -0.1618883 0.1618884), wk = 0.0029851 k( 210) = ( 0.1743413 -0.1743413 0.1743413), wk = 0.0029851 k( 211) = ( 0.1867942 -0.1867942 0.1867942), wk = 0.0029851 k( 212) = ( 0.1992472 -0.1992472 0.1992472), wk = 0.0029851 k( 213) = ( 0.2117001 -0.2117001 0.2117001), wk = 0.0029851 k( 214) = ( 0.2241531 -0.2241531 0.2241531), wk = 0.0029851 k( 215) = ( 0.2366060 -0.2366060 0.2366060), wk = 0.0029851 k( 216) = ( 0.2490590 -0.2490590 0.2490590), wk = 0.0029851 k( 217) = ( 0.2615119 -0.2615119 0.2615119), wk = 0.0029851 k( 218) = ( 0.2739649 -0.2739649 0.2739649), wk = 0.0029851 k( 219) = ( 0.2864178 -0.2864178 0.2864178), wk = 0.0029851 k( 220) = ( 0.2988708 -0.2988708 0.2988708), wk = 0.0029851 k( 221) = ( 0.3113237 -0.3113237 0.3113237), wk = 0.0029851 k( 222) = ( 0.3237767 -0.3237767 0.3237767), wk = 0.0029851 k( 223) = ( 0.3362296 -0.3362296 0.3362296), wk = 0.0029851 k( 224) = ( 0.3486826 -0.3486826 0.3486826), wk = 0.0029851 k( 225) = ( 0.3611355 -0.3611355 0.3611355), wk = 0.0029851 k( 226) = ( 0.3735885 -0.3735885 0.3735885), wk = 0.0029851 k( 227) = ( 0.3860414 -0.3860414 0.3860414), wk = 0.0029851 k( 228) = ( 0.3984944 -0.3984944 0.3984944), wk = 0.0029851 k( 229) = ( 0.3984944 -0.3984944 0.3984944), wk = 0.0029851 k( 230) = ( 0.4035697 -0.3785697 0.3785697), wk = 0.0029851 k( 231) = ( 0.4086450 -0.3586450 0.3586450), wk = 0.0029851 k( 232) = ( 0.4137202 -0.3387202 0.3387202), wk = 0.0029851 k( 233) = ( 0.4187955 -0.3187955 0.3187955), wk = 0.0029851 k( 234) = ( 0.4238708 -0.2988708 0.2988708), wk = 0.0029851 k( 235) = ( 0.4289461 -0.2789461 0.2789461), wk = 0.0029851 k( 236) = ( 0.4340213 -0.2590213 0.2590213), wk = 0.0029851 k( 237) = ( 0.4390966 -0.2390966 0.2390966), wk = 0.0029851 k( 238) = ( 0.4441719 -0.2191719 0.2191719), wk = 0.0029851 k( 239) = ( 0.4492472 -0.1992472 0.1992472), wk = 0.0029851 k( 240) = ( 0.4543225 -0.1793225 0.1793225), wk = 0.0029851 k( 241) = ( 0.4593978 -0.1593978 0.1593978), wk = 0.0029851 k( 242) = ( 0.4644730 -0.1394730 0.1394730), wk = 0.0029851 k( 243) = ( 0.4695483 -0.1195483 0.1195483), wk = 0.0029851 k( 244) = ( 0.4746236 -0.0996236 0.0996236), wk = 0.0029851 k( 245) = ( 0.4796989 -0.0796989 0.0796989), wk = 0.0029851 k( 246) = ( 0.4847742 -0.0597742 0.0597742), wk = 0.0029851 k( 247) = ( 0.4898494 -0.0398494 0.0398494), wk = 0.0029851 k( 248) = ( 0.4949247 -0.0199247 0.0199247), wk = 0.0029851 k( 249) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029851 k( 250) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029851 k( 251) = ( 0.4937500 0.0062500 0.0062500), wk = 0.0029851 k( 252) = ( 0.4875000 0.0125000 0.0125000), wk = 0.0029851 k( 253) = ( 0.4812500 0.0187500 0.0187500), wk = 0.0029851 k( 254) = ( 0.4750000 0.0250000 0.0250000), wk = 0.0029851 k( 255) = ( 0.4687500 0.0312500 0.0312500), wk = 0.0029851 k( 256) = ( 0.4625000 0.0375000 0.0375000), wk = 0.0029851 k( 257) = ( 0.4562500 0.0437500 0.0437500), wk = 0.0029851 k( 258) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0029851 k( 259) = ( 0.4437500 0.0562500 0.0562500), wk = 0.0029851 k( 260) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0029851 k( 261) = ( 0.4312500 0.0687500 0.0687500), wk = 0.0029851 k( 262) = ( 0.4250000 0.0750000 0.0750000), wk = 0.0029851 k( 263) = ( 0.4187500 0.0812500 0.0812500), wk = 0.0029851 k( 264) = ( 0.4125000 0.0875000 0.0875000), wk = 0.0029851 k( 265) = ( 0.4062500 0.0937500 0.0937500), wk = 0.0029851 k( 266) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0029851 k( 267) = ( 0.3937500 0.1062500 0.1062500), wk = 0.0029851 k( 268) = ( 0.3875000 0.1125000 0.1125000), wk = 0.0029851 k( 269) = ( 0.3812500 0.1187500 0.1187500), wk = 0.0029851 k( 270) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0029851 k( 271) = ( 0.3687500 0.1312500 0.1312500), wk = 0.0029851 k( 272) = ( 0.3625000 0.1375000 0.1375000), wk = 0.0029851 k( 273) = ( 0.3562500 0.1437500 0.1437500), wk = 0.0029851 k( 274) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0029851 k( 275) = ( 0.3437500 0.1562500 0.1562500), wk = 0.0029851 k( 276) = ( 0.3375000 0.1625000 0.1625000), wk = 0.0029851 k( 277) = ( 0.3312500 0.1687500 0.1687500), wk = 0.0029851 k( 278) = ( 0.3250000 0.1750000 0.1750000), wk = 0.0029851 k( 279) = ( 0.3187500 0.1812500 0.1812500), wk = 0.0029851 k( 280) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0029851 k( 281) = ( 0.3062500 0.1937500 0.1937500), wk = 0.0029851 k( 282) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0029851 k( 283) = ( 0.2937500 0.2062500 0.2062500), wk = 0.0029851 k( 284) = ( 0.2875000 0.2125000 0.2125000), wk = 0.0029851 k( 285) = ( 0.2812500 0.2187500 0.2187500), wk = 0.0029851 k( 286) = ( 0.2750000 0.2250000 0.2250000), wk = 0.0029851 k( 287) = ( 0.2687500 0.2312500 0.2312500), wk = 0.0029851 k( 288) = ( 0.2625000 0.2375000 0.2375000), wk = 0.0029851 k( 289) = ( 0.2562500 0.2437500 0.2437500), wk = 0.0029851 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 291) = ( 0.1854867 -0.1854867 0.6115020), wk = 0.0029851 k( 292) = ( 0.1917517 -0.1917517 0.6052371), wk = 0.0029851 k( 293) = ( 0.1980166 -0.1980166 0.5989722), wk = 0.0029851 k( 294) = ( 0.2042815 -0.2042815 0.5927073), wk = 0.0029851 k( 295) = ( 0.2105464 -0.2105464 0.5864423), wk = 0.0029851 k( 296) = ( 0.2168114 -0.2168114 0.5801774), wk = 0.0029851 k( 297) = ( 0.2230763 -0.2230763 0.5739125), wk = 0.0029851 k( 298) = ( 0.2293412 -0.2293412 0.5676475), wk = 0.0029851 k( 299) = ( 0.2356062 -0.2356062 0.5613826), wk = 0.0029851 k( 300) = ( 0.2418711 -0.2418711 0.5551177), wk = 0.0029851 k( 301) = ( 0.2481360 -0.2481360 0.5488527), wk = 0.0029851 k( 302) = ( 0.2544010 -0.2544010 0.5425878), wk = 0.0029851 k( 303) = ( 0.2606659 -0.2606659 0.5363229), wk = 0.0029851 k( 304) = ( 0.2669308 -0.2669308 0.5300579), wk = 0.0029851 k( 305) = ( 0.2731958 -0.2731958 0.5237930), wk = 0.0029851 k( 306) = ( 0.2794607 -0.2794607 0.5175281), wk = 0.0029851 k( 307) = ( 0.2857256 -0.2857256 0.5112631), wk = 0.0029851 k( 308) = ( 0.2919906 -0.2919906 0.5049982), wk = 0.0029851 k( 309) = ( 0.2982555 -0.2982555 0.4987333), wk = 0.0029851 k( 310) = ( 0.3045204 -0.3045204 0.4924684), wk = 0.0029851 k( 311) = ( 0.3107854 -0.3107853 0.4862034), wk = 0.0029851 k( 312) = ( 0.3170503 -0.3170503 0.4799385), wk = 0.0029851 k( 313) = ( 0.3233152 -0.3233152 0.4736736), wk = 0.0029851 k( 314) = ( 0.3295802 -0.3295802 0.4674086), wk = 0.0029851 k( 315) = ( 0.3358451 -0.3358451 0.4611437), wk = 0.0029851 k( 316) = ( 0.3421100 -0.3421100 0.4548788), wk = 0.0029851 k( 317) = ( 0.3483749 -0.3483749 0.4486138), wk = 0.0029851 k( 318) = ( 0.3546399 -0.3546399 0.4423489), wk = 0.0029851 k( 319) = ( 0.3609048 -0.3609048 0.4360840), wk = 0.0029851 k( 320) = ( 0.3671697 -0.3671697 0.4298190), wk = 0.0029851 k( 321) = ( 0.3734347 -0.3734347 0.4235541), wk = 0.0029851 k( 322) = ( 0.3796996 -0.3796996 0.4172892), wk = 0.0029851 k( 323) = ( 0.3859645 -0.3859645 0.4110242), wk = 0.0029851 k( 324) = ( 0.3922295 -0.3922295 0.4047593), wk = 0.0029851 k( 325) = ( 0.3984944 -0.3984944 0.3984944), wk = 0.0029851 k( 326) = ( 0.6015056 0.3984944 -0.3984944), wk = 0.0029851 k( 327) = ( 0.5902272 0.4097728 -0.4097728), wk = 0.0029851 k( 328) = ( 0.5789488 0.4210512 -0.4210512), wk = 0.0029851 k( 329) = ( 0.5676704 0.4323296 -0.4323296), wk = 0.0029851 k( 330) = ( 0.5563920 0.4436080 -0.4436080), wk = 0.0029851 k( 331) = ( 0.5451136 0.4548864 -0.4548864), wk = 0.0029851 k( 332) = ( 0.5338352 0.4661648 -0.4661648), wk = 0.0029851 k( 333) = ( 0.5225568 0.4774432 -0.4774432), wk = 0.0029851 k( 334) = ( 0.5112784 0.4887216 -0.4887216), wk = 0.0029851 k( 335) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 Dense grid: 164637 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 38339 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 274, 48) NL pseudopotentials 0.36 Mb ( 137, 170) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.03 Mb ( 4574) G-vector shells 0.03 Mb ( 4210) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 274, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.25 Mb ( 170, 2, 48) The potential is recalculated from file : ./K2Te2Pt.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.4 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 8.7 secs Computing kpt #: 6 total cpu time spent up to now is 9.3 secs Computing kpt #: 7 total cpu time spent up to now is 9.9 secs Computing kpt #: 8 total cpu time spent up to now is 10.7 secs Computing kpt #: 9 total cpu time spent up to now is 11.4 secs Computing kpt #: 10 total cpu time spent up to now is 12.1 secs Computing kpt #: 11 total cpu time spent up to now is 12.9 secs Computing kpt #: 12 total cpu time spent up to now is 13.7 secs Computing kpt #: 13 total cpu time spent up to now is 14.5 secs Computing kpt #: 14 total cpu time spent up to now is 15.4 secs Computing kpt #: 15 total cpu time spent up to now is 16.2 secs Computing kpt #: 16 total cpu time spent up to now is 17.1 secs Computing kpt #: 17 total cpu time spent up to now is 18.0 secs Computing kpt #: 18 total cpu time spent up to now is 18.8 secs Computing kpt #: 19 total cpu time spent up to now is 19.7 secs Computing kpt #: 20 total cpu time spent up to now is 20.5 secs Computing kpt #: 21 total cpu time spent up to now is 21.3 secs Computing kpt #: 22 total cpu time spent up to now is 22.1 secs Computing kpt #: 23 total cpu time spent up to now is 22.9 secs Computing kpt #: 24 total cpu time spent up to now is 23.7 secs Computing kpt #: 25 total cpu time spent up to now is 24.5 secs Computing kpt #: 26 total cpu time spent up to now is 25.3 secs Computing kpt #: 27 total cpu time spent up to now is 26.1 secs Computing kpt #: 28 total cpu time spent up to now is 26.9 secs Computing kpt #: 29 total cpu time spent up to now is 27.7 secs Computing kpt #: 30 total cpu time spent up to now is 28.5 secs Computing kpt #: 31 total cpu time spent up to now is 29.4 secs Computing kpt #: 32 total cpu time spent up to now is 30.2 secs Computing kpt #: 33 total cpu time spent up to now is 31.0 secs Computing kpt #: 34 total cpu time spent up to now is 31.8 secs Computing kpt #: 35 total cpu time spent up to now is 32.7 secs Computing kpt #: 36 total cpu time spent up to now is 33.5 secs Computing kpt #: 37 total cpu time spent up to now is 34.3 secs Computing kpt #: 38 total cpu time spent up to now is 35.1 secs Computing kpt #: 39 total cpu time spent up to now is 36.0 secs Computing kpt #: 40 total cpu time spent up to now is 37.0 secs Computing kpt #: 41 total cpu time spent up to now is 38.2 secs Computing kpt #: 42 total cpu time spent up to now is 39.3 secs Computing kpt #: 43 total cpu time spent up to now is 40.4 secs Computing kpt #: 44 total cpu time spent up to now is 41.5 secs Computing kpt #: 45 total cpu time spent up to now is 42.6 secs Computing kpt #: 46 total cpu time spent up to now is 43.6 secs Computing kpt #: 47 total cpu time spent up to now is 44.6 secs Computing kpt #: 48 total cpu time spent up to now is 45.6 secs Computing kpt #: 49 total cpu time spent up to now is 46.6 secs Computing kpt #: 50 total cpu time spent up to now is 47.6 secs Computing kpt #: 51 total cpu time spent up to now is 48.4 secs Computing kpt #: 52 total cpu time spent up to now is 49.3 secs Computing kpt #: 53 total cpu time spent up to now is 50.2 secs Computing kpt #: 54 total cpu time spent up to now is 51.2 secs Computing kpt #: 55 total cpu time spent up to now is 52.1 secs Computing kpt #: 56 total cpu time spent up to now is 53.1 secs Computing kpt #: 57 total cpu time spent up to now is 54.0 secs Computing kpt #: 58 total cpu time spent up to now is 54.9 secs Computing kpt #: 59 total cpu time spent up to now is 55.8 secs Computing kpt #: 60 total cpu time spent up to now is 56.8 secs Computing kpt #: 61 total cpu time spent up to now is 57.8 secs Computing kpt #: 62 total cpu time spent up to now is 58.8 secs Computing kpt #: 63 total cpu time spent up to now is 59.8 secs Computing kpt #: 64 total cpu time spent up to now is 60.8 secs Computing kpt #: 65 total cpu time spent up to now is 61.9 secs Computing kpt #: 66 total cpu time spent up to now is 63.0 secs Computing kpt #: 67 total cpu time spent up to now is 64.5 secs Computing kpt #: 68 total cpu time spent up to now is 66.0 secs Computing kpt #: 69 total cpu time spent up to now is 67.1 secs Computing kpt #: 70 total cpu time spent up to now is 68.2 secs Computing kpt #: 71 total cpu time spent up to now is 69.1 secs Computing kpt #: 72 total cpu time spent up to now is 70.1 secs Computing kpt #: 73 total cpu time spent up to now is 71.1 secs Computing kpt #: 74 total cpu time spent up to now is 72.1 secs Computing kpt #: 75 total cpu time spent up to now is 73.1 secs Computing kpt #: 76 total cpu time spent up to now is 74.0 secs Computing kpt #: 77 total cpu time spent up to now is 75.0 secs Computing kpt #: 78 total cpu time spent up to now is 75.9 secs Computing kpt #: 79 total cpu time spent up to now is 76.7 secs Computing kpt #: 80 total cpu time spent up to now is 77.6 secs Computing kpt #: 81 total cpu time spent up to now is 78.5 secs Computing kpt #: 82 total cpu time spent up to now is 79.3 secs Computing kpt #: 83 total cpu time spent up to now is 80.2 secs Computing kpt #: 84 total cpu time spent up to now is 81.0 secs Computing kpt #: 85 total cpu time spent up to now is 81.8 secs Computing kpt #: 86 total cpu time spent up to now is 82.7 secs Computing kpt #: 87 total cpu time spent up to now is 83.5 secs Computing kpt #: 88 total cpu time spent up to now is 84.4 secs Computing kpt #: 89 total cpu time spent up to now is 85.2 secs Computing kpt #: 90 total cpu time spent up to now is 86.1 secs Computing kpt #: 91 total cpu time spent up to now is 86.9 secs Computing kpt #: 92 total cpu time spent up to now is 87.8 secs Computing kpt #: 93 total cpu time spent up to now is 88.6 secs Computing kpt #: 94 total cpu time spent up to now is 89.4 secs Computing kpt #: 95 total cpu time spent up to now is 90.3 secs Computing kpt #: 96 total cpu time spent up to now is 91.1 secs Computing kpt #: 97 total cpu time spent up to now is 91.9 secs Computing kpt #: 98 total cpu time spent up to now is 92.7 secs Computing kpt #: 99 total cpu time spent up to now is 93.6 secs Computing kpt #: 100 total cpu time spent up to now is 94.4 secs Computing kpt #: 101 total cpu time spent up to now is 95.2 secs Computing kpt #: 102 total cpu time spent up to now is 96.1 secs Computing kpt #: 103 total cpu time spent up to now is 97.2 secs Computing kpt #: 104 total cpu time spent up to now is 98.1 secs Computing kpt #: 105 total cpu time spent up to now is 98.9 secs Computing kpt #: 106 total cpu time spent up to now is 99.7 secs Computing kpt #: 107 total cpu time spent up to now is 100.5 secs Computing kpt #: 108 total cpu time spent up to now is 101.3 secs Computing kpt #: 109 total cpu time spent up to now is 102.1 secs Computing kpt #: 110 total cpu time spent up to now is 102.9 secs Computing kpt #: 111 total cpu time spent up to now is 103.8 secs Computing kpt #: 112 total cpu time spent up to now is 104.6 secs Computing kpt #: 113 total cpu time spent up to now is 105.5 secs Computing kpt #: 114 total cpu time spent up to now is 106.3 secs Computing kpt #: 115 total cpu time spent up to now is 107.2 secs Computing kpt #: 116 total cpu time spent up to now is 108.0 secs Computing kpt #: 117 total cpu time spent up to now is 108.9 secs Computing kpt #: 118 total cpu time spent up to now is 109.8 secs Computing kpt #: 119 total cpu time spent up to now is 110.7 secs Computing kpt #: 120 total cpu time spent up to now is 111.6 secs Computing kpt #: 121 total cpu time spent up to now is 112.5 secs Computing kpt #: 122 total cpu time spent up to now is 113.4 secs Computing kpt #: 123 total cpu time spent up to now is 114.3 secs Computing kpt #: 124 total cpu time spent up to now is 115.3 secs Computing kpt #: 125 total cpu time spent up to now is 116.3 secs Computing kpt #: 126 total cpu time spent up to now is 117.3 secs Computing kpt #: 127 total cpu time spent up to now is 118.3 secs Computing kpt #: 128 total cpu time spent up to now is 119.3 secs Computing kpt #: 129 total cpu time spent up to now is 120.3 secs Computing kpt #: 130 total cpu time spent up to now is 121.3 secs Computing kpt #: 131 total cpu time spent up to now is 122.3 secs Computing kpt #: 132 total cpu time spent up to now is 123.2 secs Computing kpt #: 133 total cpu time spent up to now is 124.0 secs Computing kpt #: 134 total cpu time spent up to now is 124.9 secs Computing kpt #: 135 total cpu time spent up to now is 125.7 secs Computing kpt #: 136 total cpu time spent up to now is 126.6 secs Computing kpt #: 137 total cpu time spent up to now is 127.5 secs Computing kpt #: 138 total cpu time spent up to now is 128.3 secs Computing kpt #: 139 total cpu time spent up to now is 129.2 secs Computing kpt #: 140 total cpu time spent up to now is 130.1 secs Computing kpt #: 141 total cpu time spent up to now is 130.9 secs Computing kpt #: 142 total cpu time spent up to now is 131.8 secs Computing kpt #: 143 total cpu time spent up to now is 132.7 secs Computing kpt #: 144 total cpu time spent up to now is 133.6 secs Computing kpt #: 145 total cpu time spent up to now is 134.5 secs Computing kpt #: 146 total cpu time spent up to now is 135.4 secs Computing kpt #: 147 total cpu time spent up to now is 136.4 secs Computing kpt #: 148 total cpu time spent up to now is 137.4 secs Computing kpt #: 149 total cpu time spent up to now is 138.4 secs Computing kpt #: 150 total cpu time spent up to now is 139.4 secs Computing kpt #: 151 total cpu time spent up to now is 140.3 secs Computing kpt #: 152 total cpu time spent up to now is 141.2 secs Computing kpt #: 153 total cpu time spent up to now is 142.1 secs Computing kpt #: 154 total cpu time spent up to now is 143.1 secs Computing kpt #: 155 total cpu time spent up to now is 145.5 secs Computing kpt #: 156 total cpu time spent up to now is 146.4 secs Computing kpt #: 157 total cpu time spent up to now is 147.3 secs Computing kpt #: 158 total cpu time spent up to now is 148.1 secs Computing kpt #: 159 total cpu time spent up to now is 149.0 secs Computing kpt #: 160 total cpu time spent up to now is 149.8 secs Computing kpt #: 161 total cpu time spent up to now is 150.6 secs Computing kpt #: 162 total cpu time spent up to now is 151.5 secs Computing kpt #: 163 total cpu time spent up to now is 152.3 secs Computing kpt #: 164 total cpu time spent up to now is 153.1 secs Computing kpt #: 165 total cpu time spent up to now is 154.0 secs Computing kpt #: 166 total cpu time spent up to now is 154.8 secs Computing kpt #: 167 total cpu time spent up to now is 155.7 secs Computing kpt #: 168 total cpu time spent up to now is 156.6 secs Computing kpt #: 169 total cpu time spent up to now is 157.5 secs Computing kpt #: 170 total cpu time spent up to now is 158.5 secs Computing kpt #: 171 total cpu time spent up to now is 159.5 secs Computing kpt #: 172 total cpu time spent up to now is 160.4 secs Computing kpt #: 173 total cpu time spent up to now is 161.2 secs Computing kpt #: 174 total cpu time spent up to now is 161.9 secs Computing kpt #: 175 total cpu time spent up to now is 162.7 secs Computing kpt #: 176 total cpu time spent up to now is 163.4 secs Computing kpt #: 177 total cpu time spent up to now is 164.1 secs Computing kpt #: 178 total cpu time spent up to now is 164.7 secs Computing kpt #: 179 total cpu time spent up to now is 165.3 secs Computing kpt #: 180 total cpu time spent up to now is 166.0 secs Computing kpt #: 181 total cpu time spent up to now is 166.6 secs Computing kpt #: 182 total cpu time spent up to now is 167.2 secs Computing kpt #: 183 total cpu time spent up to now is 167.9 secs Computing kpt #: 184 total cpu time spent up to now is 168.5 secs Computing kpt #: 185 total cpu time spent up to now is 169.1 secs Computing kpt #: 186 total cpu time spent up to now is 169.7 secs Computing kpt #: 187 total cpu time spent up to now is 170.4 secs Computing kpt #: 188 total cpu time spent up to now is 171.0 secs Computing kpt #: 189 total cpu time spent up to now is 171.6 secs Computing kpt #: 190 total cpu time spent up to now is 172.2 secs Computing kpt #: 191 total cpu time spent up to now is 172.9 secs Computing kpt #: 192 total cpu time spent up to now is 173.5 secs Computing kpt #: 193 total cpu time spent up to now is 174.1 secs Computing kpt #: 194 total cpu time spent up to now is 174.7 secs Computing kpt #: 195 total cpu time spent up to now is 175.3 secs Computing kpt #: 196 total cpu time spent up to now is 175.9 secs Computing kpt #: 197 total cpu time spent up to now is 176.5 secs Computing kpt #: 198 total cpu time spent up to now is 177.1 secs Computing kpt #: 199 total cpu time spent up to now is 177.8 secs Computing kpt #: 200 total cpu time spent up to now is 178.4 secs Computing kpt #: 201 total cpu time spent up to now is 179.0 secs Computing kpt #: 202 total cpu time spent up to now is 179.6 secs Computing kpt #: 203 total cpu time spent up to now is 180.2 secs Computing kpt #: 204 total cpu time spent up to now is 180.8 secs Computing kpt #: 205 total cpu time spent up to now is 181.5 secs Computing kpt #: 206 total cpu time spent up to now is 182.1 secs Computing kpt #: 207 total cpu time spent up to now is 182.8 secs Computing kpt #: 208 total cpu time spent up to now is 183.6 secs Computing kpt #: 209 total cpu time spent up to now is 184.4 secs Computing kpt #: 210 total cpu time spent up to now is 185.2 secs Computing kpt #: 211 total cpu time spent up to now is 186.1 secs Computing kpt #: 212 total cpu time spent up to now is 186.9 secs Computing kpt #: 213 total cpu time spent up to now is 187.8 secs Computing kpt #: 214 total cpu time spent up to now is 188.6 secs Computing kpt #: 215 total cpu time spent up to now is 189.5 secs Computing kpt #: 216 total cpu time spent up to now is 190.4 secs Computing kpt #: 217 total cpu time spent up to now is 191.2 secs Computing kpt #: 218 total cpu time spent up to now is 192.1 secs Computing kpt #: 219 total cpu time spent up to now is 192.9 secs Computing kpt #: 220 total cpu time spent up to now is 193.8 secs Computing kpt #: 221 total cpu time spent up to now is 194.6 secs Computing kpt #: 222 total cpu time spent up to now is 195.5 secs Computing kpt #: 223 total cpu time spent up to now is 196.4 secs Computing kpt #: 224 total cpu time spent up to now is 197.3 secs Computing kpt #: 225 total cpu time spent up to now is 198.2 secs Computing kpt #: 226 total cpu time spent up to now is 199.1 secs Computing kpt #: 227 total cpu time spent up to now is 200.0 secs Computing kpt #: 228 total cpu time spent up to now is 200.8 secs Computing kpt #: 229 total cpu time spent up to now is 201.7 secs Computing kpt #: 230 total cpu time spent up to now is 202.6 secs Computing kpt #: 231 total cpu time spent up to now is 203.5 secs Computing kpt #: 232 total cpu time spent up to now is 204.4 secs Computing kpt #: 233 total cpu time spent up to now is 205.3 secs Computing kpt #: 234 total cpu time spent up to now is 206.2 secs Computing kpt #: 235 total cpu time spent up to now is 207.2 secs Computing kpt #: 236 total cpu time spent up to now is 208.1 secs Computing kpt #: 237 total cpu time spent up to now is 209.1 secs Computing kpt #: 238 total cpu time spent up to now is 210.0 secs Computing kpt #: 239 total cpu time spent up to now is 211.0 secs Computing kpt #: 240 total cpu time spent up to now is 211.9 secs Computing kpt #: 241 total cpu time spent up to now is 212.9 secs Computing kpt #: 242 total cpu time spent up to now is 213.8 secs Computing kpt #: 243 total cpu time spent up to now is 214.7 secs Computing kpt #: 244 total cpu time spent up to now is 215.6 secs Computing kpt #: 245 total cpu time spent up to now is 216.4 secs Computing kpt #: 246 total cpu time spent up to now is 217.3 secs Computing kpt #: 247 total cpu time spent up to now is 218.2 secs Computing kpt #: 248 total cpu time spent up to now is 219.1 secs Computing kpt #: 249 total cpu time spent up to now is 219.9 secs Computing kpt #: 250 total cpu time spent up to now is 220.8 secs Computing kpt #: 251 total cpu time spent up to now is 221.6 secs Computing kpt #: 252 total cpu time spent up to now is 222.5 secs Computing kpt #: 253 total cpu time spent up to now is 223.4 secs Computing kpt #: 254 total cpu time spent up to now is 224.2 secs Computing kpt #: 255 total cpu time spent up to now is 225.1 secs Computing kpt #: 256 total cpu time spent up to now is 226.0 secs Computing kpt #: 257 total cpu time spent up to now is 226.9 secs Computing kpt #: 258 total cpu time spent up to now is 227.7 secs Computing kpt #: 259 total cpu time spent up to now is 228.6 secs Computing kpt #: 260 total cpu time spent up to now is 229.4 secs Computing kpt #: 261 total cpu time spent up to now is 230.3 secs Computing kpt #: 262 total cpu time spent up to now is 231.2 secs Computing kpt #: 263 total cpu time spent up to now is 232.0 secs Computing kpt #: 264 total cpu time spent up to now is 232.9 secs Computing kpt #: 265 total cpu time spent up to now is 233.8 secs Computing kpt #: 266 total cpu time spent up to now is 234.7 secs Computing kpt #: 267 total cpu time spent up to now is 235.6 secs Computing kpt #: 268 total cpu time spent up to now is 236.6 secs Computing kpt #: 269 total cpu time spent up to now is 237.6 secs Computing kpt #: 270 total cpu time spent up to now is 238.7 secs Computing kpt #: 271 total cpu time spent up to now is 239.9 secs Computing kpt #: 272 total cpu time spent up to now is 240.9 secs Computing kpt #: 273 total cpu time spent up to now is 241.9 secs Computing kpt #: 274 total cpu time spent up to now is 242.7 secs Computing kpt #: 275 total cpu time spent up to now is 243.5 secs Computing kpt #: 276 total cpu time spent up to now is 244.3 secs Computing kpt #: 277 total cpu time spent up to now is 245.0 secs Computing kpt #: 278 total cpu time spent up to now is 245.8 secs Computing kpt #: 279 total cpu time spent up to now is 246.5 secs Computing kpt #: 280 total cpu time spent up to now is 247.3 secs Computing kpt #: 281 total cpu time spent up to now is 248.0 secs Computing kpt #: 282 total cpu time spent up to now is 248.8 secs Computing kpt #: 283 total cpu time spent up to now is 249.5 secs Computing kpt #: 284 total cpu time spent up to now is 250.2 secs Computing kpt #: 285 total cpu time spent up to now is 251.0 secs Computing kpt #: 286 total cpu time spent up to now is 251.8 secs Computing kpt #: 287 total cpu time spent up to now is 252.6 secs Computing kpt #: 288 total cpu time spent up to now is 253.5 secs Computing kpt #: 289 total cpu time spent up to now is 254.3 secs Computing kpt #: 290 total cpu time spent up to now is 255.2 secs Computing kpt #: 291 total cpu time spent up to now is 256.1 secs Computing kpt #: 292 total cpu time spent up to now is 257.0 secs Computing kpt #: 293 total cpu time spent up to now is 257.8 secs Computing kpt #: 294 total cpu time spent up to now is 258.7 secs Computing kpt #: 295 total cpu time spent up to now is 259.5 secs Computing kpt #: 296 total cpu time spent up to now is 260.3 secs Computing kpt #: 297 total cpu time spent up to now is 261.1 secs Computing kpt #: 298 total cpu time spent up to now is 261.9 secs Computing kpt #: 299 total cpu time spent up to now is 262.7 secs Computing kpt #: 300 total cpu time spent up to now is 263.4 secs Computing kpt #: 301 total cpu time spent up to now is 264.2 secs Computing kpt #: 302 total cpu time spent up to now is 265.0 secs Computing kpt #: 303 total cpu time spent up to now is 265.8 secs Computing kpt #: 304 total cpu time spent up to now is 266.6 secs Computing kpt #: 305 total cpu time spent up to now is 267.4 secs Computing kpt #: 306 total cpu time spent up to now is 268.2 secs Computing kpt #: 307 total cpu time spent up to now is 269.0 secs Computing kpt #: 308 total cpu time spent up to now is 269.8 secs Computing kpt #: 309 total cpu time spent up to now is 270.7 secs Computing kpt #: 310 total cpu time spent up to now is 271.8 secs Computing kpt #: 311 total cpu time spent up to now is 272.9 secs Computing kpt #: 312 total cpu time spent up to now is 274.0 secs Computing kpt #: 313 total cpu time spent up to now is 275.1 secs Computing kpt #: 314 total cpu time spent up to now is 276.2 secs Computing kpt #: 315 total cpu time spent up to now is 277.1 secs Computing kpt #: 316 total cpu time spent up to now is 278.1 secs Computing kpt #: 317 total cpu time spent up to now is 279.0 secs Computing kpt #: 318 total cpu time spent up to now is 279.8 secs Computing kpt #: 319 total cpu time spent up to now is 280.7 secs Computing kpt #: 320 total cpu time spent up to now is 281.7 secs Computing kpt #: 321 total cpu time spent up to now is 282.5 secs Computing kpt #: 322 total cpu time spent up to now is 283.4 secs Computing kpt #: 323 total cpu time spent up to now is 284.2 secs Computing kpt #: 324 total cpu time spent up to now is 285.1 secs Computing kpt #: 325 total cpu time spent up to now is 286.0 secs Computing kpt #: 326 total cpu time spent up to now is 286.8 secs Computing kpt #: 327 total cpu time spent up to now is 287.7 secs Computing kpt #: 328 total cpu time spent up to now is 288.5 secs Computing kpt #: 329 total cpu time spent up to now is 289.4 secs Computing kpt #: 330 total cpu time spent up to now is 290.2 secs Computing kpt #: 331 total cpu time spent up to now is 291.0 secs Computing kpt #: 332 total cpu time spent up to now is 291.9 secs Computing kpt #: 333 total cpu time spent up to now is 292.7 secs Computing kpt #: 334 total cpu time spent up to now is 293.5 secs Computing kpt #: 335 total cpu time spent up to now is 294.3 secs ethr = 2.50E-08, avg # of iterations = 33.6 total cpu time spent up to now is 294.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4771 PWs) bands (ev): -24.6423 -24.6423 -24.6338 -24.6338 -8.3460 -8.3460 -8.2913 -8.2913 -8.1150 -8.1150 -8.0419 -8.0419 -8.0228 -8.0228 -8.0008 -8.0008 -5.8800 -5.8800 -4.5968 -4.5968 0.7055 0.7055 1.3005 1.3005 2.4785 2.4785 3.4730 3.4730 3.5486 3.5486 3.6035 3.6035 4.2781 4.2781 4.7886 4.7886 5.6346 5.6346 5.6726 5.6726 7.8310 7.8310 7.9872 7.9872 8.3155 8.3155 9.0691 9.0691 k =-0.0062 0.0072 0.0192 ( 4771 PWs) bands (ev): -24.6423 -24.6423 -24.6338 -24.6338 -8.3460 -8.3460 -8.2914 -8.2914 -8.1149 -8.1149 -8.0419 -8.0419 -8.0230 -8.0230 -8.0011 -8.0011 -5.8788 -5.8788 -4.5967 -4.5967 0.7070 0.7070 1.3007 1.3007 2.4790 2.4790 3.4668 3.4668 3.5254 3.5254 3.6289 3.6289 4.2761 4.2761 4.7889 4.7889 5.6319 5.6319 5.6728 5.6728 7.8325 7.8325 7.9926 7.9926 8.3042 8.3042 9.0725 9.0725 k =-0.0125 0.0145 0.0383 ( 4779 PWs) bands (ev): -24.6422 -24.6422 -24.6338 -24.6338 -8.3460 -8.3460 -8.2916 -8.2916 -8.1148 -8.1148 -8.0419 -8.0419 -8.0237 -8.0237 -8.0019 -8.0019 -5.8749 -5.8749 -4.5967 -4.5967 0.7115 0.7115 1.3014 1.3014 2.4805 2.4805 3.4443 3.4443 3.4945 3.4945 3.6698 3.6698 4.2707 4.2707 4.7897 4.7897 5.6244 5.6244 5.6730 5.6730 7.8370 7.8370 8.0084 8.0084 8.2714 8.2714 9.0828 9.0828 k =-0.0187 0.0217 0.0575 ( 4779 PWs) bands (ev): -24.6421 -24.6421 -24.6337 -24.6337 -8.3461 -8.3461 -8.2919 -8.2919 -8.1144 -8.1144 -8.0418 -8.0418 -8.0248 -8.0248 -8.0031 -8.0031 -5.8686 -5.8686 -4.5967 -4.5967 0.7191 0.7191 1.3027 1.3027 2.4830 2.4830 3.4045 3.4045 3.4712 3.4712 3.7113 3.7113 4.2630 4.2630 4.7908 4.7908 5.6131 5.6131 5.6723 5.6723 7.8448 7.8448 8.0333 8.0333 8.2200 8.2200 9.0999 9.0999 k =-0.0250 0.0290 0.0766 ( 4771 PWs) bands (ev): -24.6419 -24.6419 -24.6335 -24.6335 -8.3461 -8.3461 -8.2923 -8.2923 -8.1140 -8.1140 -8.0417 -8.0417 -8.0263 -8.0263 -8.0049 -8.0049 -5.8598 -5.8598 -4.5966 -4.5966 0.7296 0.7296 1.3045 1.3045 2.4864 2.4864 3.3563 3.3563 3.4480 3.4480 3.7505 3.7505 4.2548 4.2548 4.7920 4.7920 5.5991 5.5991 5.6703 5.6703 7.8558 7.8558 8.0642 8.0642 8.1557 8.1557 9.1236 9.1236 k =-0.0312 0.0362 0.0958 ( 4779 PWs) bands (ev): -24.6418 -24.6418 -24.6334 -24.6334 -8.3461 -8.3461 -8.2929 -8.2929 -8.1134 -8.1134 -8.0415 -8.0415 -8.0283 -8.0283 -8.0071 -8.0071 -5.8484 -5.8484 -4.5966 -4.5966 0.7431 0.7431 1.3069 1.3069 2.4906 2.4906 3.3040 3.3040 3.4207 3.4207 3.7862 3.7862 4.2485 4.2485 4.7930 4.7930 5.5830 5.5830 5.6666 5.6666 7.8701 7.8701 8.0614 8.0614 8.1209 8.1209 9.1536 9.1536 k =-0.0374 0.0435 0.1149 ( 4791 PWs) bands (ev): -24.6415 -24.6415 -24.6332 -24.6332 -8.3462 -8.3462 -8.2937 -8.2937 -8.1128 -8.1128 -8.0415 -8.0415 -8.0306 -8.0306 -8.0098 -8.0098 -5.8346 -5.8346 -4.5965 -4.5965 0.7596 0.7596 1.3099 1.3099 2.4955 2.4955 3.2482 3.2482 3.3882 3.3882 3.8171 3.8171 4.2464 4.2464 4.7936 4.7936 5.5651 5.5651 5.6610 5.6610 7.8874 7.8874 7.9835 7.9835 8.1598 8.1598 9.1897 9.1897 k =-0.0437 0.0507 0.1341 ( 4787 PWs) bands (ev): -24.6413 -24.6413 -24.6330 -24.6330 -8.3462 -8.3462 -8.2945 -8.2945 -8.1120 -8.1120 -8.0414 -8.0414 -8.0332 -8.0332 -8.0128 -8.0128 -5.8185 -5.8185 -4.5964 -4.5964 0.7790 0.7790 1.3138 1.3138 2.5008 2.5008 3.1884 3.1884 3.3512 3.3512 3.8424 3.8424 4.2502 4.2502 4.7938 4.7938 5.5456 5.5456 5.6534 5.6534 7.8926 7.8926 7.9119 7.9119 8.2087 8.2087 9.2312 9.2312 k =-0.0499 0.0579 0.1532 ( 4775 PWs) bands (ev): -24.6409 -24.6409 -24.6327 -24.6327 -8.3464 -8.3464 -8.2956 -8.2956 -8.1110 -8.1110 -8.0417 -8.0417 -8.0358 -8.0358 -8.0161 -8.0161 -5.7999 -5.7999 -4.5963 -4.5963 0.8013 0.8013 1.3185 1.3185 2.5063 2.5063 3.1234 3.1234 3.3109 3.3109 3.8620 3.8620 4.2610 4.2610 4.7938 4.7938 5.5241 5.5241 5.6435 5.6435 7.8082 7.8082 7.9326 7.9326 8.2610 8.2610 9.2776 9.2776 k =-0.0562 0.0652 0.1724 ( 4779 PWs) bands (ev): -24.6406 -24.6406 -24.6325 -24.6325 -8.3465 -8.3465 -8.2968 -8.2968 -8.1100 -8.1100 -8.0429 -8.0429 -8.0379 -8.0379 -8.0198 -8.0198 -5.7791 -5.7791 -4.5962 -4.5962 0.8265 0.8265 1.3242 1.3242 2.5115 2.5115 3.0524 3.0524 3.2691 3.2691 3.8764 3.8764 4.2782 4.2782 4.7939 4.7939 5.5000 5.5000 5.6310 5.6310 7.7247 7.7247 7.9585 7.9585 8.3155 8.3155 9.3281 9.3281 k =-0.0624 0.0724 0.1915 ( 4777 PWs) bands (ev): -24.6402 -24.6402 -24.6321 -24.6321 -8.3467 -8.3467 -8.2981 -8.2981 -8.1089 -8.1089 -8.0455 -8.0455 -8.0390 -8.0390 -8.0236 -8.0236 -5.7560 -5.7560 -4.5961 -4.5961 0.8544 0.8544 1.3310 1.3310 2.5159 2.5159 2.9749 2.9749 3.2279 3.2279 3.8870 3.8870 4.3002 4.3002 4.7947 4.7947 5.4726 5.4726 5.6158 5.6158 7.6476 7.6476 7.9868 7.9868 8.3713 8.3713 9.3818 9.3818 k =-0.0686 0.0797 0.2107 ( 4777 PWs) bands (ev): -24.6398 -24.6398 -24.6318 -24.6318 -8.3470 -8.3470 -8.2997 -8.2997 -8.1077 -8.1077 -8.0491 -8.0491 -8.0396 -8.0396 -8.0273 -8.0273 -5.7308 -5.7308 -4.5960 -4.5960 0.8850 0.8850 1.3389 1.3389 2.5181 2.5181 2.8917 2.8917 3.1886 3.1886 3.8949 3.8949 4.3247 4.3247 4.7970 4.7970 5.4406 5.4406 5.5978 5.5978 7.5795 7.5795 8.0170 8.0170 8.4278 8.4278 9.4379 9.4379 k =-0.0749 0.0869 0.2298 ( 4773 PWs) bands (ev): -24.6394 -24.6394 -24.6315 -24.6315 -8.3473 -8.3473 -8.3014 -8.3014 -8.1064 -8.1064 -8.0531 -8.0531 -8.0406 -8.0406 -8.0306 -8.0306 -5.7035 -5.7035 -4.5959 -4.5959 0.9182 0.9182 1.3481 1.3481 2.5158 2.5158 2.8052 2.8052 3.1526 3.1526 3.9014 3.9014 4.3489 4.3489 4.8020 4.8020 5.4027 5.4027 5.5775 5.5775 7.5223 7.5223 8.0485 8.0485 8.4850 8.4850 9.4952 9.4952 k =-0.0811 0.0942 0.2490 ( 4769 PWs) bands (ev): -24.6389 -24.6389 -24.6311 -24.6311 -8.3477 -8.3477 -8.3034 -8.3034 -8.1051 -8.1051 -8.0574 -8.0574 -8.0428 -8.0428 -8.0329 -8.0329 -5.6742 -5.6742 -4.5958 -4.5958 0.9540 0.9540 1.3587 1.3587 2.5036 2.5036 2.7217 2.7217 3.1204 3.1204 3.9073 3.9073 4.3703 4.3703 4.8109 4.8109 5.3578 5.3578 5.5553 5.5553 7.4776 7.4776 8.0810 8.0810 8.5427 8.5427 9.5525 9.5525 k =-0.0873 0.1014 0.2681 ( 4781 PWs) bands (ev): -24.6384 -24.6384 -24.6307 -24.6307 -8.3482 -8.3482 -8.3055 -8.3055 -8.1037 -8.1037 -8.0618 -8.0618 -8.0462 -8.0462 -8.0339 -8.0339 -5.6430 -5.6430 -4.5957 -4.5957 0.9921 0.9921 1.3707 1.3707 2.4689 2.4689 2.6543 2.6543 3.0927 3.0927 3.9131 3.9131 4.3866 4.3866 4.8247 4.8247 5.3050 5.3050 5.5317 5.5317 7.4461 7.4461 8.1138 8.1138 8.6008 8.6008 9.6078 9.6078 k =-0.0936 0.1086 0.2873 ( 4783 PWs) bands (ev): -24.6379 -24.6379 -24.6303 -24.6303 -8.3488 -8.3488 -8.3079 -8.3079 -8.1023 -8.1023 -8.0663 -8.0663 -8.0503 -8.0503 -8.0341 -8.0341 -5.6101 -5.6101 -4.5957 -4.5957 1.0325 1.0325 1.3841 1.3841 2.4009 2.4009 2.6148 2.6148 3.0699 3.0699 3.9192 3.9192 4.3958 4.3958 4.8442 4.8442 5.2444 5.2444 5.5072 5.5072 7.4281 7.4281 8.1463 8.1463 8.6596 8.6596 9.6556 9.6556 k =-0.0998 0.1159 0.3065 ( 4787 PWs) bands (ev): -24.6374 -24.6374 -24.6299 -24.6299 -8.3495 -8.3495 -8.3105 -8.3105 -8.1008 -8.1008 -8.0709 -8.0709 -8.0548 -8.0548 -8.0340 -8.0340 -5.5755 -5.5755 -4.5956 -4.5956 1.0750 1.0750 1.3988 1.3988 2.3089 2.3089 2.5949 2.5949 3.0526 3.0526 3.9257 3.9257 4.3968 4.3968 4.8687 4.8687 5.1771 5.1771 5.4821 5.4821 7.4231 7.4231 8.1777 8.1777 8.7190 8.7190 9.6713 9.6713 k =-0.1061 0.1231 0.3256 ( 4795 PWs) bands (ev): -24.6368 -24.6368 -24.6295 -24.6295 -8.3503 -8.3503 -8.3132 -8.3132 -8.0995 -8.0995 -8.0753 -8.0753 -8.0595 -8.0595 -8.0338 -8.0338 -5.5394 -5.5394 -4.5956 -4.5956 1.1193 1.1193 1.4145 1.4145 2.2068 2.2068 2.5818 2.5818 3.0408 3.0408 3.9327 3.9327 4.3893 4.3893 4.8954 4.8954 5.1065 5.1065 5.4567 5.4567 7.4304 7.4304 8.2073 8.2073 8.7792 8.7792 9.5966 9.5966 k =-0.1123 0.1304 0.3448 ( 4803 PWs) bands (ev): -24.6363 -24.6363 -24.6291 -24.6291 -8.3512 -8.3512 -8.3162 -8.3162 -8.0983 -8.0983 -8.0795 -8.0795 -8.0641 -8.0641 -8.0334 -8.0334 -5.5019 -5.5019 -4.5955 -4.5955 1.1650 1.1650 1.4306 1.4306 2.1021 2.1021 2.5698 2.5698 3.0347 3.0347 3.9402 3.9402 4.3733 4.3733 4.9123 4.9123 5.0447 5.0447 5.4310 5.4310 7.4489 7.4489 8.2340 8.2340 8.8404 8.8404 9.4689 9.4689 k =-0.1185 0.1376 0.3639 ( 4805 PWs) bands (ev): -24.6357 -24.6357 -24.6286 -24.6286 -8.3523 -8.3523 -8.3194 -8.3194 -8.0975 -8.0975 -8.0832 -8.0832 -8.0686 -8.0686 -8.0330 -8.0330 -5.4633 -5.4633 -4.5955 -4.5955 1.2116 1.2116 1.4457 1.4457 1.9999 1.9999 2.5568 2.5568 3.0341 3.0341 3.9482 3.9482 4.3492 4.3492 4.8831 4.8831 5.0286 5.0286 5.4054 5.4054 7.4773 7.4773 8.2570 8.2570 8.9025 8.9025 9.3323 9.3323 k =-0.1248 0.1449 0.3831 ( 4803 PWs) bands (ev): -24.6351 -24.6351 -24.6282 -24.6282 -8.3535 -8.3535 -8.3227 -8.3227 -8.0977 -8.0977 -8.0860 -8.0860 -8.0729 -8.0729 -8.0326 -8.0326 -5.4236 -5.4236 -4.5955 -4.5955 1.2579 1.2579 1.4570 1.4570 1.9055 1.9055 2.5423 2.5423 3.0386 3.0386 3.9565 3.9565 4.3170 4.3170 4.8109 4.8109 5.0549 5.0549 5.3805 5.3805 7.5142 7.5142 8.2753 8.2753 8.9654 8.9654 9.1969 9.1969 k =-0.1310 0.1521 0.4022 ( 4799 PWs) bands (ev): -24.6346 -24.6346 -24.6278 -24.6278 -8.3548 -8.3548 -8.3262 -8.3262 -8.0992 -8.0992 -8.0874 -8.0874 -8.0769 -8.0769 -8.0322 -8.0322 -5.3830 -5.3830 -4.5955 -4.5955 1.3013 1.3013 1.4601 1.4601 1.8274 1.8274 2.5261 2.5261 3.0474 3.0474 3.9651 3.9651 4.2767 4.2767 4.7276 4.7276 5.0916 5.0916 5.3575 5.3575 7.5584 7.5584 8.2881 8.2881 9.0236 9.0236 9.0710 9.0710 k =-0.1373 0.1593 0.4214 ( 4803 PWs) bands (ev): -24.6340 -24.6340 -24.6274 -24.6274 -8.3562 -8.3562 -8.3299 -8.3299 -8.1020 -8.1020 -8.0878 -8.0878 -8.0803 -8.0803 -8.0319 -8.0319 -5.3418 -5.3418 -4.5955 -4.5955 1.3316 1.3316 1.4545 1.4545 1.7770 1.7770 2.5086 2.5086 3.0599 3.0599 3.9733 3.9733 4.2283 4.2283 4.6432 4.6432 5.1269 5.1269 5.3396 5.3396 7.6085 7.6085 8.2944 8.2944 8.9336 8.9336 9.0994 9.0994 k =-0.1435 0.1666 0.4405 ( 4795 PWs) bands (ev): -24.6334 -24.6334 -24.6269 -24.6269 -8.3577 -8.3577 -8.3336 -8.3336 -8.1053 -8.1053 -8.0889 -8.0889 -8.0820 -8.0820 -8.0315 -8.0315 -5.3001 -5.3001 -4.5955 -4.5955 1.3196 1.3196 1.4637 1.4637 1.7606 1.7606 2.4902 2.4902 3.0755 3.0755 3.9802 3.9802 4.1727 4.1727 4.5611 4.5611 5.1519 5.1519 5.3328 5.3328 7.6634 7.6634 8.2937 8.2937 8.8126 8.8126 9.1657 9.1657 k =-0.1497 0.1738 0.4597 ( 4791 PWs) bands (ev): -24.6328 -24.6328 -24.6265 -24.6265 -8.3593 -8.3593 -8.3375 -8.3375 -8.1087 -8.1087 -8.0915 -8.0915 -8.0819 -8.0819 -8.0312 -8.0312 -5.2583 -5.2583 -4.5954 -4.5954 1.2599 1.2599 1.4996 1.4996 1.7720 1.7720 2.4714 2.4714 3.0932 3.0932 3.9818 3.9818 4.1138 4.1138 4.4830 4.4830 5.1583 5.1583 5.3443 5.3443 7.7218 7.7218 8.2857 8.2857 8.6972 8.6972 9.2341 9.2341 k =-0.1560 0.1811 0.4788 ( 4799 PWs) bands (ev): -24.6323 -24.6323 -24.6261 -24.6261 -8.3610 -8.3610 -8.3414 -8.3414 -8.1121 -8.1121 -8.0945 -8.0945 -8.0808 -8.0808 -8.0309 -8.0309 -5.2164 -5.2164 -4.5954 -4.5954 1.1792 1.1792 1.5461 1.5461 1.8013 1.8013 2.4525 2.4525 3.1125 3.1125 3.9632 3.9632 4.0676 4.0676 4.4094 4.4094 5.1461 5.1461 5.3732 5.3732 7.7828 7.7828 8.2703 8.2703 8.5884 8.5884 9.3039 9.3039 k =-0.1622 0.1883 0.4980 ( 4803 PWs) bands (ev): -24.6318 -24.6318 -24.6257 -24.6257 -8.3628 -8.3628 -8.3453 -8.3453 -8.1153 -8.1153 -8.0977 -8.0977 -8.0793 -8.0793 -8.0307 -8.0307 -5.1749 -5.1749 -4.5953 -4.5953 1.0914 1.0914 1.5963 1.5963 1.8417 1.8417 2.4339 2.4339 3.1325 3.1325 3.9063 3.9063 4.0541 4.0541 4.3396 4.3396 5.1223 5.1223 5.4119 5.4119 7.8453 7.8453 8.2479 8.2479 8.4870 8.4870 9.3752 9.3752 k =-0.1685 0.1956 0.5171 ( 4793 PWs) bands (ev): -24.6312 -24.6312 -24.6254 -24.6254 -8.3646 -8.3646 -8.3491 -8.3491 -8.1184 -8.1184 -8.1006 -8.1006 -8.0778 -8.0778 -8.0305 -8.0305 -5.1340 -5.1340 -4.5953 -4.5953 1.0024 1.0024 1.6483 1.6483 1.8892 1.8892 2.4160 2.4160 3.1522 3.1522 3.8277 3.8277 4.0588 4.0588 4.2728 4.2728 5.0924 5.0924 5.4544 5.4544 7.9081 7.9081 8.2187 8.2187 8.3938 8.3938 9.4478 9.4478 k =-0.1747 0.2028 0.5363 ( 4793 PWs) bands (ev): -24.6307 -24.6307 -24.6250 -24.6250 -8.3665 -8.3665 -8.3529 -8.3529 -8.1212 -8.1212 -8.1035 -8.1035 -8.0761 -8.0761 -8.0304 -8.0304 -5.0939 -5.0939 -4.5951 -4.5951 0.9152 0.9152 1.7016 1.7016 1.9415 1.9415 2.3990 2.3990 3.1706 3.1706 3.7424 3.7424 4.0694 4.0694 4.2081 4.2081 5.0591 5.0591 5.4976 5.4976 7.9699 7.9699 8.1836 8.1836 8.3099 8.3099 9.5216 9.5216 k =-0.1809 0.2101 0.5554 ( 4791 PWs) bands (ev): -24.6302 -24.6302 -24.6247 -24.6247 -8.3683 -8.3683 -8.3566 -8.3566 -8.1238 -8.1238 -8.1061 -8.1061 -8.0745 -8.0745 -8.0304 -8.0304 -5.0551 -5.0551 -4.5950 -4.5950 0.8313 0.8313 1.7562 1.7562 1.9969 1.9969 2.3834 2.3834 3.1856 3.1856 3.6567 3.6567 4.0816 4.0816 4.1456 4.1456 5.0236 5.0236 5.5395 5.5395 8.0278 8.0278 8.1433 8.1433 8.2377 8.2377 9.5967 9.5967 k =-0.1872 0.2173 0.5746 ( 4787 PWs) bands (ev): -24.6297 -24.6297 -24.6244 -24.6244 -8.3702 -8.3702 -8.3600 -8.3600 -8.1263 -8.1263 -8.1086 -8.1086 -8.0729 -8.0729 -8.0304 -8.0304 -5.0177 -5.0177 -4.5947 -4.5947 0.7519 0.7519 1.8120 1.8120 2.0538 2.0538 2.3697 2.3697 3.1941 3.1941 3.5758 3.5758 4.0729 4.0729 4.1065 4.1065 4.9868 4.9868 5.5789 5.5789 8.0648 8.0648 8.1103 8.1103 8.1828 8.1828 9.6729 9.6729 k =-0.1934 0.2245 0.5938 ( 4787 PWs) bands (ev): -24.6293 -24.6293 -24.6242 -24.6242 -8.3721 -8.3721 -8.3633 -8.3633 -8.1285 -8.1285 -8.1108 -8.1108 -8.0713 -8.0713 -8.0305 -8.0305 -4.9821 -4.9821 -4.5945 -4.5945 0.6778 0.6778 1.8690 1.8690 2.1103 2.1103 2.3587 2.3587 3.1906 3.1906 3.5061 3.5061 4.0149 4.0149 4.1189 4.1189 4.9492 4.9492 5.6148 5.6148 8.0314 8.0314 8.1031 8.1031 8.1767 8.1767 9.7502 9.7502 k =-0.1996 0.2318 0.6129 ( 4788 PWs) bands (ev): -24.6289 -24.6289 -24.6240 -24.6240 -8.3739 -8.3739 -8.3662 -8.3662 -8.1305 -8.1305 -8.1129 -8.1129 -8.0697 -8.0697 -8.0306 -8.0306 -4.9487 -4.9487 -4.5941 -4.5941 0.6098 0.6098 1.9269 1.9269 2.1641 2.1641 2.3523 2.3523 3.1674 3.1674 3.4561 3.4561 3.9538 3.9538 4.1366 4.1366 4.9112 4.9112 5.6461 5.6461 7.9819 7.9819 8.0692 8.0692 8.2184 8.2184 9.8284 9.8284 k =-0.2059 0.2390 0.6321 ( 4788 PWs) bands (ev): -24.6285 -24.6285 -24.6238 -24.6238 -8.3758 -8.3758 -8.3688 -8.3688 -8.1323 -8.1323 -8.1148 -8.1148 -8.0682 -8.0682 -8.0309 -8.0309 -4.9178 -4.9178 -4.5937 -4.5937 0.5483 0.5483 1.9851 1.9851 2.2113 2.2113 2.3534 2.3534 3.1208 3.1208 3.4296 3.4296 3.8940 3.8940 4.1561 4.1561 4.8733 4.8733 5.6721 5.6721 7.9346 7.9346 8.0349 8.0349 8.2639 8.2639 9.9075 9.9075 k =-0.2121 0.2463 0.6512 ( 4800 PWs) bands (ev): -24.6282 -24.6282 -24.6237 -24.6237 -8.3777 -8.3777 -8.3709 -8.3709 -8.1340 -8.1340 -8.1165 -8.1165 -8.0667 -8.0667 -8.0312 -8.0312 -4.8896 -4.8896 -4.5932 -4.5932 0.4939 0.4939 2.0421 2.0421 2.2468 2.2468 2.3672 2.3672 3.0570 3.0570 3.4212 3.4212 3.8366 3.8366 4.1769 4.1769 4.8360 4.8360 5.6919 5.6919 7.8923 7.8923 8.0055 8.0055 8.3056 8.3056 9.9874 9.9874 k =-0.2184 0.2535 0.6704 ( 4786 PWs) bands (ev): -24.6278 -24.6278 -24.6235 -24.6235 -8.3795 -8.3795 -8.3726 -8.3726 -8.1355 -8.1355 -8.1181 -8.1181 -8.0653 -8.0653 -8.0316 -8.0316 -4.8646 -4.8646 -4.5927 -4.5927 0.4470 0.4470 2.0952 2.0952 2.2705 2.2705 2.3943 2.3943 2.9852 2.9852 3.4221 3.4221 3.7834 3.7834 4.1987 4.1987 4.7998 4.7998 5.7049 5.7049 7.8561 7.8561 7.9823 7.9823 8.3416 8.3416 10.0679 10.0679 k =-0.2246 0.2608 0.6895 ( 4786 PWs) bands (ev): -24.6276 -24.6276 -24.6234 -24.6234 -8.3812 -8.3812 -8.3740 -8.3740 -8.1368 -8.1368 -8.1195 -8.1195 -8.0640 -8.0640 -8.0320 -8.0320 -4.8428 -4.8428 -4.5920 -4.5920 0.4080 0.4080 2.1386 2.1386 2.2930 2.2930 2.4268 2.4268 2.9123 2.9123 3.4264 3.4264 3.7361 3.7361 4.2211 4.2211 4.7653 4.7653 5.7104 5.7104 7.8263 7.8263 7.9664 7.9664 8.3708 8.3708 10.1488 10.1488 k =-0.2308 0.2680 0.7087 ( 4786 PWs) bands (ev): -24.6273 -24.6273 -24.6233 -24.6233 -8.3827 -8.3827 -8.3749 -8.3749 -8.1380 -8.1380 -8.1207 -8.1207 -8.0627 -8.0627 -8.0325 -8.0325 -4.8247 -4.8247 -4.5912 -4.5912 0.3772 0.3772 2.1662 2.1662 2.3247 2.3247 2.4559 2.4559 2.8439 2.8439 3.4311 3.4311 3.6968 3.6968 4.2437 4.2437 4.7334 4.7334 5.7083 5.7083 7.8031 7.8031 7.9585 7.9585 8.3925 8.3925 10.2299 10.2299 k =-0.2371 0.2752 0.7278 ( 4798 PWs) bands (ev): -24.6272 -24.6272 -24.6234 -24.6234 -8.3840 -8.3840 -8.3756 -8.3756 -8.1391 -8.1391 -8.1218 -8.1218 -8.0615 -8.0615 -8.0332 -8.0332 -4.8104 -4.8104 -4.5903 -4.5903 0.3548 0.3548 2.1785 2.1785 2.3636 2.3636 2.4762 2.4762 2.7861 2.7861 3.4348 3.4348 3.6675 3.6675 4.2654 4.2654 4.7052 4.7052 5.6982 5.6982 7.7864 7.7864 7.9590 7.9590 8.4061 8.4061 10.3109 10.3109 k =-0.2433 0.2825 0.7470 ( 4794 PWs) bands (ev): -24.6270 -24.6270 -24.6234 -24.6234 -8.3851 -8.3851 -8.3759 -8.3759 -8.1401 -8.1401 -8.1227 -8.1227 -8.0604 -8.0604 -8.0338 -8.0338 -4.8000 -4.8000 -4.5893 -4.5893 0.3411 0.3411 2.1813 2.1813 2.3945 2.3945 2.4872 2.4872 2.7476 2.7476 3.4373 3.4373 3.6495 3.6495 4.2850 4.2850 4.6821 4.6821 5.6803 5.6803 7.7762 7.7762 7.9681 7.9681 8.4114 8.4114 10.3911 10.3911 k =-0.2496 0.2897 0.7661 ( 4802 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3859 -8.3859 -8.3758 -8.3758 -8.1410 -8.1410 -8.1235 -8.1235 -8.0593 -8.0593 -8.0345 -8.0345 -4.7937 -4.7937 -4.5882 -4.5882 0.3361 0.3361 2.1787 2.1787 2.3953 2.3953 2.4955 2.4955 2.7385 2.7385 3.4395 3.4395 3.6431 3.6431 4.3009 4.3009 4.6661 4.6661 5.6550 5.6550 7.7726 7.7726 7.9856 7.9856 8.4084 8.4084 10.4639 10.4639 k =-0.2558 0.2970 0.7853 ( 4810 PWs) bands (ev): -24.6268 -24.6268 -24.6236 -24.6236 -8.3864 -8.3864 -8.3756 -8.3756 -8.1418 -8.1418 -8.1241 -8.1241 -8.0583 -8.0583 -8.0353 -8.0353 -4.7915 -4.7915 -4.5870 -4.5870 0.3400 0.3400 2.1721 2.1721 2.3650 2.3650 2.4960 2.4960 2.7629 2.7629 3.4424 3.4424 3.6477 3.6477 4.3111 4.3111 4.6589 4.6589 5.6228 5.6228 7.7755 7.7755 8.0109 8.0109 8.3973 8.3973 10.4322 10.4322 k =-0.2620 0.3042 0.8044 ( 4804 PWs) bands (ev): -24.6268 -24.6268 -24.6237 -24.6237 -8.3865 -8.3865 -8.3750 -8.3750 -8.1424 -8.1424 -8.1245 -8.1245 -8.0573 -8.0573 -8.0362 -8.0362 -4.7934 -4.7934 -4.5856 -4.5856 0.3526 0.3526 2.1606 2.1606 2.3208 2.3208 2.4800 2.4800 2.8140 2.8140 3.4458 3.4458 3.6628 3.6628 4.3143 4.3143 4.6621 4.6621 5.5843 5.5843 7.7850 7.7850 8.0430 8.0430 8.3789 8.3789 10.3819 10.3819 k =-0.2683 0.3115 0.8236 ( 4816 PWs) bands (ev): -24.6268 -24.6268 -24.6239 -24.6239 -8.3864 -8.3864 -8.3742 -8.3742 -8.1430 -8.1430 -8.1247 -8.1247 -8.0565 -8.0565 -8.0371 -8.0371 -4.7994 -4.7994 -4.5842 -4.5842 0.3739 0.3739 2.1410 2.1410 2.2763 2.2763 2.4495 2.4495 2.8806 2.8806 3.4492 3.4492 3.6876 3.6876 4.3104 4.3104 4.6757 4.6757 5.5405 5.5405 7.8010 7.8010 8.0802 8.0802 8.3548 8.3548 10.3337 10.3337 k =-0.2745 0.3187 0.8427 ( 4816 PWs) bands (ev): -24.6269 -24.6269 -24.6242 -24.6242 -8.3860 -8.3860 -8.3731 -8.3731 -8.1435 -8.1435 -8.1248 -8.1248 -8.0556 -8.0556 -8.0380 -8.0380 -4.8092 -4.8092 -4.5826 -4.5826 0.4038 0.4038 2.1086 2.1086 2.2402 2.2402 2.4096 2.4096 2.9548 2.9548 3.4522 3.4522 3.7213 3.7213 4.3006 4.3006 4.6985 4.6985 5.4921 5.4921 7.8237 7.8237 8.1184 8.1184 8.3291 8.3291 10.2879 10.2879 k =-0.2808 0.3259 0.8619 ( 4816 PWs) bands (ev): -24.6269 -24.6269 -24.6245 -24.6245 -8.3854 -8.3854 -8.3718 -8.3718 -8.1439 -8.1439 -8.1247 -8.1247 -8.0549 -8.0549 -8.0389 -8.0389 -4.8227 -4.8227 -4.5809 -4.5809 0.4420 0.4420 2.0634 2.0634 2.2130 2.2130 2.3655 2.3655 3.0314 3.0314 3.4555 3.4555 3.7625 3.7625 4.2866 4.2866 4.7285 4.7285 5.4400 5.4400 7.8530 7.8530 8.1467 8.1467 8.3124 8.3124 10.2446 10.2446 k =-0.2870 0.3332 0.8810 ( 4812 PWs) bands (ev): -24.6270 -24.6270 -24.6247 -24.6247 -8.3845 -8.3845 -8.3703 -8.3703 -8.1441 -8.1441 -8.1244 -8.1244 -8.0542 -8.0542 -8.0399 -8.0399 -4.8397 -4.8397 -4.5792 -4.5792 0.4881 0.4881 2.0103 2.0103 2.1868 2.1868 2.3240 2.3240 3.1060 3.1060 3.4613 3.4613 3.8096 3.8096 4.2702 4.2702 4.7640 4.7640 5.3850 5.3850 7.8889 7.8889 8.1451 8.1451 8.3250 8.3250 10.2035 10.2035 k =-0.2870 0.3332 0.8810 ( 4812 PWs) bands (ev): -24.6270 -24.6270 -24.6247 -24.6247 -8.3845 -8.3845 -8.3703 -8.3703 -8.1441 -8.1441 -8.1244 -8.1244 -8.0542 -8.0542 -8.0399 -8.0399 -4.8397 -4.8397 -4.5792 -4.5792 0.4881 0.4881 2.0103 2.0103 2.1868 2.1868 2.3240 2.3240 3.1060 3.1060 3.4613 3.4613 3.8096 3.8096 4.2702 4.2702 4.7640 4.7640 5.3850 5.3850 7.8889 7.8889 8.1451 8.1451 8.3250 8.3250 10.2035 10.2035 k =-0.2757 0.3201 0.8897 ( 4806 PWs) bands (ev): -24.6270 -24.6270 -24.6247 -24.6247 -8.3844 -8.3844 -8.3703 -8.3703 -8.1441 -8.1441 -8.1244 -8.1244 -8.0542 -8.0542 -8.0398 -8.0398 -4.8396 -4.8396 -4.5794 -4.5794 0.4883 0.4883 2.0082 2.0082 2.1872 2.1872 2.3265 2.3265 3.1055 3.1055 3.4610 3.4610 3.8099 3.8099 4.2701 4.2701 4.7639 4.7639 5.3858 5.3858 7.8921 7.8921 8.1403 8.1403 8.3227 8.3227 10.2024 10.2024 k =-0.2644 0.3070 0.8983 ( 4810 PWs) bands (ev): -24.6270 -24.6270 -24.6247 -24.6247 -8.3844 -8.3844 -8.3703 -8.3703 -8.1441 -8.1441 -8.1243 -8.1243 -8.0542 -8.0542 -8.0398 -8.0398 -4.8392 -4.8392 -4.5802 -4.5802 0.4890 0.4890 2.0020 2.0020 2.1884 2.1884 2.3339 2.3339 3.1041 3.1041 3.4599 3.4599 3.8108 3.8108 4.2696 4.2696 4.7634 4.7634 5.3880 5.3880 7.9014 7.9014 8.1255 8.1255 8.3168 8.3168 10.1992 10.1992 k =-0.2532 0.2939 0.9069 ( 4806 PWs) bands (ev): -24.6270 -24.6270 -24.6247 -24.6247 -8.3843 -8.3843 -8.3704 -8.3704 -8.1440 -8.1440 -8.1243 -8.1243 -8.0542 -8.0542 -8.0397 -8.0397 -4.8386 -4.8386 -4.5814 -4.5814 0.4901 0.4901 1.9924 1.9924 2.1902 2.1902 2.3455 2.3455 3.1018 3.1018 3.4581 3.4581 3.8123 3.8123 4.2689 4.2689 4.7627 4.7627 5.3917 5.3917 7.9167 7.9167 8.0996 8.0996 8.3095 8.3095 10.1941 10.1941 k =-0.2419 0.2808 0.9156 ( 4810 PWs) bands (ev): -24.6270 -24.6270 -24.6247 -24.6247 -8.3843 -8.3843 -8.3706 -8.3706 -8.1440 -8.1440 -8.1243 -8.1243 -8.0542 -8.0542 -8.0395 -8.0395 -4.8377 -4.8377 -4.5832 -4.5832 0.4916 0.4916 1.9805 1.9805 2.1921 2.1921 2.3608 2.3608 3.0986 3.0986 3.4557 3.4557 3.8145 3.8145 4.2679 4.2679 4.7618 4.7618 5.3969 5.3969 7.9372 7.9372 8.0627 8.0627 8.3031 8.3031 10.1872 10.1872 k =-0.2306 0.2677 0.9242 ( 4805 PWs) bands (ev): -24.6271 -24.6271 -24.6247 -24.6247 -8.3842 -8.3842 -8.3707 -8.3707 -8.1439 -8.1439 -8.1242 -8.1242 -8.0542 -8.0542 -8.0394 -8.0394 -4.8366 -4.8366 -4.5853 -4.5853 0.4935 0.4935 1.9670 1.9670 2.1940 2.1940 2.3790 2.3790 3.0946 3.0946 3.4527 3.4527 3.8172 3.8172 4.2666 4.2666 4.7607 4.7607 5.4033 5.4033 7.9588 7.9588 8.0197 8.0197 8.2987 8.2987 10.1788 10.1788 k =-0.2193 0.2546 0.9328 ( 4797 PWs) bands (ev): -24.6271 -24.6271 -24.6247 -24.6247 -8.3840 -8.3840 -8.3709 -8.3709 -8.1438 -8.1438 -8.1242 -8.1242 -8.0542 -8.0542 -8.0392 -8.0392 -4.8352 -4.8352 -4.5880 -4.5880 0.4957 0.4957 1.9528 1.9528 2.1959 2.1959 2.3992 2.3992 3.0899 3.0899 3.4493 3.4493 3.8205 3.8205 4.2650 4.2650 4.7596 4.7596 5.4110 5.4110 7.9416 7.9416 8.0122 8.0122 8.2964 8.2964 10.1692 10.1692 k =-0.2080 0.2415 0.9414 ( 4797 PWs) bands (ev): -24.6271 -24.6271 -24.6246 -24.6246 -8.3839 -8.3839 -8.3711 -8.3711 -8.1436 -8.1436 -8.1241 -8.1241 -8.0543 -8.0543 -8.0389 -8.0389 -4.8337 -4.8337 -4.5910 -4.5910 0.4982 0.4982 1.9382 1.9382 2.1977 2.1977 2.4207 2.4207 3.0845 3.0845 3.4455 3.4455 3.8244 3.8244 4.2632 4.2632 4.7584 4.7584 5.4198 5.4198 7.8819 7.8819 8.0459 8.0459 8.2958 8.2958 10.1587 10.1587 k =-0.1968 0.2284 0.9501 ( 4792 PWs) bands (ev): -24.6271 -24.6271 -24.6246 -24.6246 -8.3837 -8.3837 -8.3714 -8.3714 -8.1435 -8.1435 -8.1240 -8.1240 -8.0543 -8.0543 -8.0387 -8.0387 -4.8320 -4.8320 -4.5943 -4.5943 0.5010 0.5010 1.9238 1.9238 2.1994 2.1994 2.4429 2.4429 3.0787 3.0787 3.4415 3.4415 3.8288 3.8288 4.2612 4.2612 4.7572 4.7572 5.4296 5.4296 7.8137 7.8137 8.0886 8.0886 8.2966 8.2966 10.1475 10.1475 k =-0.1855 0.2153 0.9587 ( 4788 PWs) bands (ev): -24.6271 -24.6271 -24.6246 -24.6246 -8.3835 -8.3835 -8.3716 -8.3716 -8.1433 -8.1433 -8.1239 -8.1239 -8.0543 -8.0543 -8.0384 -8.0384 -4.8302 -4.8302 -4.5979 -4.5979 0.5041 0.5041 1.9099 1.9099 2.2012 2.2012 2.4653 2.4653 3.0724 3.0724 3.4373 3.4373 3.8338 3.8338 4.2589 4.2589 4.7562 4.7562 5.4403 5.4403 7.7422 7.7422 8.1363 8.1363 8.2987 8.2987 10.1361 10.1361 k =-0.1855 0.2153 0.9587 ( 4788 PWs) bands (ev): -24.6271 -24.6271 -24.6246 -24.6246 -8.3835 -8.3835 -8.3716 -8.3716 -8.1433 -8.1433 -8.1239 -8.1239 -8.0543 -8.0543 -8.0384 -8.0384 -4.8302 -4.8302 -4.5979 -4.5979 0.5041 0.5041 1.9099 1.9099 2.2012 2.2012 2.4653 2.4653 3.0724 3.0724 3.4373 3.4373 3.8338 3.8338 4.2589 4.2589 4.7562 4.7562 5.4403 5.4403 7.7422 7.7422 8.1363 8.1363 8.2987 8.2987 10.1361 10.1361 k =-0.1722 0.2000 0.9587 ( 4783 PWs) bands (ev): -24.6271 -24.6271 -24.6244 -24.6244 -8.3838 -8.3838 -8.3726 -8.3726 -8.1431 -8.1431 -8.1241 -8.1241 -8.0546 -8.0546 -8.0377 -8.0377 -4.8206 -4.8206 -4.6019 -4.6019 0.4865 0.4865 1.9205 1.9205 2.2051 2.2051 2.5077 2.5077 3.0389 3.0389 3.4338 3.4338 3.8152 3.8152 4.2644 4.2644 4.7402 4.7402 5.4716 5.4716 7.6940 7.6940 8.1675 8.1675 8.2788 8.2788 10.1387 10.1387 k =-0.1590 0.1846 0.9587 ( 4785 PWs) bands (ev): -24.6270 -24.6270 -24.6243 -24.6243 -8.3840 -8.3840 -8.3735 -8.3735 -8.1429 -8.1429 -8.1242 -8.1242 -8.0548 -8.0548 -8.0370 -8.0370 -4.8114 -4.8114 -4.6060 -4.6060 0.4704 0.4704 1.9315 1.9315 2.2081 2.2081 2.5467 2.5467 3.0091 3.0091 3.4313 3.4313 3.7966 3.7966 4.2698 4.2698 4.7249 4.7249 5.5019 5.5019 7.6449 7.6449 8.1966 8.1966 8.2680 8.2680 10.1404 10.1404 k =-0.1457 0.1692 0.9587 ( 4779 PWs) bands (ev): -24.6270 -24.6270 -24.6241 -24.6241 -8.3842 -8.3842 -8.3744 -8.3744 -8.1427 -8.1427 -8.1242 -8.1242 -8.0551 -8.0551 -8.0364 -8.0364 -4.8027 -4.8027 -4.6100 -4.6100 0.4557 0.4557 1.9430 1.9430 2.2105 2.2105 2.5789 2.5789 2.9863 2.9863 3.4295 3.4295 3.7776 3.7776 4.2751 4.2751 4.7106 4.7106 5.5312 5.5312 7.5961 7.5961 8.2065 8.2065 8.2833 8.2833 10.1414 10.1414 k =-0.1325 0.1538 0.9587 ( 4784 PWs) bands (ev): -24.6270 -24.6270 -24.6240 -24.6240 -8.3843 -8.3843 -8.3753 -8.3753 -8.1425 -8.1425 -8.1243 -8.1243 -8.0553 -8.0553 -8.0357 -8.0357 -4.7945 -4.7945 -4.6139 -4.6139 0.4425 0.4425 1.9549 1.9549 2.2126 2.2126 2.6010 2.6010 2.9739 2.9739 3.4280 3.4280 3.7582 3.7582 4.2803 4.2803 4.6971 4.6971 5.5589 5.5589 7.5485 7.5485 8.1974 8.1974 8.3240 8.3240 10.1417 10.1417 k =-0.1192 0.1384 0.9587 ( 4792 PWs) bands (ev): -24.6270 -24.6270 -24.6239 -24.6239 -8.3844 -8.3844 -8.3762 -8.3762 -8.1423 -8.1423 -8.1244 -8.1244 -8.0555 -8.0555 -8.0351 -8.0351 -4.7869 -4.7869 -4.6178 -4.6178 0.4307 0.4307 1.9672 1.9672 2.2145 2.2145 2.6101 2.6101 2.9747 2.9747 3.4264 3.4264 3.7386 3.7386 4.2853 4.2853 4.6847 4.6847 5.5850 5.5850 7.5030 7.5030 8.1838 8.1838 8.3749 8.3749 10.1415 10.1415 k =-0.1060 0.1231 0.9587 ( 4790 PWs) bands (ev): -24.6270 -24.6270 -24.6238 -24.6238 -8.3845 -8.3845 -8.3770 -8.3770 -8.1421 -8.1421 -8.1244 -8.1244 -8.0556 -8.0556 -8.0346 -8.0346 -4.7798 -4.7798 -4.6214 -4.6214 0.4202 0.4202 1.9798 1.9798 2.2163 2.2163 2.6064 2.6064 2.9889 2.9889 3.4246 3.4246 3.7186 3.7186 4.2900 4.2900 4.6733 4.6733 5.6091 5.6091 7.4603 7.4603 8.1702 8.1702 8.4309 8.4309 10.1408 10.1408 k =-0.0927 0.1077 0.9587 ( 4792 PWs) bands (ev): -24.6269 -24.6269 -24.6237 -24.6237 -8.3846 -8.3846 -8.3777 -8.3777 -8.1420 -8.1420 -8.1244 -8.1244 -8.0558 -8.0558 -8.0341 -8.0341 -4.7734 -4.7734 -4.6249 -4.6249 0.4111 0.4111 1.9925 1.9925 2.2183 2.2183 2.5926 2.5926 3.0135 3.0135 3.4223 3.4223 3.6987 3.6987 4.2944 4.2944 4.6630 4.6630 5.6310 5.6310 7.4211 7.4211 8.1576 8.1576 8.4900 8.4900 10.1396 10.1396 k =-0.0795 0.0923 0.9587 ( 4789 PWs) bands (ev): -24.6269 -24.6269 -24.6237 -24.6237 -8.3845 -8.3845 -8.3784 -8.3784 -8.1419 -8.1419 -8.1245 -8.1245 -8.0559 -8.0559 -8.0336 -8.0336 -4.7677 -4.7677 -4.6281 -4.6281 0.4033 0.4033 2.0051 2.0051 2.2203 2.2203 2.5728 2.5728 3.0445 3.0445 3.4192 3.4192 3.6790 3.6790 4.2984 4.2984 4.6539 4.6539 5.6505 5.6505 7.3859 7.3859 8.1465 8.1465 8.5504 8.5504 10.1376 10.1376 k =-0.0662 0.0769 0.9587 ( 4785 PWs) bands (ev): -24.6269 -24.6269 -24.6236 -24.6236 -8.3845 -8.3845 -8.3790 -8.3790 -8.1417 -8.1417 -8.1245 -8.1245 -8.0560 -8.0560 -8.0332 -8.0332 -4.7627 -4.7627 -4.6309 -4.6309 0.3968 0.3968 2.0172 2.0172 2.2224 2.2224 2.5506 2.5506 3.0783 3.0783 3.4150 3.4150 3.6602 3.6602 4.3020 4.3020 4.6461 4.6461 5.6674 5.6674 7.3553 7.3553 8.1370 8.1370 8.6104 8.6104 10.1327 10.1327 k =-0.0530 0.0615 0.9587 ( 4789 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3844 -8.3844 -8.3796 -8.3796 -8.1416 -8.1416 -8.1245 -8.1245 -8.0561 -8.0561 -8.0328 -8.0328 -4.7585 -4.7585 -4.6334 -4.6334 0.3915 0.3915 2.0282 2.0282 2.2247 2.2247 2.5287 2.5287 3.1120 3.1120 3.4097 3.4097 3.6430 3.6430 4.3051 4.3051 4.6395 4.6395 5.6815 5.6815 7.3297 7.3297 8.1291 8.1291 8.6675 8.6675 10.1002 10.1002 k =-0.0397 0.0461 0.9587 ( 4779 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3844 -8.3844 -8.3801 -8.3801 -8.1415 -8.1415 -8.1245 -8.1245 -8.0562 -8.0562 -8.0325 -8.0325 -4.7552 -4.7552 -4.6353 -4.6353 0.3874 0.3874 2.0377 2.0377 2.2269 2.2269 2.5091 2.5091 3.1430 3.1430 3.4033 3.4033 3.6282 3.6282 4.3076 4.3076 4.6343 4.6343 5.6926 5.6926 7.3094 7.3094 8.1229 8.1229 8.7186 8.7186 10.0332 10.0332 k =-0.0265 0.0308 0.9587 ( 4783 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3843 -8.3843 -8.3804 -8.3804 -8.1415 -8.1415 -8.1245 -8.1245 -8.0563 -8.0563 -8.0324 -8.0324 -4.7528 -4.7528 -4.6368 -4.6368 0.3845 0.3845 2.0450 2.0450 2.2289 2.2289 2.4937 2.4937 3.1687 3.1687 3.3966 3.3966 3.6168 3.6168 4.3094 4.3094 4.6306 4.6306 5.7006 5.7006 7.2948 7.2948 8.1185 8.1185 8.7597 8.7597 9.9762 9.9762 k =-0.0132 0.0154 0.9587 ( 4784 PWs) bands (ev): -24.6269 -24.6269 -24.6234 -24.6234 -8.3842 -8.3842 -8.3807 -8.3807 -8.1414 -8.1414 -8.1245 -8.1245 -8.0563 -8.0563 -8.0322 -8.0322 -4.7513 -4.7513 -4.6377 -4.6377 0.3827 0.3827 2.0497 2.0497 2.2302 2.2302 2.4838 2.4838 3.1861 3.1861 3.3912 3.3912 3.6096 3.6096 4.3105 4.3105 4.6283 4.6283 5.7054 5.7054 7.2859 7.2859 8.1159 8.1159 8.7868 8.7868 9.9389 9.9389 k = 0.0000 0.0000 0.9587 ( 4788 PWs) bands (ev): -24.6269 -24.6269 -24.6234 -24.6234 -8.3842 -8.3842 -8.3807 -8.3807 -8.1414 -8.1414 -8.1245 -8.1245 -8.0563 -8.0563 -8.0322 -8.0322 -4.7508 -4.7508 -4.6380 -4.6380 0.3821 0.3821 2.0513 2.0513 2.2307 2.2307 2.4804 2.4804 3.1924 3.1924 3.3890 3.3890 3.6072 3.6072 4.3109 4.3109 4.6276 4.6276 5.7071 5.7071 7.2829 7.2829 8.1150 8.1150 8.7963 8.7963 9.9260 9.9260 k = 0.0000 0.0000 0.9587 ( 4788 PWs) bands (ev): -24.6269 -24.6269 -24.6234 -24.6234 -8.3842 -8.3842 -8.3807 -8.3807 -8.1414 -8.1414 -8.1245 -8.1245 -8.0563 -8.0563 -8.0322 -8.0322 -4.7508 -4.7508 -4.6380 -4.6380 0.3821 0.3821 2.0513 2.0513 2.2307 2.2307 2.4804 2.4804 3.1924 3.1924 3.3890 3.3890 3.6072 3.6072 4.3109 4.3109 4.6276 4.6276 5.7071 5.7071 7.2829 7.2829 8.1150 8.1150 8.7963 8.7963 9.9260 9.9260 k = 0.0156 0.0135 0.9587 ( 4784 PWs) bands (ev): -24.6269 -24.6269 -24.6234 -24.6234 -8.3842 -8.3842 -8.3807 -8.3807 -8.1414 -8.1414 -8.1245 -8.1245 -8.0563 -8.0563 -8.0323 -8.0323 -4.7508 -4.7508 -4.6380 -4.6380 0.3821 0.3821 2.0512 2.0512 2.2301 2.2301 2.4810 2.4810 3.1924 3.1924 3.3891 3.3891 3.6072 3.6072 4.3108 4.3108 4.6277 4.6277 5.7072 5.7072 7.2828 7.2828 8.1142 8.1142 8.7963 8.7963 9.9211 9.9211 k = 0.0312 0.0269 0.9587 ( 4786 PWs) bands (ev): -24.6269 -24.6269 -24.6234 -24.6234 -8.3843 -8.3843 -8.3806 -8.3806 -8.1413 -8.1413 -8.1245 -8.1245 -8.0563 -8.0563 -8.0325 -8.0325 -4.7507 -4.7507 -4.6380 -4.6380 0.3821 0.3821 2.0511 2.0511 2.2282 2.2282 2.4829 2.4829 3.1924 3.1924 3.3892 3.3892 3.6073 3.6073 4.3106 4.3106 4.6283 4.6283 5.7078 5.7078 7.2825 7.2825 8.1118 8.1118 8.7965 8.7965 9.9053 9.9053 k = 0.0469 0.0404 0.9587 ( 4784 PWs) bands (ev): -24.6269 -24.6269 -24.6234 -24.6234 -8.3843 -8.3843 -8.3805 -8.3805 -8.1411 -8.1411 -8.1246 -8.1246 -8.0562 -8.0562 -8.0328 -8.0328 -4.7507 -4.7507 -4.6380 -4.6380 0.3821 0.3821 2.0509 2.0509 2.2252 2.2252 2.4859 2.4859 3.1925 3.1925 3.3894 3.3894 3.6075 3.6075 4.3102 4.3102 4.6291 4.6291 5.7086 5.7086 7.2821 7.2821 8.1080 8.1080 8.7967 8.7967 9.8765 9.8765 k = 0.0625 0.0538 0.9587 ( 4782 PWs) bands (ev): -24.6269 -24.6269 -24.6234 -24.6234 -8.3844 -8.3844 -8.3803 -8.3803 -8.1408 -8.1408 -8.1247 -8.1247 -8.0561 -8.0561 -8.0332 -8.0332 -4.7506 -4.7506 -4.6380 -4.6380 0.3821 0.3821 2.0507 2.0507 2.2213 2.2213 2.4898 2.4898 3.1926 3.1926 3.3897 3.3897 3.6078 3.6078 4.3096 4.3096 4.6302 4.6302 5.7098 5.7098 7.2815 7.2815 8.1029 8.1029 8.7971 8.7971 9.8351 9.8351 k = 0.0781 0.0673 0.9587 ( 4786 PWs) bands (ev): -24.6269 -24.6269 -24.6234 -24.6234 -8.3845 -8.3845 -8.3801 -8.3801 -8.1404 -8.1404 -8.1247 -8.1247 -8.0560 -8.0560 -8.0338 -8.0338 -4.7504 -4.7504 -4.6380 -4.6380 0.3821 0.3821 2.0504 2.0504 2.2168 2.2168 2.4944 2.4944 3.1927 3.1927 3.3901 3.3901 3.6082 3.6082 4.3089 4.3089 4.6316 4.6316 5.7112 5.7112 7.2808 7.2808 8.0968 8.0968 8.7974 8.7974 9.7859 9.7859 k = 0.0938 0.0808 0.9587 ( 4794 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3845 -8.3845 -8.3799 -8.3799 -8.1400 -8.1400 -8.1248 -8.1248 -8.0559 -8.0559 -8.0344 -8.0344 -4.7503 -4.7503 -4.6380 -4.6380 0.3821 0.3821 2.0500 2.0500 2.2117 2.2117 2.4995 2.4995 3.1928 3.1928 3.3905 3.3905 3.6085 3.6085 4.3082 4.3082 4.6332 4.6332 5.7128 5.7128 7.2800 7.2800 8.0899 8.0899 8.7977 8.7977 9.7341 9.7341 k = 0.1094 0.0942 0.9587 ( 4790 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3846 -8.3846 -8.3797 -8.3797 -8.1396 -8.1396 -8.1250 -8.1250 -8.0558 -8.0558 -8.0351 -8.0351 -4.7502 -4.7502 -4.6380 -4.6380 0.3821 0.3821 2.0496 2.0496 2.2065 2.2065 2.5047 2.5047 3.1930 3.1930 3.3910 3.3910 3.6090 3.6090 4.3074 4.3074 4.6349 4.6349 5.7146 5.7146 7.2790 7.2790 8.0825 8.0825 8.7980 8.7980 9.6833 9.6833 k = 0.1250 0.1077 0.9587 ( 4784 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3847 -8.3847 -8.3795 -8.3795 -8.1391 -8.1391 -8.1251 -8.1251 -8.0556 -8.0556 -8.0359 -8.0359 -4.7500 -4.7500 -4.6379 -4.6379 0.3821 0.3821 2.0492 2.0492 2.2013 2.2013 2.5100 2.5100 3.1931 3.1931 3.3915 3.3915 3.6094 3.6094 4.3065 4.3065 4.6366 4.6366 5.7165 5.7165 7.2781 7.2781 8.0749 8.0749 8.7982 8.7982 9.6355 9.6355 k = 0.1406 0.1211 0.9587 ( 4774 PWs) bands (ev): -24.6268 -24.6268 -24.6234 -24.6234 -8.3847 -8.3847 -8.3793 -8.3793 -8.1385 -8.1385 -8.1252 -8.1252 -8.0554 -8.0554 -8.0366 -8.0366 -4.7498 -4.7498 -4.6379 -4.6379 0.3822 0.3822 2.0487 2.0487 2.1963 2.1963 2.5151 2.5151 3.1933 3.1933 3.3919 3.3919 3.6099 3.6099 4.3057 4.3057 4.6384 4.6384 5.7183 5.7183 7.2771 7.2771 8.0675 8.0675 8.7984 8.7984 9.5917 9.5917 k = 0.1562 0.1346 0.9587 ( 4774 PWs) bands (ev): -24.6268 -24.6268 -24.6234 -24.6234 -8.3848 -8.3848 -8.3791 -8.3791 -8.1380 -8.1380 -8.1254 -8.1254 -8.0552 -8.0552 -8.0374 -8.0374 -4.7497 -4.7497 -4.6379 -4.6379 0.3822 0.3822 2.0483 2.0483 2.1917 2.1917 2.5198 2.5198 3.1934 3.1934 3.3924 3.3924 3.6103 3.6103 4.3049 4.3049 4.6400 4.6400 5.7201 5.7201 7.2762 7.2762 8.0604 8.0604 8.7985 8.7985 9.5526 9.5526 k = 0.1719 0.1480 0.9587 ( 4778 PWs) bands (ev): -24.6268 -24.6268 -24.6234 -24.6234 -8.3848 -8.3848 -8.3789 -8.3789 -8.1375 -8.1375 -8.1256 -8.1256 -8.0550 -8.0550 -8.0381 -8.0381 -4.7496 -4.7496 -4.6379 -4.6379 0.3822 0.3822 2.0478 2.0478 2.1875 2.1875 2.5241 2.5241 3.1936 3.1936 3.3928 3.3928 3.6107 3.6107 4.3042 4.3042 4.6416 4.6416 5.7218 5.7218 7.2753 7.2753 8.0540 8.0540 8.7986 8.7986 9.5189 9.5189 k = 0.1875 0.1615 0.9587 ( 4782 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3849 -8.3849 -8.3787 -8.3787 -8.1371 -8.1371 -8.1258 -8.1258 -8.0548 -8.0548 -8.0388 -8.0388 -4.7494 -4.7494 -4.6379 -4.6379 0.3822 0.3822 2.0474 2.0474 2.1840 2.1840 2.5277 2.5277 3.1937 3.1937 3.3932 3.3932 3.6110 3.6110 4.3036 4.3036 4.6429 4.6429 5.7233 5.7233 7.2745 7.2745 8.0485 8.0485 8.7986 8.7986 9.4909 9.4909 k = 0.2031 0.1750 0.9587 ( 4782 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3849 -8.3849 -8.3786 -8.3786 -8.1367 -8.1367 -8.1259 -8.1259 -8.0546 -8.0546 -8.0394 -8.0394 -4.7493 -4.7493 -4.6379 -4.6379 0.3822 0.3822 2.0471 2.0471 2.1812 2.1812 2.5306 2.5306 3.1938 3.1938 3.3935 3.3935 3.6113 3.6113 4.3031 4.3031 4.6440 4.6440 5.7245 5.7245 7.2738 7.2738 8.0440 8.0440 8.7985 8.7985 9.4688 9.4688 k = 0.2188 0.1884 0.9587 ( 4786 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3849 -8.3849 -8.3785 -8.3785 -8.1364 -8.1364 -8.1260 -8.1260 -8.0545 -8.0545 -8.0398 -8.0398 -4.7493 -4.7493 -4.6379 -4.6379 0.3822 0.3822 2.0468 2.0468 2.1792 2.1792 2.5327 2.5327 3.1938 3.1938 3.3937 3.3937 3.6115 3.6115 4.3027 4.3027 4.6448 4.6448 5.7254 5.7254 7.2733 7.2733 8.0406 8.0406 8.7985 8.7985 9.4529 9.4529 k = 0.2344 0.2019 0.9587 ( 4778 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3849 -8.3849 -8.3785 -8.3785 -8.1362 -8.1362 -8.1261 -8.1261 -8.0544 -8.0544 -8.0401 -8.0401 -4.7492 -4.7492 -4.6379 -4.6379 0.3822 0.3822 2.0466 2.0466 2.1780 2.1780 2.5340 2.5340 3.1939 3.1939 3.3938 3.3938 3.6117 3.6117 4.3024 4.3024 4.6453 4.6453 5.7259 5.7259 7.2730 7.2730 8.0386 8.0386 8.7985 8.7985 9.4433 9.4433 k = 0.2500 0.2153 0.9587 ( 4780 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3849 -8.3849 -8.3784 -8.3784 -8.1361 -8.1361 -8.1261 -8.1261 -8.0543 -8.0543 -8.0402 -8.0402 -4.7492 -4.7492 -4.6379 -4.6379 0.3822 0.3822 2.0466 2.0466 2.1775 2.1775 2.5344 2.5344 3.1939 3.1939 3.3939 3.3939 3.6117 3.6117 4.3024 4.3024 4.6455 4.6455 5.7261 5.7261 7.2729 7.2729 8.0379 8.0379 8.7985 8.7985 9.4401 9.4401 k = 0.2500 0.2153 0.9587 ( 4780 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3849 -8.3849 -8.3784 -8.3784 -8.1361 -8.1361 -8.1261 -8.1261 -8.0543 -8.0543 -8.0402 -8.0402 -4.7492 -4.7492 -4.6379 -4.6379 0.3822 0.3822 2.0466 2.0466 2.1775 2.1775 2.5344 2.5344 3.1939 3.1939 3.3939 3.3939 3.6117 3.6117 4.3024 4.3024 4.6455 4.6455 5.7261 5.7261 7.2729 7.2729 8.0379 8.0379 8.7985 8.7985 9.4401 9.4401 k = 0.2375 0.2299 0.9491 ( 4782 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3849 -8.3849 -8.3784 -8.3784 -8.1361 -8.1361 -8.1261 -8.1261 -8.0544 -8.0544 -8.0402 -8.0402 -4.7496 -4.7496 -4.6374 -4.6374 0.3819 0.3819 2.0473 2.0473 2.1782 2.1782 2.5348 2.5348 3.1901 3.1901 3.3950 3.3950 3.6121 3.6121 4.3024 4.3024 4.6455 4.6455 5.7259 5.7259 7.2781 7.2781 8.0360 8.0360 8.7860 8.7860 9.4441 9.4441 k = 0.2250 0.2444 0.9396 ( 4780 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3849 -8.3849 -8.3784 -8.3784 -8.1361 -8.1361 -8.1261 -8.1261 -8.0544 -8.0544 -8.0402 -8.0402 -4.7507 -4.7507 -4.6362 -4.6362 0.3809 0.3809 2.0495 2.0495 2.1800 2.1800 2.5360 2.5360 3.1790 3.1790 3.3982 3.3982 3.6131 3.6131 4.3026 4.3026 4.6454 4.6454 5.7252 5.7252 7.2935 7.2935 8.0302 8.0302 8.7508 8.7508 9.4561 9.4561 k = 0.2125 0.2589 0.9300 ( 4778 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3848 -8.3848 -8.3784 -8.3784 -8.1361 -8.1361 -8.1261 -8.1261 -8.0546 -8.0546 -8.0402 -8.0402 -4.7525 -4.7525 -4.6342 -4.6342 0.3794 0.3794 2.0533 2.0533 2.1830 2.1830 2.5380 2.5380 3.1615 3.1615 3.4028 3.4028 3.6147 3.6147 4.3030 4.3030 4.6453 4.6453 5.7242 5.7242 7.3188 7.3188 8.0210 8.0210 8.6977 8.6977 9.4765 9.4765 k = 0.2000 0.2734 0.9204 ( 4784 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3848 -8.3848 -8.3784 -8.3784 -8.1360 -8.1360 -8.1261 -8.1261 -8.0548 -8.0548 -8.0402 -8.0402 -4.7548 -4.7548 -4.6316 -4.6316 0.3773 0.3773 2.0584 2.0584 2.1871 2.1871 2.5408 2.5408 3.1388 3.1388 3.4080 3.4080 3.6168 3.6168 4.3034 4.3034 4.6452 4.6452 5.7227 5.7227 7.3537 7.3537 8.0089 8.0089 8.6324 8.6324 9.5048 9.5048 k = 0.1875 0.2879 0.9109 ( 4786 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3846 -8.3846 -8.3783 -8.3783 -8.1360 -8.1360 -8.1261 -8.1261 -8.0550 -8.0550 -8.0403 -8.0403 -4.7576 -4.7576 -4.6285 -4.6285 0.3747 0.3747 2.0649 2.0649 2.1923 2.1923 2.5441 2.5441 3.1119 3.1119 3.4132 3.4132 3.6193 3.6193 4.3040 4.3040 4.6451 4.6451 5.7208 5.7208 7.3974 7.3974 7.9946 7.9946 8.5599 8.5599 9.5407 9.5407 k = 0.1750 0.3024 0.9013 ( 4786 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3845 -8.3845 -8.3783 -8.3783 -8.1359 -8.1359 -8.1261 -8.1261 -8.0553 -8.0553 -8.0403 -8.0403 -4.7606 -4.7606 -4.6250 -4.6250 0.3717 0.3717 2.0726 2.0726 2.1985 2.1985 2.5481 2.5481 3.0817 3.0817 3.4182 3.4182 3.6219 3.6219 4.3046 4.3046 4.6450 4.6450 5.7186 5.7186 7.4492 7.4492 7.9789 7.9789 8.4839 8.4839 9.5832 9.5832 k = 0.1625 0.3169 0.8918 ( 4792 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3844 -8.3844 -8.3782 -8.3782 -8.1357 -8.1357 -8.1261 -8.1261 -8.0556 -8.0556 -8.0404 -8.0404 -4.7639 -4.7639 -4.6213 -4.6213 0.3684 0.3684 2.0815 2.0815 2.2057 2.2057 2.5525 2.5525 3.0489 3.0489 3.4226 3.4226 3.6247 3.6247 4.3054 4.3054 4.6449 4.6449 5.7162 5.7162 7.5077 7.5077 7.9630 7.9630 8.4069 8.4069 9.6316 9.6316 k = 0.1500 0.3314 0.8822 ( 4794 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3842 -8.3842 -8.3781 -8.3781 -8.1356 -8.1356 -8.1261 -8.1261 -8.0559 -8.0559 -8.0405 -8.0405 -4.7672 -4.7672 -4.6174 -4.6174 0.3648 0.3648 2.0914 2.0914 2.2139 2.2139 2.5571 2.5571 3.0144 3.0144 3.4266 3.4266 3.6274 3.6274 4.3061 4.3061 4.6450 4.6450 5.7135 5.7135 7.5714 7.5714 7.9482 7.9482 8.3311 8.3311 9.6849 9.6849 k = 0.1375 0.3459 0.8726 ( 4794 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3841 -8.3841 -8.3781 -8.3781 -8.1354 -8.1354 -8.1261 -8.1261 -8.0562 -8.0562 -8.0406 -8.0406 -4.7706 -4.7706 -4.6135 -4.6135 0.3610 0.3610 2.1020 2.1020 2.2233 2.2233 2.5616 2.5616 2.9787 2.9787 3.4299 3.4299 3.6300 3.6300 4.3070 4.3070 4.6451 4.6451 5.7106 5.7106 7.6373 7.6373 7.9369 7.9369 8.2578 8.2578 9.7423 9.7423 k = 0.1250 0.3605 0.8631 ( 4796 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3839 -8.3839 -8.3780 -8.3780 -8.1353 -8.1353 -8.1262 -8.1262 -8.0565 -8.0565 -8.0407 -8.0407 -4.7739 -4.7739 -4.6097 -4.6097 0.3572 0.3572 2.1130 2.1130 2.2338 2.2338 2.5658 2.5658 2.9426 2.9426 3.4328 3.4328 3.6324 3.6324 4.3078 4.3078 4.6452 4.6452 5.7076 5.7076 7.7004 7.7004 7.9335 7.9335 8.1883 8.1883 9.8028 9.8028 k = 0.1125 0.3750 0.8535 ( 4802 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3837 -8.3837 -8.3780 -8.3780 -8.1351 -8.1351 -8.1263 -8.1263 -8.0568 -8.0568 -8.0408 -8.0408 -4.7770 -4.7770 -4.6060 -4.6060 0.3534 0.3534 2.1241 2.1241 2.2457 2.2457 2.5690 2.5690 2.9068 2.9068 3.4352 3.4352 3.6346 3.6346 4.3086 4.3086 4.6455 4.6455 5.7046 5.7046 7.7506 7.7506 7.9468 7.9468 8.1235 8.1235 9.8655 9.8655 k = 0.1000 0.3895 0.8440 ( 4802 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3835 -8.3835 -8.3779 -8.3779 -8.1348 -8.1348 -8.1264 -8.1264 -8.0571 -8.0571 -8.0409 -8.0409 -4.7799 -4.7799 -4.6026 -4.6026 0.3498 0.3498 2.1348 2.1348 2.2593 2.2593 2.5709 2.5709 2.8723 2.8723 3.4372 3.4372 3.6365 3.6365 4.3094 4.3094 4.6458 4.6458 5.7016 5.7016 7.7777 7.7777 7.9846 7.9846 8.0657 8.0657 9.9295 9.9295 k = 0.0875 0.4040 0.8344 ( 4798 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3834 -8.3834 -8.3778 -8.3778 -8.1346 -8.1346 -8.1265 -8.1265 -8.0574 -8.0574 -8.0410 -8.0410 -4.7826 -4.7826 -4.5994 -4.5994 0.3463 0.3463 2.1447 2.1447 2.2747 2.2747 2.5704 2.5704 2.8400 2.8400 3.4388 3.4388 3.6382 3.6382 4.3102 4.3102 4.6462 4.6462 5.6987 5.6987 7.7847 7.7847 8.0006 8.0006 8.0569 8.0569 9.9936 9.9936 k = 0.0750 0.4185 0.8248 ( 4792 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3832 -8.3832 -8.3778 -8.3778 -8.1344 -8.1344 -8.1266 -8.1266 -8.0576 -8.0576 -8.0411 -8.0411 -4.7850 -4.7850 -4.5965 -4.5965 0.3431 0.3431 2.1536 2.1536 2.2921 2.2921 2.5669 2.5669 2.8110 2.8110 3.4401 3.4401 3.6396 3.6396 4.3109 4.3109 4.6466 4.6466 5.6961 5.6961 7.7822 7.7822 7.9568 7.9568 8.1234 8.1234 10.0568 10.0568 k = 0.0625 0.4330 0.8153 ( 4790 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3831 -8.3831 -8.3778 -8.3778 -8.1341 -8.1341 -8.1267 -8.1267 -8.0578 -8.0578 -8.0412 -8.0412 -4.7871 -4.7871 -4.5940 -4.5940 0.3403 0.3403 2.1612 2.1612 2.3113 2.3113 2.5594 2.5594 2.7865 2.7865 3.4412 3.4412 3.6407 3.6407 4.3115 4.3115 4.6469 4.6469 5.6937 5.6937 7.7765 7.7765 7.9158 7.9158 8.1943 8.1943 10.1175 10.1175 k = 0.0500 0.4475 0.8057 ( 4790 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3830 -8.3830 -8.3777 -8.3777 -8.1339 -8.1339 -8.1269 -8.1269 -8.0580 -8.0580 -8.0413 -8.0413 -4.7888 -4.7888 -4.5919 -4.5919 0.3379 0.3379 2.1674 2.1674 2.3321 2.3321 2.5475 2.5475 2.7673 2.7673 3.4420 3.4420 3.6416 3.6416 4.3121 4.3121 4.6473 4.6473 5.6916 5.6916 7.7703 7.7703 7.8812 7.8812 8.2607 8.2607 10.1742 10.1742 k = 0.0375 0.4620 0.7962 ( 4794 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3829 -8.3829 -8.3777 -8.3777 -8.1337 -8.1337 -8.1270 -8.1270 -8.0582 -8.0582 -8.0413 -8.0413 -4.7902 -4.7902 -4.5903 -4.5903 0.3360 0.3360 2.1721 2.1721 2.3538 2.3538 2.5317 2.5317 2.7535 2.7535 3.4426 3.4426 3.6424 3.6424 4.3125 4.3125 4.6476 4.6476 5.6899 5.6899 7.7651 7.7651 7.8536 7.8536 8.3181 8.3181 10.2247 10.2247 k = 0.0250 0.4766 0.7866 ( 4792 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3828 -8.3828 -8.3777 -8.3777 -8.1336 -8.1336 -8.1271 -8.1271 -8.0583 -8.0583 -8.0414 -8.0414 -4.7911 -4.7911 -4.5891 -4.5891 0.3346 0.3346 2.1755 2.1755 2.3749 2.3749 2.5138 2.5138 2.7445 2.7445 3.4430 3.4430 3.6428 3.6428 4.3128 4.3128 4.6478 4.6478 5.6887 5.6887 7.7615 7.7615 7.8333 7.8333 8.3624 8.3624 10.2661 10.2661 k = 0.0125 0.4911 0.7770 ( 4788 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3827 -8.3827 -8.3777 -8.3777 -8.1335 -8.1335 -8.1272 -8.1272 -8.0583 -8.0583 -8.0414 -8.0414 -4.7917 -4.7917 -4.5883 -4.5883 0.3337 0.3337 2.1774 2.1774 2.3925 2.3925 2.4978 2.4978 2.7396 2.7396 3.4433 3.4433 3.6431 3.6431 4.3130 4.3130 4.6479 4.6479 5.6880 5.6880 7.7594 7.7594 7.8208 7.8208 8.3906 8.3906 10.2942 10.2942 k = 0.0000 0.5056 0.7675 ( 4794 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3827 -8.3827 -8.3777 -8.3777 -8.1334 -8.1334 -8.1272 -8.1272 -8.0583 -8.0583 -8.0414 -8.0414 -4.7919 -4.7919 -4.5881 -4.5881 0.3334 0.3334 2.1781 2.1781 2.4001 2.4001 2.4907 2.4907 2.7381 2.7381 3.4433 3.4433 3.6432 3.6432 4.3130 4.3130 4.6480 4.6480 5.6877 5.6877 7.7587 7.7587 7.8166 7.8166 8.4002 8.4002 10.3044 10.3044 k = 0.0000 0.5056 0.7675 ( 4794 PWs) bands (ev): -24.6269 -24.6269 -24.6235 -24.6235 -8.3827 -8.3827 -8.3777 -8.3777 -8.1334 -8.1334 -8.1272 -8.1272 -8.0583 -8.0583 -8.0414 -8.0414 -4.7919 -4.7919 -4.5881 -4.5881 0.3334 0.3334 2.1781 2.1781 2.4001 2.4001 2.4907 2.4907 2.7381 2.7381 3.4433 3.4433 3.6432 3.6432 4.3130 4.3130 4.6480 4.6480 5.6877 5.6877 7.7587 7.7587 7.8166 7.8166 8.4002 8.4002 10.3044 10.3044 k = 0.0169 0.5157 0.7608 ( 4792 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3828 -8.3828 -8.3776 -8.3776 -8.1336 -8.1336 -8.1271 -8.1271 -8.0583 -8.0583 -8.0414 -8.0414 -4.7921 -4.7921 -4.5880 -4.5880 0.3340 0.3340 2.1777 2.1777 2.3970 2.3970 2.4910 2.4910 2.7405 2.7405 3.4435 3.4435 3.6439 3.6439 4.3129 4.3129 4.6484 4.6484 5.6859 5.6859 7.7614 7.7614 7.8171 7.8171 8.3995 8.3995 10.3039 10.3039 k = 0.0338 0.5259 0.7541 ( 4786 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3829 -8.3829 -8.3774 -8.3774 -8.1340 -8.1340 -8.1269 -8.1269 -8.0582 -8.0582 -8.0413 -8.0413 -4.7925 -4.7925 -4.5879 -4.5879 0.3357 0.3357 2.1765 2.1765 2.3882 2.3882 2.4914 2.4914 2.7476 2.7476 3.4438 3.4438 3.6458 3.6458 4.3126 4.3126 4.6497 4.6497 5.6804 5.6804 7.7691 7.7691 7.8189 7.8189 8.3973 8.3973 10.3027 10.3027 k = 0.0506 0.5360 0.7474 ( 4785 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3832 -8.3832 -8.3771 -8.3771 -8.1346 -8.1346 -8.1266 -8.1266 -8.0581 -8.0581 -8.0412 -8.0412 -4.7932 -4.7932 -4.5877 -4.5877 0.3385 0.3385 2.1744 2.1744 2.3754 2.3754 2.4909 2.4909 2.7591 2.7591 3.4443 3.4443 3.6491 3.6491 4.3120 4.3120 4.6517 4.6517 5.6716 5.6716 7.7805 7.7805 7.8232 7.8232 8.3936 8.3936 10.3007 10.3007 k = 0.0675 0.5461 0.7408 ( 4785 PWs) bands (ev): -24.6268 -24.6268 -24.6236 -24.6236 -8.3834 -8.3834 -8.3768 -8.3768 -8.1354 -8.1354 -8.1263 -8.1263 -8.0579 -8.0579 -8.0410 -8.0410 -4.7941 -4.7941 -4.5874 -4.5874 0.3424 0.3424 2.1714 2.1714 2.3598 2.3598 2.4885 2.4885 2.7745 2.7745 3.4449 3.4449 3.6536 3.6536 4.3112 4.3112 4.6546 4.6546 5.6595 5.6595 7.7925 7.7925 7.8326 7.8326 8.3886 8.3886 10.2981 10.2981 k = 0.0844 0.5563 0.7341 ( 4782 PWs) bands (ev): -24.6268 -24.6268 -24.6236 -24.6236 -8.3837 -8.3837 -8.3764 -8.3764 -8.1362 -8.1362 -8.1260 -8.1260 -8.0577 -8.0577 -8.0408 -8.0408 -4.7954 -4.7954 -4.5870 -4.5870 0.3474 0.3474 2.1675 2.1675 2.3427 2.3427 2.4840 2.4840 2.7931 2.7931 3.4457 3.4457 3.6594 3.6594 4.3102 4.3102 4.6583 4.6583 5.6446 5.6446 7.8012 7.8012 7.8505 7.8505 8.3823 8.3823 10.2950 10.2950 k = 0.1013 0.5664 0.7274 ( 4790 PWs) bands (ev): -24.6268 -24.6268 -24.6237 -24.6237 -8.3840 -8.3840 -8.3759 -8.3759 -8.1371 -8.1371 -8.1257 -8.1257 -8.0575 -8.0575 -8.0405 -8.0405 -4.7970 -4.7970 -4.5865 -4.5865 0.3535 0.3535 2.1624 2.1624 2.3250 2.3250 2.4772 2.4772 2.8144 2.8144 3.4466 3.4466 3.6664 3.6664 4.3089 4.3089 4.6628 4.6628 5.6273 5.6273 7.8066 7.8066 7.8764 7.8764 8.3747 8.3747 10.2914 10.2914 k = 0.1182 0.5766 0.7207 ( 4790 PWs) bands (ev): -24.6268 -24.6268 -24.6237 -24.6237 -8.3843 -8.3843 -8.3755 -8.3755 -8.1381 -8.1381 -8.1255 -8.1255 -8.0572 -8.0572 -8.0403 -8.0403 -4.7989 -4.7989 -4.5860 -4.5860 0.3607 0.3607 2.1560 2.1560 2.3073 2.3073 2.4683 2.4683 2.8378 2.8378 3.4475 3.4475 3.6746 3.6746 4.3073 4.3073 4.6682 4.6682 5.6079 5.6079 7.8107 7.8107 7.9074 7.9074 8.3661 8.3661 10.2874 10.2874 k = 0.1351 0.5867 0.7140 ( 4784 PWs) bands (ev): -24.6268 -24.6268 -24.6238 -24.6238 -8.3846 -8.3846 -8.3750 -8.3750 -8.1390 -8.1390 -8.1253 -8.1253 -8.0569 -8.0569 -8.0400 -8.0400 -4.8011 -4.8011 -4.5854 -4.5854 0.3689 0.3689 2.1482 2.1482 2.2902 2.2902 2.4575 2.4575 2.8628 2.8628 3.4485 3.4485 3.6839 3.6839 4.3054 4.3054 4.6743 4.6743 5.5869 5.5869 7.8146 7.8146 7.9418 7.9418 8.3565 8.3565 10.2831 10.2831 k = 0.1519 0.5968 0.7074 ( 4789 PWs) bands (ev): -24.6268 -24.6268 -24.6239 -24.6239 -8.3848 -8.3848 -8.3745 -8.3745 -8.1399 -8.1399 -8.1251 -8.1251 -8.0566 -8.0566 -8.0398 -8.0398 -4.8037 -4.8037 -4.5848 -4.5848 0.3782 0.3782 2.1387 2.1387 2.2742 2.2742 2.4452 2.4452 2.8889 2.8889 3.4495 3.4495 3.6943 3.6943 4.3031 4.3031 4.6813 4.6813 5.5647 5.5647 7.8188 7.8188 7.9779 7.9779 8.3464 8.3464 10.2784 10.2784 k = 0.1688 0.6070 0.7007 ( 4789 PWs) bands (ev): -24.6268 -24.6268 -24.6240 -24.6240 -8.3850 -8.3850 -8.3740 -8.3740 -8.1407 -8.1407 -8.1250 -8.1250 -8.0563 -8.0563 -8.0396 -8.0396 -4.8066 -4.8066 -4.5841 -4.5841 0.3885 0.3885 2.1275 2.1275 2.2596 2.2596 2.4314 2.4314 2.9159 2.9159 3.4505 3.4505 3.7058 3.7058 4.3005 4.3005 4.6890 4.6890 5.5417 5.5417 7.8238 7.8238 8.0145 8.0145 8.3359 8.3359 10.2731 10.2731 k = 0.1857 0.6171 0.6940 ( 4795 PWs) bands (ev): -24.6269 -24.6269 -24.6241 -24.6241 -8.3851 -8.3851 -8.3735 -8.3735 -8.1415 -8.1415 -8.1249 -8.1249 -8.0559 -8.0559 -8.0394 -8.0394 -4.8100 -4.8100 -4.5834 -4.5834 0.3999 0.3999 2.1144 2.1144 2.2465 2.2465 2.4166 2.4166 2.9435 2.9435 3.4515 3.4515 3.7182 3.7182 4.2975 4.2975 4.6975 4.6975 5.5183 5.5183 7.8296 7.8296 8.0501 8.0501 8.3256 8.3256 10.2671 10.2671 k = 0.2026 0.6273 0.6873 ( 4802 PWs) bands (ev): -24.6269 -24.6269 -24.6242 -24.6242 -8.3852 -8.3852 -8.3730 -8.3730 -8.1422 -8.1422 -8.1248 -8.1248 -8.0556 -8.0556 -8.0393 -8.0393 -4.8137 -4.8137 -4.5827 -4.5827 0.4122 0.4122 2.0997 2.0997 2.2348 2.2348 2.4010 2.4010 2.9713 2.9713 3.4526 3.4526 3.7315 3.7315 4.2941 4.2941 4.7068 4.7068 5.4947 5.4947 7.8365 7.8365 8.0831 8.0831 8.3164 8.3164 10.2601 10.2601 k = 0.2195 0.6374 0.6806 ( 4802 PWs) bands (ev): -24.6269 -24.6269 -24.6243 -24.6243 -8.3852 -8.3852 -8.3724 -8.3724 -8.1428 -8.1428 -8.1247 -8.1247 -8.0553 -8.0553 -8.0392 -8.0392 -4.8179 -4.8179 -4.5820 -4.5820 0.4255 0.4255 2.0836 2.0836 2.2244 2.2244 2.3850 2.3850 2.9991 2.9991 3.4537 3.4537 3.7456 3.7456 4.2902 4.2902 4.7168 4.7168 5.4714 5.4714 7.8445 7.8445 8.1114 8.1114 8.3093 8.3093 10.2517 10.2517 k = 0.2363 0.6476 0.6740 ( 4811 PWs) bands (ev): -24.6269 -24.6269 -24.6244 -24.6244 -8.3851 -8.3851 -8.3719 -8.3719 -8.1433 -8.1433 -8.1247 -8.1247 -8.0550 -8.0550 -8.0393 -8.0393 -4.8226 -4.8226 -4.5812 -4.5812 0.4398 0.4398 2.0663 2.0663 2.2149 2.2149 2.3688 2.3688 3.0267 3.0267 3.4551 3.4551 3.7606 3.7606 4.2859 4.2859 4.7276 4.7276 5.4486 5.4486 7.8537 7.8537 8.1329 8.1329 8.3061 8.3061 10.2417 10.2417 k = 0.2532 0.6577 0.6673 ( 4811 PWs) bands (ev): -24.6270 -24.6270 -24.6245 -24.6245 -8.3850 -8.3850 -8.3714 -8.3714 -8.1437 -8.1437 -8.1246 -8.1246 -8.0547 -8.0547 -8.0394 -8.0394 -4.8278 -4.8278 -4.5805 -4.5805 0.4550 0.4550 2.0482 2.0482 2.2057 2.2057 2.3530 2.3530 3.0539 3.0539 3.4567 3.4567 3.7762 3.7762 4.2812 4.2812 4.7390 4.7390 5.4264 5.4264 7.8641 7.8641 8.1456 8.1456 8.3080 8.3080 10.2301 10.2301 k = 0.2701 0.6678 0.6606 ( 4810 PWs) bands (ev): -24.6270 -24.6270 -24.6246 -24.6246 -8.3848 -8.3848 -8.3708 -8.3708 -8.1440 -8.1440 -8.1245 -8.1245 -8.0544 -8.0544 -8.0396 -8.0396 -4.8335 -4.8335 -4.5798 -4.5798 0.4711 0.4711 2.0295 2.0295 2.1965 2.1965 2.3379 2.3379 3.0804 3.0804 3.4587 3.4587 3.7926 3.7926 4.2759 4.2759 4.7512 4.7512 5.4052 5.4052 7.8759 7.8759 8.1491 8.1491 8.3149 8.3149 10.2172 10.2172 k = 0.2870 0.6780 0.6539 ( 4812 PWs) bands (ev): -24.6270 -24.6270 -24.6247 -24.6247 -8.3845 -8.3845 -8.3703 -8.3703 -8.1441 -8.1441 -8.1244 -8.1244 -8.0542 -8.0542 -8.0399 -8.0399 -4.8397 -4.8397 -4.5792 -4.5792 0.4881 0.4881 2.0103 2.0103 2.1868 2.1868 2.3240 2.3240 3.1060 3.1060 3.4613 3.4613 3.8096 3.8096 4.2702 4.2702 4.7640 4.7640 5.3850 5.3850 7.8889 7.8889 8.1451 8.1451 8.3250 8.3250 10.2035 10.2035 k = 0.2870 0.6780 0.6539 ( 4812 PWs) bands (ev): -24.6270 -24.6270 -24.6247 -24.6247 -8.3845 -8.3845 -8.3703 -8.3703 -8.1441 -8.1441 -8.1244 -8.1244 -8.0542 -8.0542 -8.0399 -8.0399 -4.8397 -4.8397 -4.5792 -4.5792 0.4881 0.4881 2.0103 2.0103 2.1868 2.1868 2.3240 2.3240 3.1060 3.1060 3.4613 3.4613 3.8096 3.8096 4.2702 4.2702 4.7640 4.7640 5.3850 5.3850 7.8889 7.8889 8.1451 8.1451 8.3250 8.3250 10.2035 10.2035 k = 0.2933 0.6707 0.6347 ( 4808 PWs) bands (ev): -24.6272 -24.6272 -24.6251 -24.6251 -8.3833 -8.3833 -8.3686 -8.3686 -8.1443 -8.1443 -8.1239 -8.1239 -8.0535 -8.0535 -8.0408 -8.0408 -4.8601 -4.8601 -4.5773 -4.5773 0.5422 0.5422 1.9539 1.9539 2.1516 2.1516 2.2928 2.2928 3.1725 3.1725 3.4746 3.4746 3.8614 3.8614 4.2527 4.2527 4.8035 4.8035 5.3278 5.3278 7.9318 7.9318 8.1113 8.1113 8.3694 8.3694 10.1644 10.1644 k = 0.2995 0.6634 0.6155 ( 4800 PWs) bands (ev): -24.6274 -24.6274 -24.6254 -24.6254 -8.3820 -8.3820 -8.3667 -8.3667 -8.1442 -8.1442 -8.1232 -8.1232 -8.0529 -8.0529 -8.0417 -8.0417 -4.8834 -4.8834 -4.5754 -4.5754 0.6036 0.6036 1.8966 1.8966 2.1039 2.1039 2.2752 2.2752 3.2224 3.2224 3.5024 3.5024 3.9168 3.9168 4.2352 4.2352 4.8455 4.8455 5.2695 5.2695 7.9815 7.9815 8.0607 8.0607 8.4306 8.4306 10.1273 10.1274 k = 0.3058 0.6562 0.5962 ( 4796 PWs) bands (ev): -24.6276 -24.6276 -24.6258 -24.6258 -8.3806 -8.3806 -8.3648 -8.3648 -8.1440 -8.1440 -8.1223 -8.1223 -8.0524 -8.0524 -8.0426 -8.0426 -4.9093 -4.9093 -4.5734 -4.5734 0.6717 0.6717 1.8395 1.8395 2.0478 2.0478 2.2677 2.2677 3.2499 3.2499 3.5495 3.5495 3.9751 3.9751 4.2186 4.2186 4.8887 4.8887 5.2112 5.2112 8.0015 8.0015 8.0381 8.0381 8.5004 8.5004 10.0922 10.0922 k = 0.3121 0.6489 0.5770 ( 4796 PWs) bands (ev): -24.6279 -24.6279 -24.6262 -24.6262 -8.3791 -8.3791 -8.3627 -8.3627 -8.1437 -8.1437 -8.1212 -8.1212 -8.0519 -8.0519 -8.0434 -8.0434 -4.9376 -4.9376 -4.5714 -4.5714 0.7461 0.7461 1.7830 1.7830 1.9881 1.9881 2.2662 2.2662 3.2576 3.2576 3.6120 3.6120 4.0360 4.0360 4.2039 4.2039 4.9312 4.9312 5.1548 5.1548 7.9377 7.9377 8.1014 8.1014 8.5757 8.5757 10.0588 10.0588 k = 0.3183 0.6416 0.5578 ( 4806 PWs) bands (ev): -24.6282 -24.6282 -24.6267 -24.6267 -8.3774 -8.3774 -8.3607 -8.3607 -8.1431 -8.1431 -8.1200 -8.1200 -8.0516 -8.0516 -8.0440 -8.0440 -4.9679 -4.9679 -4.5694 -4.5694 0.8261 0.8261 1.7271 1.7271 1.9281 1.9281 2.2683 2.2683 3.2521 3.2521 3.6812 3.6812 4.0991 4.0991 4.1926 4.1926 4.9677 4.9677 5.1057 5.1057 7.8709 7.8709 8.1714 8.1714 8.6550 8.6550 10.0269 10.0269 k = 0.3246 0.6343 0.5385 ( 4802 PWs) bands (ev): -24.6285 -24.6285 -24.6272 -24.6272 -8.3758 -8.3758 -8.3586 -8.3586 -8.1424 -8.1424 -8.1185 -8.1185 -8.0514 -8.0514 -8.0444 -8.0444 -4.9999 -4.9999 -4.5673 -4.5673 0.9109 0.9109 1.6715 1.6715 1.8702 1.8702 2.2729 2.2729 3.2387 3.2387 3.7492 3.7492 4.1574 4.1574 4.1940 4.1940 4.9773 4.9773 5.0848 5.0848 7.8027 7.8027 8.2482 8.2482 8.7373 8.7373 9.9966 9.9966 k = 0.3308 0.6271 0.5193 ( 4798 PWs) bands (ev): -24.6288 -24.6288 -24.6276 -24.6276 -8.3742 -8.3742 -8.3565 -8.3565 -8.1414 -8.1414 -8.1169 -8.1169 -8.0514 -8.0514 -8.0446 -8.0446 -5.0333 -5.0333 -4.5652 -4.5652 0.9992 0.9992 1.6162 1.6162 1.8163 1.8163 2.2793 2.2793 3.2206 3.2206 3.8095 3.8095 4.1718 4.1718 4.2497 4.2497 4.9438 4.9438 5.1087 5.1087 7.7341 7.7341 8.3314 8.3314 8.8222 8.8222 9.9677 9.9677 k = 0.3371 0.6198 0.5001 ( 4792 PWs) bands (ev): -24.6292 -24.6292 -24.6281 -24.6281 -8.3726 -8.3726 -8.3545 -8.3545 -8.1402 -8.1402 -8.1151 -8.1151 -8.0515 -8.0515 -8.0444 -8.0444 -5.0677 -5.0677 -4.5631 -4.5631 1.0895 1.0895 1.5611 1.5611 1.7683 1.7683 2.2872 2.2872 3.1996 3.1996 3.8570 3.8570 4.1777 4.1777 4.3271 4.3271 4.8950 4.8950 5.1496 5.1496 7.6662 7.6662 8.4210 8.4210 8.9090 8.9090 9.9401 9.9401 k = 0.3434 0.6125 0.4808 ( 4788 PWs) bands (ev): -24.6295 -24.6295 -24.6287 -24.6287 -8.3711 -8.3711 -8.3526 -8.3526 -8.1389 -8.1389 -8.1132 -8.1132 -8.0517 -8.0517 -8.0439 -8.0439 -5.1028 -5.1028 -4.5610 -4.5610 1.1782 1.1782 1.5074 1.5074 1.7285 1.7285 2.2963 2.2963 3.1766 3.1766 3.8885 3.8885 4.1912 4.1912 4.4113 4.4113 4.8445 4.8445 5.1946 5.1946 7.6001 7.6001 8.5167 8.5167 8.9973 8.9973 9.9138 9.9138 k = 0.3496 0.6052 0.4616 ( 4792 PWs) bands (ev): -24.6299 -24.6299 -24.6292 -24.6292 -8.3697 -8.3697 -8.3508 -8.3508 -8.1373 -8.1373 -8.1111 -8.1111 -8.0520 -8.0520 -8.0432 -8.0432 -5.1384 -5.1384 -4.5589 -4.5589 1.2576 1.2576 1.4588 1.4588 1.7007 1.7007 2.3065 2.3065 3.1526 3.1526 3.9041 3.9041 4.2126 4.2126 4.4998 4.4998 4.7962 4.7962 5.2406 5.2406 7.5369 7.5369 8.6181 8.6181 9.0868 9.0868 9.8886 9.8886 k = 0.3559 0.5980 0.4424 ( 4792 PWs) bands (ev): -24.6304 -24.6304 -24.6298 -24.6298 -8.3684 -8.3684 -8.3492 -8.3492 -8.1355 -8.1355 -8.1090 -8.1090 -8.0522 -8.0522 -8.0422 -8.0422 -5.1743 -5.1743 -4.5569 -4.5569 1.3037 1.3037 1.4311 1.4311 1.6927 1.6927 2.3177 2.3177 3.1280 3.1280 3.9066 3.9066 4.2396 4.2396 4.5874 4.5874 4.7548 4.7548 5.2867 5.2867 7.4776 7.4776 8.7249 8.7249 9.1771 9.1771 9.8646 9.8646 k = 0.3622 0.5907 0.4231 ( 4796 PWs) bands (ev): -24.6308 -24.6308 -24.6304 -24.6304 -8.3673 -8.3673 -8.3477 -8.3477 -8.1335 -8.1335 -8.1069 -8.1069 -8.0522 -8.0522 -8.0410 -8.0410 -5.2101 -5.2101 -4.5549 -4.5549 1.2882 1.2882 1.4396 1.4396 1.7171 1.7171 2.3296 2.3296 3.1034 3.1034 3.8998 3.8998 4.2689 4.2689 4.6485 4.6485 4.7446 4.7446 5.3323 5.3323 7.4235 7.4235 8.8367 8.8367 9.2676 9.2676 9.8416 9.8416 k = 0.3684 0.5834 0.4039 ( 4802 PWs) bands (ev): -24.6313 -24.6313 -24.6309 -24.6309 -8.3664 -8.3664 -8.3464 -8.3464 -8.1315 -8.1315 -8.1048 -8.1048 -8.0521 -8.0521 -8.0396 -8.0396 -5.2456 -5.2456 -4.5529 -4.5529 1.2428 1.2428 1.4472 1.4472 1.7788 1.7788 2.3422 2.3422 3.0792 3.0792 3.8866 3.8866 4.2982 4.2982 4.6376 4.6376 4.8103 4.8103 5.3773 5.3773 7.3760 7.3760 8.9527 8.9527 9.3580 9.3580 9.8198 9.8198 k = 0.3747 0.5761 0.3847 ( 4802 PWs) bands (ev): -24.6317 -24.6317 -24.6315 -24.6315 -8.3657 -8.3657 -8.3453 -8.3453 -8.1293 -8.1293 -8.1028 -8.1028 -8.0517 -8.0517 -8.0379 -8.0379 -5.2806 -5.2806 -4.5510 -4.5510 1.1910 1.1910 1.4413 1.4413 1.8662 1.8662 2.3556 2.3556 3.0559 3.0559 3.8690 3.8690 4.3257 4.3257 4.6066 4.6066 4.8983 4.8983 5.4214 5.4214 7.3366 7.3366 9.0723 9.0723 9.4477 9.4477 9.7990 9.7990 k = 0.3810 0.5689 0.3654 ( 4808 PWs) bands (ev): -24.6321 -24.6321 -24.6321 -24.6321 -8.3651 -8.3651 -8.3443 -8.3443 -8.1271 -8.1271 -8.1009 -8.1009 -8.0510 -8.0510 -8.0361 -8.0361 -5.3150 -5.3150 -4.5492 -4.5492 1.1383 1.1383 1.4284 1.4284 1.9664 1.9664 2.3694 2.3694 3.0338 3.0338 3.8482 3.8482 4.3497 4.3497 4.5772 4.5772 4.9866 4.9866 5.4644 5.4644 7.3067 7.3067 9.1946 9.1946 9.5360 9.5360 9.7792 9.7792 k = 0.3872 0.5616 0.3462 ( 4808 PWs) bands (ev): -24.6327 -24.6327 -24.6326 -24.6326 -8.3648 -8.3648 -8.3436 -8.3436 -8.1248 -8.1248 -8.0993 -8.0993 -8.0500 -8.0500 -8.0340 -8.0340 -5.3485 -5.3485 -4.5474 -4.5474 1.0864 1.0864 1.4133 1.4133 2.0720 2.0720 2.3839 2.3839 3.0137 3.0137 3.8250 3.8250 4.3684 4.3684 4.5542 4.5542 5.0704 5.0704 5.5060 5.5060 7.2882 7.2882 9.3181 9.3181 9.6218 9.6218 9.7605 9.7605 k = 0.3935 0.5543 0.3270 ( 4808 PWs) bands (ev): -24.6332 -24.6332 -24.6330 -24.6330 -8.3646 -8.3646 -8.3429 -8.3429 -8.1226 -8.1226 -8.0979 -8.0979 -8.0486 -8.0486 -8.0317 -8.0317 -5.3809 -5.3809 -4.5457 -4.5457 1.0361 1.0361 1.3980 1.3980 2.1785 2.1785 2.3990 2.3990 2.9963 2.9963 3.8001 3.8001 4.3791 4.3791 4.5407 4.5407 5.1477 5.1477 5.5460 5.5460 7.2825 7.2825 9.4407 9.4407 9.7032 9.7032 9.7431 9.7431 k = 0.3998 0.5471 0.3077 ( 4820 PWs) bands (ev): -24.6338 -24.6338 -24.6335 -24.6335 -8.3646 -8.3646 -8.3425 -8.3425 -8.1204 -8.1204 -8.0968 -8.0968 -8.0469 -8.0469 -8.0292 -8.0292 -5.4122 -5.4122 -4.5441 -4.5441 0.9877 0.9877 1.3835 1.3835 2.2822 2.2822 2.4151 2.4151 2.9828 2.9828 3.7740 3.7740 4.3801 4.3801 4.5387 4.5387 5.2170 5.2170 5.5839 5.5839 7.2912 7.2912 9.5586 9.5586 9.7258 9.7258 9.7788 9.7788 k = 0.4060 0.5398 0.2885 ( 4816 PWs) bands (ev): -24.6343 -24.6343 -24.6339 -24.6339 -8.3648 -8.3648 -8.3421 -8.3421 -8.1184 -8.1184 -8.0959 -8.0959 -8.0449 -8.0449 -8.0266 -8.0266 -5.4421 -5.4421 -4.5426 -4.5426 0.9415 0.9415 1.3703 1.3703 2.3766 2.3766 2.4357 2.4357 2.9749 2.9749 3.7471 3.7471 4.3727 4.3727 4.5471 4.5471 5.2775 5.2775 5.6191 5.6191 7.3152 7.3152 9.6632 9.6632 9.7120 9.7120 9.8398 9.8398 k = 0.4123 0.5325 0.2693 ( 4820 PWs) bands (ev): -24.6348 -24.6348 -24.6343 -24.6343 -8.3650 -8.3650 -8.3419 -8.3419 -8.1164 -8.1164 -8.0953 -8.0953 -8.0426 -8.0426 -8.0238 -8.0238 -5.4707 -5.4707 -4.5411 -4.5411 0.8978 0.8978 1.3585 1.3585 2.4312 2.4312 2.4868 2.4868 2.9756 2.9756 3.7199 3.7199 4.3604 4.3604 4.5624 4.5624 5.3292 5.3292 5.6512 5.6512 7.3550 7.3550 9.6924 9.6924 9.7474 9.7474 9.8642 9.8642 k = 0.4186 0.5252 0.2500 ( 4824 PWs) bands (ev): -24.6353 -24.6353 -24.6347 -24.6347 -8.3655 -8.3655 -8.3418 -8.3418 -8.1146 -8.1146 -8.0949 -8.0949 -8.0400 -8.0400 -8.0209 -8.0209 -5.4976 -5.4976 -4.5398 -4.5398 0.8567 0.8567 1.3481 1.3481 2.4517 2.4517 2.5579 2.5579 2.9886 2.9886 3.6928 3.6928 4.3462 4.3462 4.5813 4.5813 5.3724 5.3724 5.6800 5.6800 7.4103 7.4103 9.6795 9.6795 9.7770 9.7770 9.8345 9.8345 k = 0.4248 0.5180 0.2308 ( 4824 PWs) bands (ev): -24.6358 -24.6358 -24.6351 -24.6351 -8.3660 -8.3660 -8.3418 -8.3418 -8.1130 -8.1130 -8.0947 -8.0947 -8.0373 -8.0373 -8.0179 -8.0179 -5.5229 -5.5229 -4.5385 -4.5385 0.8182 0.8182 1.3390 1.3390 2.4679 2.4679 2.6141 2.6141 3.0179 3.0179 3.6664 3.6664 4.3318 4.3318 4.6021 4.6021 5.4081 5.4081 5.7053 5.7053 7.4802 7.4802 9.6665 9.6665 9.7570 9.7570 9.7858 9.7858 k = 0.4311 0.5107 0.2116 ( 4818 PWs) bands (ev): -24.6362 -24.6362 -24.6354 -24.6354 -8.3666 -8.3666 -8.3419 -8.3419 -8.1115 -8.1115 -8.0946 -8.0946 -8.0345 -8.0345 -8.0149 -8.0149 -5.5465 -5.5465 -4.5374 -4.5374 0.7826 0.7826 1.3313 1.3313 2.4829 2.4829 2.6504 2.6504 3.0640 3.0640 3.6411 3.6411 4.3181 4.3181 4.6236 4.6236 5.4374 5.4374 5.7273 5.7273 7.5628 7.5628 9.6533 9.6533 9.7028 9.7028 9.7347 9.7347 k = 0.4374 0.5034 0.1923 ( 4828 PWs) bands (ev): -24.6366 -24.6366 -24.6358 -24.6358 -8.3672 -8.3672 -8.3420 -8.3420 -8.1102 -8.1102 -8.0947 -8.0947 -8.0317 -8.0317 -8.0120 -8.0120 -5.5683 -5.5683 -4.5363 -4.5363 0.7499 0.7499 1.3248 1.3248 2.4973 2.4973 2.6698 2.6698 3.1221 3.1221 3.6174 3.6174 4.3055 4.3055 4.6451 4.6451 5.4617 5.4617 5.7462 5.7462 7.6560 7.6560 9.6179 9.6179 9.6489 9.6489 9.6883 9.6883 k = 0.4436 0.4961 0.1731 ( 4814 PWs) bands (ev): -24.6370 -24.6370 -24.6361 -24.6361 -8.3678 -8.3678 -8.3422 -8.3422 -8.1090 -8.1090 -8.0949 -8.0949 -8.0289 -8.0289 -8.0092 -8.0092 -5.5882 -5.5882 -4.5354 -4.5354 0.7201 0.7201 1.3193 1.3193 2.5110 2.5110 2.6777 2.6777 3.1855 3.1855 3.5960 3.5960 4.2941 4.2941 4.6661 4.6661 5.4824 5.4824 5.7625 5.7625 7.7573 7.7573 9.5324 9.5324 9.6341 9.6341 9.6470 9.6470 k = 0.4499 0.4889 0.1539 ( 4812 PWs) bands (ev): -24.6373 -24.6373 -24.6364 -24.6364 -8.3685 -8.3685 -8.3423 -8.3423 -8.1080 -8.1080 -8.0951 -8.0951 -8.0262 -8.0262 -8.0065 -8.0065 -5.6061 -5.6061 -4.5345 -4.5345 0.6933 0.6933 1.3148 1.3148 2.5241 2.5241 2.6788 2.6788 3.2479 3.2479 3.5779 3.5779 4.2840 4.2840 4.6859 4.6859 5.5009 5.5009 5.7764 5.7764 7.8639 7.8639 9.4408 9.4408 9.6045 9.6045 9.6279 9.6279 k = 0.4561 0.4816 0.1346 ( 4820 PWs) bands (ev): -24.6376 -24.6376 -24.6366 -24.6366 -8.3691 -8.3691 -8.3425 -8.3425 -8.1071 -8.1071 -8.0954 -8.0954 -8.0238 -8.0238 -8.0040 -8.0040 -5.6221 -5.6221 -4.5338 -4.5338 0.6696 0.6696 1.3112 1.3112 2.5363 2.5363 2.6761 2.6761 3.3045 3.3045 3.5642 3.5642 4.2752 4.2752 4.7042 4.7042 5.5182 5.5182 5.7879 5.7879 7.9728 7.9728 9.3500 9.3500 9.5698 9.5698 9.6191 9.6191 k = 0.4624 0.4743 0.1154 ( 4812 PWs) bands (ev): -24.6379 -24.6379 -24.6368 -24.6368 -8.3697 -8.3697 -8.3427 -8.3427 -8.1063 -8.1063 -8.0957 -8.0957 -8.0215 -8.0215 -8.0018 -8.0018 -5.6360 -5.6360 -4.5332 -4.5332 0.6489 0.6489 1.3083 1.3083 2.5477 2.5477 2.6716 2.6716 3.3512 3.3512 3.5569 3.5569 4.2677 4.2677 4.7204 4.7204 5.5351 5.5351 5.7972 5.7972 8.0807 8.0807 9.2639 9.2639 9.5390 9.5390 9.6118 9.6118 k = 0.4687 0.4670 0.0962 ( 4820 PWs) bands (ev): -24.6381 -24.6381 -24.6370 -24.6370 -8.3702 -8.3702 -8.3429 -8.3429 -8.1057 -8.1057 -8.0960 -8.0960 -8.0195 -8.0195 -7.9998 -7.9998 -5.6478 -5.6478 -4.5326 -4.5326 0.6314 0.6314 1.3060 1.3060 2.5580 2.5580 2.6663 2.6663 3.3845 3.3845 3.5579 3.5579 4.2613 4.2613 4.7343 4.7343 5.5516 5.5516 5.8043 5.8043 8.1838 8.1838 9.1854 9.1854 9.5125 9.5125 9.6055 9.6055 k = 0.4749 0.4598 0.0769 ( 4808 PWs) bands (ev): -24.6383 -24.6383 -24.6372 -24.6372 -8.3707 -8.3707 -8.3430 -8.3430 -8.1051 -8.1051 -8.0962 -8.0962 -8.0178 -8.0178 -7.9981 -7.9981 -5.6576 -5.6576 -4.5322 -4.5322 0.6171 0.6171 1.3043 1.3043 2.5671 2.5671 2.6609 2.6609 3.4039 3.4039 3.5673 3.5673 4.2562 4.2562 4.7456 4.7456 5.5674 5.5674 5.8095 5.8095 8.2780 8.2780 9.1173 9.1173 9.4906 9.4906 9.6004 9.6004 k = 0.4812 0.4525 0.0577 ( 4802 PWs) bands (ev): -24.6385 -24.6385 -24.6373 -24.6373 -8.3710 -8.3710 -8.3432 -8.3432 -8.1047 -8.1047 -8.0965 -8.0965 -8.0165 -8.0165 -7.9968 -7.9968 -5.6651 -5.6651 -4.5318 -4.5318 0.6059 0.6059 1.3031 1.3031 2.5747 2.5747 2.6560 2.6560 3.4124 3.4124 3.5813 3.5813 4.2523 4.2523 4.7543 4.7543 5.5817 5.5817 5.8129 5.8129 8.3586 8.3586 9.0617 9.0617 9.4733 9.4733 9.5963 9.5963 k = 0.4875 0.4452 0.0385 ( 4792 PWs) bands (ev): -24.6385 -24.6385 -24.6374 -24.6374 -8.3713 -8.3713 -8.3433 -8.3433 -8.1044 -8.1044 -8.0966 -8.0966 -8.0155 -8.0155 -7.9958 -7.9958 -5.6706 -5.6706 -4.5316 -4.5316 0.5979 0.5979 1.3022 1.3022 2.5807 2.5807 2.6519 2.6519 3.4151 3.4151 3.5948 3.5948 4.2495 4.2495 4.7604 4.7604 5.5933 5.5933 5.8148 5.8148 8.4210 8.4210 9.0207 9.0207 9.4609 9.4609 9.5933 9.5933 k = 0.4937 0.4380 0.0192 ( 4796 PWs) bands (ev): -24.6386 -24.6386 -24.6374 -24.6374 -8.3715 -8.3715 -8.3433 -8.3433 -8.1042 -8.1042 -8.0968 -8.0968 -8.0149 -8.0149 -7.9953 -7.9953 -5.6738 -5.6738 -4.5314 -4.5314 0.5930 0.5930 1.3017 1.3017 2.5845 2.5845 2.6491 2.6491 3.4156 3.4156 3.6041 3.6041 4.2478 4.2478 4.7640 4.7640 5.6008 5.6008 5.8158 5.8158 8.4605 8.4605 8.9955 8.9955 9.4533 9.4533 9.5915 9.5915 k = 0.5000 0.4307 0.0000 ( 4792 PWs) bands (ev): -24.6386 -24.6386 -24.6374 -24.6374 -8.3715 -8.3715 -8.3434 -8.3434 -8.1041 -8.1041 -8.0968 -8.0968 -8.0147 -8.0147 -7.9951 -7.9951 -5.6749 -5.6749 -4.5314 -4.5314 0.5914 0.5914 1.3016 1.3016 2.5858 2.5858 2.6482 2.6482 3.4155 3.4155 3.6074 3.6074 4.2473 4.2473 4.7652 4.7652 5.6035 5.6035 5.8160 5.8160 8.4741 8.4741 8.9870 8.9870 9.4508 9.4508 9.5908 9.5908 k = 0.5000 0.4307 0.0000 ( 4792 PWs) bands (ev): -24.6386 -24.6386 -24.6374 -24.6374 -8.3715 -8.3715 -8.3434 -8.3434 -8.1041 -8.1041 -8.0968 -8.0968 -8.0147 -8.0147 -7.9951 -7.9951 -5.6749 -5.6749 -4.5314 -4.5314 0.5914 0.5914 1.3016 1.3016 2.5858 2.5858 2.6482 2.6482 3.4155 3.4155 3.6074 3.6074 4.2473 4.2473 4.7652 4.7652 5.6035 5.6035 5.8160 5.8160 8.4741 8.4741 8.9870 8.9870 9.4508 9.4508 9.5908 9.5908 k = 0.4839 0.4168 0.0000 ( 4804 PWs) bands (ev): -24.6387 -24.6387 -24.6374 -24.6374 -8.3713 -8.3713 -8.3433 -8.3433 -8.1041 -8.1041 -8.0968 -8.0968 -8.0148 -8.0148 -7.9951 -7.9951 -5.6754 -5.6754 -4.5315 -4.5315 0.5917 0.5917 1.3016 1.3016 2.5851 2.5851 2.6506 2.6506 3.4158 3.4158 3.6072 3.6072 4.2474 4.2474 4.7652 4.7652 5.6036 5.6036 5.8155 5.8155 8.4736 8.4736 8.9863 8.9863 9.4456 9.4456 9.5950 9.5950 k = 0.4677 0.4029 0.0000 ( 4814 PWs) bands (ev): -24.6388 -24.6388 -24.6373 -24.6373 -8.3707 -8.3707 -8.3432 -8.3432 -8.1039 -8.1039 -8.0968 -8.0968 -8.0149 -8.0149 -7.9951 -7.9951 -5.6769 -5.6769 -4.5320 -4.5320 0.5925 0.5925 1.3015 1.3015 2.5830 2.5830 2.6575 2.6575 3.4166 3.4166 3.6068 3.6068 4.2477 4.2477 4.7653 4.7653 5.6039 5.6039 5.8138 5.8138 8.4722 8.4722 8.9841 8.9841 9.4298 9.4298 9.6074 9.6074 k = 0.4516 0.3890 0.0000 ( 4808 PWs) bands (ev): -24.6389 -24.6389 -24.6372 -24.6372 -8.3696 -8.3696 -8.3431 -8.3431 -8.1037 -8.1037 -8.0967 -8.0967 -8.0152 -8.0152 -7.9952 -7.9952 -5.6794 -5.6794 -4.5329 -4.5329 0.5938 0.5938 1.3015 1.3015 2.5801 2.5801 2.6685 2.6685 3.4180 3.4180 3.6060 3.6060 4.2482 4.2482 4.7655 4.7655 5.6045 5.6045 5.8111 5.8111 8.4698 8.4698 8.9803 8.9803 9.4038 9.4038 9.6280 9.6280 k = 0.4355 0.3751 0.0000 ( 4812 PWs) bands (ev): -24.6391 -24.6391 -24.6371 -24.6371 -8.3681 -8.3681 -8.3428 -8.3428 -8.1034 -8.1034 -8.0966 -8.0966 -8.0155 -8.0155 -7.9953 -7.9953 -5.6828 -5.6828 -4.5340 -4.5340 0.5955 0.5955 1.3014 1.3014 2.5768 2.5768 2.6831 2.6831 3.4199 3.4199 3.6050 3.6050 4.2489 4.2489 4.7657 4.7657 5.6054 5.6054 5.8073 5.8073 8.4666 8.4666 8.9748 8.9748 9.3679 9.3679 9.6566 9.6566 k = 0.4194 0.3612 0.0000 ( 4812 PWs) bands (ev): -24.6392 -24.6392 -24.6369 -24.6369 -8.3663 -8.3663 -8.3425 -8.3425 -8.1031 -8.1031 -8.0964 -8.0964 -8.0159 -8.0159 -7.9955 -7.9955 -5.6872 -5.6872 -4.5355 -4.5355 0.5978 0.5978 1.3014 1.3014 2.5731 2.5731 2.7010 2.7010 3.4224 3.4224 3.6036 3.6036 4.2498 4.2498 4.7660 4.7660 5.6064 5.6064 5.8026 5.8026 8.4625 8.4625 8.9672 8.9672 9.3227 9.3227 9.6930 9.6930 k = 0.4032 0.3473 0.0000 ( 4814 PWs) bands (ev): -24.6394 -24.6394 -24.6367 -24.6367 -8.3641 -8.3641 -8.3422 -8.3422 -8.1028 -8.1028 -8.0959 -8.0959 -8.0163 -8.0163 -7.9956 -7.9956 -5.6924 -5.6924 -4.5372 -4.5372 0.6006 0.6006 1.3013 1.3013 2.5693 2.5693 2.7222 2.7222 3.4253 3.4253 3.6021 3.6021 4.2509 4.2509 4.7664 4.7664 5.6077 5.6077 5.7971 5.7971 8.4577 8.4577 8.9571 8.9571 9.2692 9.2692 9.7333 9.7333 k = 0.3871 0.3334 0.0000 ( 4810 PWs) bands (ev): -24.6396 -24.6396 -24.6366 -24.6366 -8.3617 -8.3617 -8.3417 -8.3417 -8.1027 -8.1027 -8.0952 -8.0952 -8.0168 -8.0168 -7.9958 -7.9958 -5.6985 -5.6985 -4.5392 -4.5392 0.6038 0.6038 1.3012 1.3012 2.5653 2.5653 2.7463 2.7463 3.4287 3.4287 3.6003 3.6003 4.2522 4.2522 4.7668 4.7668 5.6092 5.6092 5.7909 5.7909 8.4522 8.4522 8.9439 8.9439 9.2087 9.2087 9.6805 9.6805 k = 0.3710 0.3195 0.0000 ( 4798 PWs) bands (ev): -24.6397 -24.6397 -24.6364 -24.6364 -8.3591 -8.3591 -8.3410 -8.3410 -8.1028 -8.1028 -8.0942 -8.0942 -8.0174 -8.0174 -7.9960 -7.9960 -5.7054 -5.7054 -4.5415 -4.5415 0.6075 0.6075 1.3011 1.3011 2.5612 2.5612 2.7734 2.7734 3.4326 3.4326 3.5984 3.5984 4.2537 4.2537 4.7673 4.7673 5.6108 5.6108 5.7840 5.7840 8.4461 8.4461 8.9268 8.9268 9.1429 9.1429 9.6090 9.6090 k = 0.3548 0.3056 0.0000 ( 4802 PWs) bands (ev): -24.6400 -24.6400 -24.6362 -24.6362 -8.3564 -8.3564 -8.3402 -8.3402 -8.1030 -8.1030 -8.0929 -8.0929 -8.0179 -8.0179 -7.9963 -7.9963 -5.7129 -5.7129 -4.5440 -4.5440 0.6116 0.6116 1.3010 1.3010 2.5569 2.5569 2.8033 2.8033 3.4368 3.4368 3.5963 3.5963 4.2553 4.2553 4.7679 4.7679 5.6127 5.6127 5.7766 5.7766 8.4394 8.4394 8.9041 8.9041 9.0739 9.0739 9.5410 9.5410 k = 0.3387 0.2918 0.0000 ( 4806 PWs) bands (ev): -24.6402 -24.6402 -24.6360 -24.6360 -8.3538 -8.3538 -8.3391 -8.3391 -8.1034 -8.1034 -8.0913 -8.0913 -8.0185 -8.0185 -7.9966 -7.9966 -5.7212 -5.7212 -4.5467 -4.5467 0.6160 0.6160 1.3009 1.3009 2.5524 2.5524 2.8357 2.8357 3.4414 3.4414 3.5941 3.5941 4.2572 4.2572 4.7685 4.7685 5.6147 5.6147 5.7689 5.7689 8.4322 8.4322 8.8736 8.8736 9.0046 9.0046 9.4773 9.4773 k = 0.3226 0.2779 0.0000 ( 4806 PWs) bands (ev): -24.6403 -24.6403 -24.6358 -24.6358 -8.3514 -8.3514 -8.3376 -8.3376 -8.1039 -8.1039 -8.0894 -8.0894 -8.0190 -8.0190 -7.9968 -7.9968 -5.7300 -5.7300 -4.5495 -4.5495 0.6208 0.6208 1.3008 1.3008 2.5478 2.5478 2.8705 2.8705 3.4464 3.4464 3.5918 3.5918 4.2591 4.2591 4.7692 4.7692 5.6168 5.6168 5.7609 5.7609 8.4247 8.4247 8.8316 8.8316 8.9390 8.9390 9.4187 9.4187 k = 0.3065 0.2640 0.0000 ( 4802 PWs) bands (ev): -24.6405 -24.6405 -24.6357 -24.6357 -8.3494 -8.3494 -8.3355 -8.3355 -8.1044 -8.1044 -8.0873 -8.0873 -8.0196 -8.0196 -7.9971 -7.9971 -5.7393 -5.7393 -4.5526 -4.5526 0.6260 0.6260 1.3007 1.3007 2.5431 2.5431 2.9074 2.9074 3.4516 3.4516 3.5896 3.5896 4.2612 4.2612 4.7699 4.7699 5.6190 5.6190 5.7527 5.7527 8.4169 8.4169 8.7755 8.7755 8.8801 8.8801 9.3658 9.3658 k = 0.2903 0.2501 0.0000 ( 4792 PWs) bands (ev): -24.6406 -24.6406 -24.6355 -24.6355 -8.3479 -8.3479 -8.3329 -8.3329 -8.1051 -8.1051 -8.0849 -8.0849 -8.0200 -8.0200 -7.9975 -7.9975 -5.7491 -5.7491 -4.5557 -4.5557 0.6313 0.6313 1.3006 1.3006 2.5382 2.5382 2.9463 2.9463 3.4570 3.4570 3.5873 3.5873 4.2633 4.2633 4.7707 4.7707 5.6213 5.6213 5.7445 5.7445 8.4089 8.4089 8.7080 8.7080 8.8258 8.8258 9.3191 9.3191 k = 0.2742 0.2362 0.0000 ( 4790 PWs) bands (ev): -24.6408 -24.6408 -24.6353 -24.6353 -8.3468 -8.3468 -8.3299 -8.3299 -8.1058 -8.1058 -8.0823 -8.0823 -8.0205 -8.0205 -7.9978 -7.9978 -5.7591 -5.7591 -4.5590 -4.5590 0.6369 0.6369 1.3005 1.3005 2.5334 2.5334 2.9867 2.9867 3.4625 3.4625 3.5852 3.5852 4.2656 4.2656 4.7716 4.7716 5.6236 5.6236 5.7364 5.7364 8.4008 8.4008 8.6346 8.6346 8.7712 8.7712 9.2788 9.2788 k = 0.2581 0.2223 0.0000 ( 4790 PWs) bands (ev): -24.6410 -24.6410 -24.6351 -24.6351 -8.3461 -8.3461 -8.3265 -8.3265 -8.1066 -8.1066 -8.0796 -8.0796 -8.0209 -8.0209 -7.9981 -7.9981 -5.7694 -5.7694 -4.5623 -4.5623 0.6427 0.6427 1.3004 1.3004 2.5284 2.5284 3.0283 3.0283 3.4681 3.4681 3.5832 3.5832 4.2678 4.2678 4.7726 4.7726 5.6259 5.6259 5.7285 5.7285 8.3926 8.3926 8.5593 8.5593 8.7140 8.7140 9.2446 9.2446 k = 0.2419 0.2084 0.0000 ( 4802 PWs) bands (ev): -24.6411 -24.6411 -24.6350 -24.6350 -8.3456 -8.3456 -8.3230 -8.3230 -8.1074 -8.1074 -8.0767 -8.0767 -8.0212 -8.0212 -7.9985 -7.9985 -5.7797 -5.7797 -4.5656 -4.5656 0.6485 0.6485 1.3004 1.3004 2.5235 2.5235 3.0709 3.0709 3.4737 3.4737 3.5814 3.5814 4.2700 4.2700 4.7736 4.7736 5.6282 5.6282 5.7208 5.7208 8.3844 8.3844 8.4842 8.4842 8.6536 8.6536 9.2158 9.2158 k = 0.2258 0.1945 0.0000 ( 4804 PWs) bands (ev): -24.6413 -24.6413 -24.6349 -24.6349 -8.3453 -8.3453 -8.3195 -8.3195 -8.1082 -8.1082 -8.0737 -8.0737 -8.0215 -8.0215 -7.9988 -7.9988 -5.7901 -5.7901 -4.5689 -4.5689 0.6543 0.6543 1.3003 1.3003 2.5187 2.5187 3.1140 3.1140 3.4793 3.4793 3.5799 3.5799 4.2721 4.2721 4.7747 4.7747 5.6304 5.6304 5.7134 5.7134 8.3761 8.3761 8.4109 8.4109 8.5907 8.5907 9.1916 9.1916 k = 0.2097 0.1806 0.0000 ( 4804 PWs) bands (ev): -24.6414 -24.6414 -24.6348 -24.6348 -8.3451 -8.3451 -8.3160 -8.3160 -8.1090 -8.1090 -8.0705 -8.0705 -8.0217 -8.0217 -7.9992 -7.9992 -5.8004 -5.8004 -4.5721 -4.5721 0.6601 0.6601 1.3003 1.3003 2.5139 2.5139 3.1572 3.1572 3.4847 3.4847 3.5787 3.5787 4.2741 4.2741 4.7759 4.7759 5.6325 5.6325 5.7065 5.7065 8.3385 8.3385 8.3691 8.3691 8.5265 8.5265 9.1711 9.1711 k = 0.1935 0.1667 0.0000 ( 4806 PWs) bands (ev): -24.6416 -24.6416 -24.6346 -24.6346 -8.3450 -8.3450 -8.3127 -8.3127 -8.1097 -8.1097 -8.0673 -8.0673 -8.0218 -8.0218 -7.9995 -7.9995 -5.8105 -5.8105 -4.5753 -4.5753 0.6658 0.6658 1.3003 1.3003 2.5093 2.5093 3.2001 3.2001 3.4899 3.4899 3.5779 3.5779 4.2758 4.2758 4.7771 4.7771 5.6344 5.6344 5.7000 5.7000 8.2704 8.2704 8.3606 8.3606 8.4625 8.4625 9.1537 9.1537 k = 0.1774 0.1528 0.0000 ( 4812 PWs) bands (ev): -24.6417 -24.6417 -24.6345 -24.6345 -8.3450 -8.3450 -8.3095 -8.3095 -8.1105 -8.1105 -8.0642 -8.0642 -8.0220 -8.0220 -7.9998 -7.9998 -5.8202 -5.8202 -4.5783 -4.5783 0.6714 0.6714 1.3003 1.3003 2.5049 2.5049 3.2420 3.2420 3.4949 3.4949 3.5776 3.5776 4.2774 4.2774 4.7783 4.7783 5.6360 5.6360 5.6942 5.6942 8.2056 8.2056 8.3509 8.3509 8.4010 8.4010 9.1387 9.1387 k = 0.1613 0.1389 0.0000 ( 4810 PWs) bands (ev): -24.6418 -24.6418 -24.6344 -24.6344 -8.3450 -8.3450 -8.3065 -8.3065 -8.1112 -8.1112 -8.0610 -8.0610 -8.0221 -8.0221 -8.0001 -8.0001 -5.8295 -5.8295 -4.5812 -4.5812 0.6767 0.6767 1.3003 1.3003 2.5007 2.5007 3.2825 3.2825 3.4997 3.4997 3.5777 3.5777 4.2786 4.2786 4.7796 4.7796 5.6373 5.6373 5.6890 5.6890 8.1446 8.1446 8.3251 8.3251 8.3581 8.3581 9.1257 9.1257 k = 0.1452 0.1250 0.0000 ( 4810 PWs) bands (ev): -24.6419 -24.6419 -24.6343 -24.6343 -8.3451 -8.3451 -8.3037 -8.3037 -8.1119 -8.1119 -8.0579 -8.0579 -8.0221 -8.0221 -8.0003 -8.0003 -5.8383 -5.8383 -4.5840 -4.5840 0.6817 0.6817 1.3003 1.3003 2.4968 2.4968 3.3208 3.3208 3.5045 3.5045 3.5784 3.5784 4.2795 4.2795 4.7809 4.7809 5.6382 5.6382 5.6845 5.6845 8.0881 8.0881 8.2718 8.2718 8.3459 8.3459 9.1144 9.1144 k = 0.1290 0.1111 0.0000 ( 4806 PWs) bands (ev): -24.6420 -24.6420 -24.6342 -24.6342 -8.3452 -8.3452 -8.3011 -8.3011 -8.1125 -8.1125 -8.0550 -8.0550 -8.0222 -8.0222 -8.0005 -8.0005 -5.8465 -5.8465 -4.5865 -4.5865 0.6864 0.6864 1.3003 1.3003 2.4931 2.4931 3.3562 3.3562 3.5093 3.5093 3.5797 3.5797 4.2801 4.2801 4.7822 4.7822 5.6386 5.6386 5.6809 5.6809 8.0363 8.0363 8.2175 8.2175 8.3390 8.3390 9.1046 9.1046 k = 0.1129 0.0973 0.0000 ( 4793 PWs) bands (ev): -24.6420 -24.6420 -24.6341 -24.6341 -8.3454 -8.3454 -8.2989 -8.2989 -8.1131 -8.1131 -8.0522 -8.0522 -8.0222 -8.0222 -8.0007 -8.0007 -5.8540 -5.8540 -4.5888 -4.5888 0.6906 0.6906 1.3003 1.3003 2.4899 2.4899 3.3878 3.3878 3.5144 3.5144 3.5815 3.5815 4.2803 4.2803 4.7835 4.7835 5.6386 5.6386 5.6780 5.6780 7.9897 7.9897 8.1669 8.1669 8.3334 8.3334 9.0961 9.0961 k = 0.0968 0.0834 0.0000 ( 4795 PWs) bands (ev): -24.6421 -24.6421 -24.6341 -24.6341 -8.3455 -8.3455 -8.2969 -8.2969 -8.1136 -8.1136 -8.0497 -8.0497 -8.0223 -8.0223 -8.0008 -8.0008 -5.8606 -5.8606 -4.5908 -4.5908 0.6944 0.6944 1.3004 1.3004 2.4869 2.4869 3.4147 3.4147 3.5200 3.5200 3.5840 3.5840 4.2803 4.2803 4.7847 4.7847 5.6382 5.6382 5.6760 5.6760 7.9486 7.9486 8.1214 8.1214 8.3287 8.3287 9.0889 9.0889 k = 0.0806 0.0695 0.0000 ( 4791 PWs) bands (ev): -24.6422 -24.6422 -24.6340 -24.6340 -8.3456 -8.3456 -8.2952 -8.2952 -8.1140 -8.1140 -8.0475 -8.0475 -8.0224 -8.0224 -8.0008 -8.0008 -5.8664 -5.8664 -4.5926 -4.5926 0.6977 0.6977 1.3004 1.3004 2.4844 2.4844 3.4361 3.4361 3.5264 3.5264 3.5873 3.5873 4.2800 4.2800 4.7858 4.7858 5.6376 5.6376 5.6745 5.6745 7.9132 7.9132 8.0817 8.0817 8.3246 8.3246 9.0828 9.0828 k = 0.0645 0.0556 0.0000 ( 4789 PWs) bands (ev): -24.6422 -24.6422 -24.6339 -24.6339 -8.3458 -8.3458 -8.2938 -8.2938 -8.1144 -8.1144 -8.0455 -8.0455 -8.0225 -8.0225 -8.0008 -8.0008 -5.8712 -5.8712 -4.5941 -4.5941 0.7005 0.7005 1.3004 1.3004 2.4823 2.4823 3.4517 3.4517 3.5332 3.5332 3.5911 3.5911 4.2795 4.2795 4.7867 4.7867 5.6367 5.6367 5.6736 5.6736 7.8839 7.8839 8.0484 8.0484 8.3213 8.3213 9.0778 9.0778 k = 0.0484 0.0417 0.0000 ( 4783 PWs) bands (ev): -24.6422 -24.6422 -24.6339 -24.6339 -8.3459 -8.3459 -8.2927 -8.2927 -8.1147 -8.1147 -8.0440 -8.0440 -8.0226 -8.0226 -8.0009 -8.0009 -5.8750 -5.8750 -4.5952 -4.5952 0.7026 0.7026 1.3004 1.3004 2.4807 2.4807 3.4622 3.4622 3.5396 3.5396 3.5954 3.5954 4.2790 4.2790 4.7875 4.7875 5.6359 5.6359 5.6731 5.6731 7.8609 7.8609 8.0219 8.0219 8.3188 8.3188 9.0740 9.0740 k = 0.0323 0.0278 0.0000 ( 4775 PWs) bands (ev): -24.6423 -24.6423 -24.6338 -24.6338 -8.3460 -8.3460 -8.2919 -8.2919 -8.1148 -8.1148 -8.0429 -8.0429 -8.0227 -8.0227 -8.0008 -8.0008 -5.8778 -5.8778 -4.5961 -4.5961 0.7042 0.7042 1.3005 1.3005 2.4795 2.4795 3.4686 3.4686 3.5445 3.5445 3.5995 3.5995 4.2785 4.2785 4.7881 4.7881 5.6352 5.6352 5.6728 5.6728 7.8443 7.8443 8.0027 8.0027 8.3169 8.3169 9.0713 9.0713 k = 0.0161 0.0139 0.0000 ( 4775 PWs) bands (ev): -24.6423 -24.6423 -24.6338 -24.6338 -8.3460 -8.3460 -8.2915 -8.2915 -8.1150 -8.1150 -8.0422 -8.0422 -8.0228 -8.0228 -8.0008 -8.0008 -5.8795 -5.8795 -4.5966 -4.5966 0.7051 0.7051 1.3005 1.3005 2.4788 2.4788 3.4720 3.4720 3.5476 3.5476 3.6025 3.6025 4.2782 4.2782 4.7884 4.7884 5.6348 5.6348 5.6726 5.6726 7.8343 7.8343 7.9911 7.9911 8.3158 8.3158 9.0696 9.0696 k = 0.0000 0.0000 0.0000 ( 4771 PWs) bands (ev): -24.6423 -24.6423 -24.6338 -24.6338 -8.3460 -8.3460 -8.2913 -8.2913 -8.1150 -8.1150 -8.0419 -8.0419 -8.0228 -8.0228 -8.0008 -8.0008 -5.8800 -5.8800 -4.5968 -4.5968 0.7055 0.7055 1.3005 1.3005 2.4785 2.4785 3.4730 3.4730 3.5486 3.5486 3.6035 3.6035 4.2781 4.2781 4.7886 4.7886 5.6346 5.6346 5.6726 5.6726 7.8310 7.8310 7.9872 7.9872 8.3155 8.3155 9.0691 9.0691 k = 0.0000 0.0000 0.0000 ( 4771 PWs) bands (ev): -24.6423 -24.6423 -24.6338 -24.6338 -8.3460 -8.3460 -8.2913 -8.2913 -8.1150 -8.1150 -8.0419 -8.0419 -8.0228 -8.0228 -8.0008 -8.0008 -5.8800 -5.8800 -4.5968 -4.5968 0.7055 0.7055 1.3005 1.3005 2.4785 2.4785 3.4730 3.4730 3.5486 3.5486 3.6035 3.6035 4.2781 4.2781 4.7886 4.7886 5.6346 5.6346 5.6726 5.6726 7.8310 7.8310 7.9872 7.9872 8.3155 8.3155 9.0691 9.0691 k = 0.0125-0.0145 0.0095 ( 4783 PWs) bands (ev): -24.6423 -24.6423 -24.6338 -24.6338 -8.3460 -8.3460 -8.2914 -8.2914 -8.1150 -8.1150 -8.0420 -8.0420 -8.0227 -8.0227 -8.0009 -8.0009 -5.8794 -5.8794 -4.5973 -4.5973 0.7071 0.7071 1.3006 1.3006 2.4783 2.4783 3.4726 3.4726 3.5487 3.5487 3.6038 3.6038 4.2782 4.2782 4.7873 4.7873 5.6286 5.6286 5.6691 5.6691 7.8355 7.8355 7.9931 7.9931 8.3147 8.3147 9.0750 9.0750 k = 0.0249-0.0289 0.0190 ( 4787 PWs) bands (ev): -24.6423 -24.6423 -24.6339 -24.6339 -8.3460 -8.3460 -8.2916 -8.2916 -8.1150 -8.1150 -8.0424 -8.0424 -8.0226 -8.0226 -8.0010 -8.0010 -5.8775 -5.8775 -4.5989 -4.5989 0.7120 0.7120 1.3011 1.3011 2.4775 2.4775 3.4712 3.4712 3.5489 3.5489 3.6047 3.6047 4.2788 4.2788 4.7834 4.7834 5.6098 5.6098 5.6602 5.6602 7.8492 7.8492 8.0101 8.0101 8.3125 8.3125 9.0926 9.0926 k = 0.0374-0.0434 0.0286 ( 4787 PWs) bands (ev): -24.6422 -24.6422 -24.6339 -24.6339 -8.3460 -8.3460 -8.2920 -8.2920 -8.1150 -8.1150 -8.0429 -8.0429 -8.0224 -8.0224 -8.0013 -8.0013 -5.8744 -5.8744 -4.6015 -4.6015 0.7200 0.7200 1.3018 1.3018 2.4762 2.4762 3.4688 3.4688 3.5493 3.5493 3.6062 3.6062 4.2797 4.2797 4.7764 4.7764 5.5777 5.5777 5.6481 5.6481 7.8720 7.8720 8.0365 8.0365 8.3089 8.3089 9.1220 9.1220 k = 0.0498-0.0578 0.0381 ( 4787 PWs) bands (ev): -24.6422 -24.6422 -24.6340 -24.6340 -8.3460 -8.3460 -8.2925 -8.2925 -8.1149 -8.1149 -8.0437 -8.0437 -8.0222 -8.0222 -8.0017 -8.0017 -5.8701 -5.8701 -4.6050 -4.6050 0.7310 0.7310 1.3029 1.3029 2.4745 2.4745 3.4654 3.4654 3.5499 3.5499 3.6084 3.6084 4.2809 4.2809 4.7658 4.7658 5.5346 5.5346 5.6339 5.6339 7.9036 7.9036 8.0702 8.0702 8.3041 8.3041 9.1629 9.1629 k = 0.0623-0.0723 0.0476 ( 4779 PWs) bands (ev): -24.6421 -24.6421 -24.6340 -24.6340 -8.3461 -8.3461 -8.2931 -8.2931 -8.1148 -8.1148 -8.0446 -8.0446 -8.0219 -8.0219 -8.0021 -8.0021 -5.8646 -5.8646 -4.6094 -4.6094 0.7447 0.7447 1.3044 1.3044 2.4724 2.4724 3.4608 3.4608 3.5507 3.5507 3.6114 3.6114 4.2825 4.2825 4.7506 4.7506 5.4841 5.4841 5.6177 5.6177 7.9436 7.9436 8.1088 8.1088 8.2983 8.2983 9.2151 9.2151 k = 0.0747-0.0867 0.0571 ( 4771 PWs) bands (ev): -24.6420 -24.6420 -24.6341 -24.6341 -8.3461 -8.3461 -8.2939 -8.2939 -8.1147 -8.1147 -8.0457 -8.0457 -8.0215 -8.0215 -8.0026 -8.0026 -5.8580 -5.8580 -4.6146 -4.6146 0.7608 0.7608 1.3062 1.3062 2.4699 2.4699 3.4549 3.4549 3.5516 3.5516 3.6152 3.6152 4.2845 4.2845 4.7298 4.7298 5.4297 5.4297 5.6000 5.6000 7.9911 7.9911 8.1503 8.1503 8.2918 8.2918 9.2776 9.2776 k = 0.0872-0.1012 0.0667 ( 4767 PWs) bands (ev): -24.6419 -24.6419 -24.6342 -24.6342 -8.3462 -8.3462 -8.2949 -8.2949 -8.1146 -8.1146 -8.0470 -8.0470 -8.0211 -8.0211 -8.0032 -8.0032 -5.8505 -5.8505 -4.6204 -4.6204 0.7788 0.7788 1.3084 1.3084 2.4670 2.4670 3.4476 3.4476 3.5525 3.5525 3.6200 3.6200 4.2867 4.2867 4.7018 4.7018 5.3754 5.3754 5.5814 5.5814 8.0451 8.0451 8.1931 8.1931 8.2853 8.2853 9.3493 9.3493 k = 0.0996-0.1157 0.0762 ( 4775 PWs) bands (ev): -24.6418 -24.6418 -24.6343 -24.6343 -8.3463 -8.3463 -8.2959 -8.2959 -8.1145 -8.1145 -8.0484 -8.0484 -8.0206 -8.0206 -8.0038 -8.0038 -5.8421 -5.8421 -4.6267 -4.6267 0.7984 0.7984 1.3110 1.3110 2.4640 2.4640 3.4388 3.4388 3.5535 3.5535 3.6260 3.6260 4.2892 4.2892 4.6657 4.6657 5.3244 5.3244 5.5627 5.5627 8.1034 8.1034 8.2361 8.2361 8.2804 8.2804 9.4286 9.4286 k = 0.1121-0.1301 0.0857 ( 4777 PWs) bands (ev): -24.6417 -24.6417 -24.6344 -24.6344 -8.3464 -8.3464 -8.2971 -8.2971 -8.1143 -8.1143 -8.0500 -8.0500 -8.0202 -8.0202 -8.0044 -8.0044 -5.8328 -5.8328 -4.6333 -4.6333 0.8191 0.8191 1.3140 1.3140 2.4607 2.4607 3.4284 3.4284 3.5544 3.5544 3.6334 3.6334 4.2919 4.2919 4.6207 4.6207 5.2792 5.2792 5.5445 5.5445 8.1617 8.1617 8.2694 8.2694 8.2905 8.2905 9.5132 9.5132 k = 0.1245-0.1446 0.0952 ( 4785 PWs) bands (ev): -24.6416 -24.6416 -24.6345 -24.6345 -8.3467 -8.3467 -8.2984 -8.2984 -8.1142 -8.1142 -8.0517 -8.0517 -8.0196 -8.0196 -8.0050 -8.0050 -5.8229 -5.8229 -4.6401 -4.6401 0.8402 0.8402 1.3175 1.3175 2.4573 2.4573 3.4162 3.4162 3.5552 3.5552 3.6423 3.6423 4.2948 4.2948 4.5672 4.5672 5.2415 5.2415 5.5274 5.5274 8.2062 8.2062 8.2866 8.2866 8.3350 8.3350 9.6007 9.6007 k = 0.1370-0.1590 0.1048 ( 4791 PWs) bands (ev): -24.6415 -24.6415 -24.6347 -24.6347 -8.3470 -8.3470 -8.2998 -8.2998 -8.1140 -8.1140 -8.0536 -8.0536 -8.0191 -8.0191 -8.0057 -8.0057 -5.8125 -5.8125 -4.6468 -4.6468 0.8612 0.8612 1.3214 1.3214 2.4539 2.4539 3.4023 3.4023 3.5558 3.5558 3.6530 3.6530 4.2975 4.2975 4.5065 4.5065 5.2114 5.2114 5.5120 5.5120 8.2205 8.2205 8.3259 8.3259 8.3918 8.3918 9.6879 9.6879 k = 0.1494-0.1735 0.1143 ( 4799 PWs) bands (ev): -24.6413 -24.6413 -24.6349 -24.6349 -8.3474 -8.3474 -8.3012 -8.3012 -8.1138 -8.1138 -8.0555 -8.0555 -8.0185 -8.0185 -8.0063 -8.0063 -5.8016 -5.8016 -4.6533 -4.6533 0.8815 0.8815 1.3256 1.3256 2.4506 2.4506 3.3865 3.3865 3.5561 3.5561 3.6655 3.6655 4.2992 4.2992 4.4414 4.4414 5.1883 5.1883 5.4987 5.4987 8.2192 8.2192 8.3725 8.3725 8.4612 8.4612 9.7711 9.7711 k = 0.1619-0.1879 0.1238 ( 4801 PWs) bands (ev): -24.6412 -24.6412 -24.6350 -24.6350 -8.3479 -8.3479 -8.3027 -8.3027 -8.1135 -8.1135 -8.0575 -8.0575 -8.0178 -8.0178 -8.0069 -8.0069 -5.7905 -5.7905 -4.6594 -4.6594 0.9006 0.9006 1.3300 1.3300 2.4473 2.4473 3.3690 3.3690 3.5562 3.5562 3.6802 3.6802 4.2959 4.2959 4.3780 4.3780 5.1712 5.1712 5.4880 5.4880 8.2142 8.2142 8.4167 8.4167 8.5406 8.5406 9.8455 9.8455 k = 0.1743-0.2024 0.1333 ( 4803 PWs) bands (ev): -24.6410 -24.6410 -24.6352 -24.6352 -8.3485 -8.3485 -8.3043 -8.3043 -8.1133 -8.1133 -8.0595 -8.0595 -8.0172 -8.0172 -8.0075 -8.0075 -5.7793 -5.7793 -4.6650 -4.6650 0.9178 0.9178 1.3346 1.3346 2.4442 2.4442 3.3497 3.3497 3.5559 3.5559 3.6970 3.6970 4.2679 4.2679 4.3384 4.3384 5.1589 5.1589 5.4801 5.4801 8.2087 8.2087 8.4592 8.4592 8.6264 8.6264 9.9054 9.9054 k = 0.1868-0.2169 0.1429 ( 4807 PWs) bands (ev): -24.6408 -24.6408 -24.6354 -24.6354 -8.3492 -8.3492 -8.3060 -8.3060 -8.1130 -8.1130 -8.0616 -8.0616 -8.0165 -8.0165 -8.0080 -8.0080 -5.7682 -5.7682 -4.6697 -4.6697 0.9327 0.9327 1.3390 1.3390 2.4413 2.4413 3.3288 3.3288 3.5553 3.5553 3.7160 3.7160 4.2078 4.2078 4.3320 4.3320 5.1503 5.1503 5.4753 5.4753 8.2038 8.2038 8.5010 8.5010 8.7163 8.7163 9.9455 9.9455 k = 0.1992-0.2313 0.1524 ( 4803 PWs) bands (ev): -24.6407 -24.6407 -24.6355 -24.6355 -8.3501 -8.3501 -8.3077 -8.3077 -8.1127 -8.1127 -8.0637 -8.0637 -8.0158 -8.0158 -8.0084 -8.0084 -5.7572 -5.7572 -4.6735 -4.6735 0.9449 0.9449 1.3430 1.3430 2.4386 2.4386 3.3064 3.3064 3.5542 3.5542 3.7368 3.7368 4.1416 4.1416 4.3350 4.3350 5.1446 5.1446 5.4735 5.4735 8.2001 8.2001 8.5430 8.5430 8.8091 8.8091 9.9642 9.9642 k = 0.2117-0.2458 0.1619 ( 4799 PWs) bands (ev): -24.6405 -24.6405 -24.6357 -24.6357 -8.3511 -8.3511 -8.3094 -8.3094 -8.1124 -8.1124 -8.0659 -8.0659 -8.0151 -8.0151 -8.0087 -8.0087 -5.7466 -5.7466 -4.6763 -4.6763 0.9539 0.9539 1.3463 1.3463 2.4363 2.4363 3.2826 3.2826 3.5527 3.5527 3.7590 3.7590 4.0780 4.0780 4.3406 4.3406 5.1413 5.1413 5.4748 5.4748 8.1979 8.1979 8.5856 8.5856 8.9038 8.9038 9.9648 9.9648 k = 0.2242-0.2602 0.1714 ( 4807 PWs) bands (ev): -24.6403 -24.6403 -24.6359 -24.6359 -8.3521 -8.3521 -8.3111 -8.3111 -8.1121 -8.1121 -8.0680 -8.0680 -8.0145 -8.0145 -8.0089 -8.0089 -5.7365 -5.7365 -4.6778 -4.6778 0.9597 0.9597 1.3487 1.3487 2.4344 2.4344 3.2576 3.2576 3.5507 3.5507 3.7806 3.7806 4.0208 4.0208 4.3479 4.3479 5.1398 5.1398 5.4792 5.4792 8.1975 8.1975 8.6290 8.6290 8.9997 8.9997 9.9530 9.9530 k = 0.2366-0.2747 0.1809 ( 4811 PWs) bands (ev): -24.6401 -24.6401 -24.6361 -24.6361 -8.3533 -8.3533 -8.3128 -8.3128 -8.1117 -8.1117 -8.0701 -8.0701 -8.0140 -8.0140 -8.0089 -8.0089 -5.7269 -5.7269 -4.6780 -4.6780 0.9620 0.9620 1.3499 1.3499 2.4328 2.4328 3.2316 3.2316 3.5480 3.5480 3.7975 3.7975 3.9757 3.9757 4.3567 4.3567 5.1399 5.1399 5.4865 5.4865 8.1990 8.1990 8.6734 8.6734 9.0963 9.0963 9.9335 9.9335 k = 0.2491-0.2891 0.1905 ( 4827 PWs) bands (ev): -24.6400 -24.6400 -24.6363 -24.6363 -8.3546 -8.3546 -8.3146 -8.3146 -8.1113 -8.1113 -8.0723 -8.0723 -8.0137 -8.0137 -8.0087 -8.0087 -5.7181 -5.7181 -4.6768 -4.6768 0.9606 0.9606 1.3498 1.3498 2.4317 2.4317 3.2047 3.2047 3.5445 3.5445 3.8005 3.8005 3.9522 3.9522 4.3670 4.3670 5.1414 5.1414 5.4964 5.4964 8.2026 8.2026 8.7190 8.7190 9.1928 9.1928 9.9093 9.9093 k = 0.2615-0.3036 0.2000 ( 4817 PWs) bands (ev): -24.6398 -24.6398 -24.6364 -24.6364 -8.3559 -8.3559 -8.3164 -8.3164 -8.1109 -8.1109 -8.0743 -8.0743 -8.0135 -8.0135 -8.0083 -8.0083 -5.7101 -5.7101 -4.6742 -4.6742 0.9555 0.9555 1.3485 1.3485 2.4311 2.4311 3.1770 3.1770 3.5400 3.5400 3.7835 3.7835 3.9564 3.9564 4.3792 4.3792 5.1444 5.1444 5.5089 5.5089 8.2084 8.2084 8.7657 8.7657 9.2887 9.2887 9.8820 9.8820 k = 0.2740-0.3181 0.2095 ( 4825 PWs) bands (ev): -24.6396 -24.6396 -24.6366 -24.6366 -8.3573 -8.3573 -8.3181 -8.3181 -8.1105 -8.1105 -8.0763 -8.0763 -8.0135 -8.0135 -8.0077 -8.0077 -5.7029 -5.7029 -4.6703 -4.6703 0.9466 0.9466 1.3460 1.3460 2.4311 2.4311 3.1485 3.1485 3.5344 3.5344 3.7554 3.7554 3.9791 3.9791 4.3937 4.3937 5.1489 5.1489 5.5236 5.5236 8.2162 8.2162 8.8135 8.8135 9.3830 9.3830 9.8525 9.8525 k = 0.2864-0.3325 0.2190 ( 4823 PWs) bands (ev): -24.6394 -24.6394 -24.6368 -24.6368 -8.3588 -8.3588 -8.3199 -8.3199 -8.1101 -8.1101 -8.0783 -8.0783 -8.0135 -8.0135 -8.0069 -8.0069 -5.6966 -5.6966 -4.6649 -4.6649 0.9340 0.9340 1.3426 1.3426 2.4317 2.4317 3.1193 3.1193 3.5273 3.5273 3.7261 3.7261 4.0099 4.0099 4.4110 4.4110 5.1550 5.1550 5.5403 5.5403 8.2262 8.2262 8.8625 8.8625 9.4743 9.4743 9.8215 9.8215 k = 0.2989-0.3470 0.2286 ( 4827 PWs) bands (ev): -24.6392 -24.6392 -24.6370 -24.6370 -8.3602 -8.3602 -8.3217 -8.3217 -8.1096 -8.1096 -8.0802 -8.0802 -8.0136 -8.0136 -8.0060 -8.0060 -5.6911 -5.6911 -4.6582 -4.6582 0.9178 0.9178 1.3386 1.3386 2.4330 2.4330 3.0895 3.0895 3.5188 3.5188 3.6999 3.6999 4.0431 4.0431 4.4316 4.4316 5.1632 5.1632 5.5587 5.5587 8.2383 8.2383 8.9126 8.9126 9.5598 9.5598 9.7908 9.7908 k = 0.3113-0.3614 0.2381 ( 4827 PWs) bands (ev): -24.6390 -24.6390 -24.6372 -24.6372 -8.3616 -8.3616 -8.3235 -8.3235 -8.1092 -8.1092 -8.0820 -8.0820 -8.0137 -8.0137 -8.0050 -8.0050 -5.6865 -5.6865 -4.6504 -4.6504 0.8984 0.8984 1.3342 1.3342 2.4351 2.4351 3.0591 3.0591 3.5090 3.5090 3.6781 3.6781 4.0759 4.0759 4.4560 4.4560 5.1738 5.1738 5.5785 5.5785 8.2522 8.2522 8.9635 8.9635 9.6296 9.6296 9.7684 9.7684 k = 0.3238-0.3759 0.2476 ( 4833 PWs) bands (ev): -24.6389 -24.6389 -24.6374 -24.6374 -8.3630 -8.3630 -8.3253 -8.3253 -8.1087 -8.1087 -8.0837 -8.0837 -8.0139 -8.0139 -8.0041 -8.0041 -5.6828 -5.6828 -4.6416 -4.6416 0.8760 0.8760 1.3297 1.3297 2.4382 2.4382 3.0282 3.0282 3.4982 3.4982 3.6609 3.6609 4.1065 4.1065 4.4841 4.4841 5.1872 5.1872 5.5994 5.5994 8.2678 8.2678 9.0153 9.0153 9.6514 9.6514 9.7834 9.7834 k = 0.3362-0.3903 0.2571 ( 4829 PWs) bands (ev): -24.6387 -24.6387 -24.6375 -24.6375 -8.3643 -8.3643 -8.3272 -8.3272 -8.1082 -8.1082 -8.0854 -8.0854 -8.0140 -8.0140 -8.0031 -8.0031 -5.6798 -5.6798 -4.6320 -4.6320 0.8512 0.8512 1.3254 1.3254 2.4422 2.4422 2.9968 2.9968 3.4870 3.4870 3.6476 3.6476 4.1336 4.1336 4.5156 4.5156 5.2041 5.2041 5.6209 5.6209 8.2850 8.2850 9.0676 9.0676 9.6228 9.6228 9.8306 9.8306 k = 0.3487-0.4048 0.2667 ( 4825 PWs) bands (ev): -24.6385 -24.6385 -24.6377 -24.6377 -8.3655 -8.3655 -8.3290 -8.3290 -8.1078 -8.1078 -8.0869 -8.0869 -8.0141 -8.0141 -8.0021 -8.0021 -5.6775 -5.6775 -4.6217 -4.6217 0.8246 0.8246 1.3214 1.3214 2.4473 2.4473 2.9652 2.9652 3.4759 3.4759 3.6376 3.6376 4.1568 4.1568 4.5494 4.5494 5.2252 5.2252 5.6429 5.6429 8.3033 8.3033 9.1202 9.1202 9.5765 9.5765 9.8592 9.8592 k = 0.3611-0.4193 0.2762 ( 4827 PWs) bands (ev): -24.6384 -24.6384 -24.6378 -24.6378 -8.3666 -8.3666 -8.3307 -8.3307 -8.1073 -8.1073 -8.0884 -8.0884 -8.0142 -8.0142 -8.0011 -8.0011 -5.6759 -5.6759 -4.6110 -4.6110 0.7968 0.7968 1.3177 1.3177 2.4535 2.4535 2.9335 2.9335 3.4655 3.4655 3.6301 3.6301 4.1762 4.1762 4.5838 4.5838 5.2508 5.2508 5.6650 5.6650 8.3224 8.3224 9.1728 9.1728 9.5223 9.5223 9.8414 9.8414 k = 0.3736-0.4337 0.2857 ( 4827 PWs) bands (ev): -24.6382 -24.6382 -24.6380 -24.6380 -8.3676 -8.3676 -8.3325 -8.3325 -8.1069 -8.1069 -8.0898 -8.0898 -8.0143 -8.0143 -8.0002 -8.0002 -5.6747 -5.6747 -4.6002 -4.6002 0.7686 0.7686 1.3145 1.3145 2.4609 2.4609 2.9019 2.9019 3.4561 3.4561 3.6244 3.6244 4.1921 4.1921 4.6173 4.6173 5.2812 5.2812 5.6867 5.6867 8.3421 8.3421 9.2251 9.2251 9.4628 9.4628 9.7943 9.7943 k = 0.3860-0.4482 0.2952 ( 4828 PWs) bands (ev): -24.6381 -24.6381 -24.6381 -24.6381 -8.3685 -8.3685 -8.3342 -8.3342 -8.1065 -8.1065 -8.0910 -8.0910 -8.0144 -8.0144 -7.9993 -7.9993 -5.6740 -5.6740 -4.5894 -4.5894 0.7406 0.7406 1.3117 1.3117 2.4696 2.4696 2.8707 2.8707 3.4477 3.4477 3.6200 3.6200 4.2051 4.2051 4.6484 4.6484 5.3164 5.3164 5.7078 5.7078 8.3618 8.3618 9.2765 9.2765 9.4000 9.4000 9.7395 9.7395 k = 0.3985-0.4626 0.3048 ( 4824 PWs) bands (ev): -24.6382 -24.6382 -24.6380 -24.6380 -8.3692 -8.3692 -8.3358 -8.3358 -8.1061 -8.1061 -8.0921 -8.0921 -8.0145 -8.0145 -7.9985 -7.9985 -5.6737 -5.6737 -4.5790 -4.5790 0.7135 0.7135 1.3093 1.3093 2.4795 2.4795 2.8399 2.8399 3.4404 3.4404 3.6167 3.6167 4.2155 4.2155 4.6759 4.6759 5.3556 5.3556 5.7279 5.7279 8.3813 8.3813 9.3213 9.3213 9.3406 9.3406 9.6853 9.6853 k = 0.3985-0.4626 0.3048 ( 4824 PWs) bands (ev): -24.6382 -24.6382 -24.6380 -24.6380 -8.3692 -8.3692 -8.3358 -8.3358 -8.1061 -8.1061 -8.0921 -8.0921 -8.0145 -8.0145 -7.9985 -7.9985 -5.6737 -5.6737 -4.5790 -4.5790 0.7135 0.7135 1.3093 1.3093 2.4795 2.4795 2.8399 2.8399 3.4404 3.4404 3.6167 3.6167 4.2155 4.2155 4.6759 4.6759 5.3556 5.3556 5.7279 5.7279 8.3813 8.3813 9.3213 9.3213 9.3406 9.3406 9.6853 9.6853 k = 0.4036-0.4432 0.2991 ( 4824 PWs) bands (ev): -24.6382 -24.6382 -24.6380 -24.6380 -8.3687 -8.3687 -8.3349 -8.3349 -8.1062 -8.1062 -8.0915 -8.0915 -8.0145 -8.0145 -7.9990 -7.9990 -5.6741 -5.6741 -4.5853 -4.5853 0.7296 0.7296 1.3107 1.3107 2.4736 2.4736 2.8587 2.8587 3.4447 3.4447 3.6185 3.6185 4.2097 4.2097 4.6599 4.6599 5.3318 5.3318 5.7157 5.7157 8.3696 8.3696 9.2981 9.2981 9.3742 9.3742 9.7145 9.7145 k = 0.4086-0.4239 0.2934 ( 4825 PWs) bands (ev): -24.6384 -24.6384 -24.6378 -24.6378 -8.3678 -8.3678 -8.3339 -8.3339 -8.1064 -8.1064 -8.0908 -8.0908 -8.0145 -8.0145 -7.9995 -7.9995 -5.6750 -5.6750 -4.5918 -4.5918 0.7464 0.7464 1.3122 1.3122 2.4688 2.4688 2.8788 2.8788 3.4496 3.4496 3.6205 3.6205 4.2033 4.2033 4.6425 4.6425 5.3091 5.3091 5.7024 5.7024 8.3573 8.3573 9.2721 9.2721 9.4123 9.4123 9.7393 9.7393 k = 0.4137-0.4045 0.2877 ( 4817 PWs) bands (ev): -24.6385 -24.6385 -24.6377 -24.6377 -8.3667 -8.3667 -8.3329 -8.3329 -8.1064 -8.1064 -8.0902 -8.0902 -8.0146 -8.0146 -8.0001 -8.0001 -5.6764 -5.6764 -4.5985 -4.5985 0.7636 0.7636 1.3139 1.3139 2.4647 2.4647 2.8999 2.8999 3.4550 3.4550 3.6228 3.6228 4.1963 4.1963 4.6236 4.6236 5.2878 5.2878 5.6881 5.6881 8.3448 8.3448 9.2479 9.2479 9.4500 9.4500 9.7596 9.7596 k = 0.4188-0.3851 0.2820 ( 4811 PWs) bands (ev): -24.6386 -24.6386 -24.6375 -24.6375 -8.3654 -8.3654 -8.3318 -8.3318 -8.1063 -8.1063 -8.0896 -8.0896 -8.0147 -8.0147 -8.0007 -8.0007 -5.6783 -5.6783 -4.6054 -4.6054 0.7811 0.7811 1.3157 1.3157 2.4615 2.4615 2.9218 2.9218 3.4608 3.4608 3.6257 3.6257 4.1887 4.1887 4.6033 4.6033 5.2680 5.2680 5.6729 5.6729 8.3320 8.3320 9.2253 9.2253 9.4866 9.4866 9.7755 9.7755 k = 0.4239-0.3657 0.2764 ( 4813 PWs) bands (ev): -24.6388 -24.6388 -24.6374 -24.6374 -8.3639 -8.3639 -8.3309 -8.3309 -8.1062 -8.1062 -8.0890 -8.0890 -8.0148 -8.0148 -8.0014 -8.0014 -5.6805 -5.6805 -4.6124 -4.6124 0.7987 0.7987 1.3177 1.3177 2.4591 2.4591 2.9444 2.9444 3.4667 3.4667 3.6292 3.6292 4.1806 4.1806 4.5818 4.5818 5.2499 5.2499 5.6570 5.6570 8.3192 8.3192 9.2042 9.2042 9.5213 9.5213 9.7867 9.7867 k = 0.4289-0.3463 0.2707 ( 4815 PWs) bands (ev): -24.6389 -24.6389 -24.6373 -24.6373 -8.3621 -8.3621 -8.3299 -8.3299 -8.1060 -8.1060 -8.0885 -8.0885 -8.0150 -8.0150 -8.0020 -8.0020 -5.6830 -5.6830 -4.6193 -4.6193 0.8162 0.8162 1.3199 1.3199 2.4573 2.4573 2.9674 2.9674 3.4724 3.4724 3.6338 3.6338 4.1719 4.1719 4.5592 4.5592 5.2333 5.2333 5.6406 5.6406 8.3065 8.3065 9.1844 9.1844 9.5527 9.5527 9.7921 9.7921 k = 0.4340-0.3269 0.2650 ( 4812 PWs) bands (ev): -24.6390 -24.6390 -24.6371 -24.6371 -8.3602 -8.3602 -8.3290 -8.3290 -8.1057 -8.1057 -8.0880 -8.0880 -8.0152 -8.0152 -8.0027 -8.0027 -5.6857 -5.6857 -4.6262 -4.6262 0.8334 0.8334 1.3222 1.3222 2.4561 2.4561 2.9906 2.9906 3.4777 3.4777 3.6396 3.6396 4.1628 4.1628 4.5357 4.5357 5.2185 5.2185 5.6237 5.6237 8.2941 8.2941 9.1655 9.1655 9.5790 9.5790 9.7898 9.7898 k = 0.4391-0.3075 0.2593 ( 4813 PWs) bands (ev): -24.6391 -24.6391 -24.6370 -24.6370 -8.3582 -8.3582 -8.3282 -8.3282 -8.1053 -8.1053 -8.0876 -8.0876 -8.0153 -8.0153 -8.0035 -8.0035 -5.6886 -5.6886 -4.6329 -4.6329 0.8502 0.8502 1.3248 1.3248 2.4554 2.4554 3.0138 3.0138 3.4821 3.4821 3.6471 3.6471 4.1533 4.1533 4.5116 4.5116 5.2052 5.2052 5.6068 5.6068 8.2821 8.2821 9.1474 9.1474 9.5977 9.5977 9.7803 9.7803 k = 0.4442-0.2882 0.2537 ( 4810 PWs) bands (ev): -24.6392 -24.6392 -24.6369 -24.6369 -8.3561 -8.3561 -8.3275 -8.3275 -8.1049 -8.1049 -8.0873 -8.0873 -8.0155 -8.0155 -8.0042 -8.0042 -5.6917 -5.6917 -4.6394 -4.6394 0.8663 0.8663 1.3274 1.3274 2.4551 2.4551 3.0367 3.0367 3.4852 3.4852 3.6565 3.6565 4.1436 4.1436 4.4869 4.4869 5.1935 5.1935 5.5899 5.5899 8.2706 8.2706 9.1298 9.1298 9.6068 9.6068 9.7687 9.7687 k = 0.4492-0.2688 0.2480 ( 4812 PWs) bands (ev): -24.6393 -24.6393 -24.6368 -24.6368 -8.3538 -8.3538 -8.3270 -8.3270 -8.1044 -8.1044 -8.0871 -8.0871 -8.0156 -8.0156 -8.0050 -8.0050 -5.6947 -5.6947 -4.6455 -4.6455 0.8815 0.8815 1.3302 1.3302 2.4552 2.4552 3.0591 3.0591 3.4870 3.4870 3.6679 3.6679 4.1339 4.1339 4.4620 4.4620 5.1833 5.1833 5.5733 5.5733 8.2598 8.2598 9.1127 9.1127 9.6064 9.6064 9.7593 9.7593 k = 0.4543-0.2494 0.2423 ( 4817 PWs) bands (ev): -24.6394 -24.6394 -24.6368 -24.6368 -8.3516 -8.3516 -8.3265 -8.3265 -8.1038 -8.1038 -8.0869 -8.0869 -8.0156 -8.0156 -8.0058 -8.0058 -5.6977 -5.6977 -4.6513 -4.6513 0.8958 0.8958 1.3330 1.3330 2.4555 2.4555 3.0807 3.0807 3.4871 3.4871 3.6813 3.6813 4.1243 4.1243 4.4370 4.4370 5.1744 5.1744 5.5573 5.5573 8.2497 8.2497 9.0961 9.0961 9.5993 9.5993 9.7524 9.7524 k = 0.4594-0.2300 0.2366 ( 4821 PWs) bands (ev): -24.6395 -24.6395 -24.6367 -24.6367 -8.3493 -8.3493 -8.3262 -8.3262 -8.1032 -8.1032 -8.0869 -8.0869 -8.0156 -8.0156 -8.0066 -8.0066 -5.7006 -5.7006 -4.6567 -4.6567 0.9088 0.9088 1.3358 1.3358 2.4560 2.4560 3.1014 3.1014 3.4857 3.4857 3.6963 3.6963 4.1152 4.1152 4.4123 4.4123 5.1668 5.1668 5.5422 5.5422 8.2404 8.2404 9.0801 9.0801 9.5891 9.5891 9.7468 9.7468 k = 0.4645-0.2106 0.2309 ( 4813 PWs) bands (ev): -24.6396 -24.6396 -24.6366 -24.6366 -8.3470 -8.3470 -8.3261 -8.3261 -8.1025 -8.1025 -8.0869 -8.0869 -8.0156 -8.0156 -8.0075 -8.0075 -5.7033 -5.7033 -4.6616 -4.6616 0.9207 0.9207 1.3386 1.3386 2.4566 2.4566 3.1208 3.1208 3.4829 3.4829 3.7125 3.7125 4.1068 4.1068 4.3882 4.3882 5.1604 5.1604 5.5281 5.5281 8.2321 8.2321 9.0650 9.0650 9.5785 9.5785 9.7415 9.7415 k = 0.4695-0.1912 0.2253 ( 4818 PWs) bands (ev): -24.6397 -24.6397 -24.6365 -24.6365 -8.3449 -8.3449 -8.3261 -8.3261 -8.1019 -8.1019 -8.0870 -8.0870 -8.0154 -8.0154 -8.0083 -8.0083 -5.7057 -5.7057 -4.6660 -4.6660 0.9311 0.9311 1.3412 1.3412 2.4572 2.4572 3.1388 3.1388 3.4792 3.4792 3.7293 3.7293 4.0992 4.0992 4.3650 4.3650 5.1551 5.1551 5.5153 5.5153 8.2247 8.2247 9.0510 9.0510 9.5688 9.5688 9.7364 9.7364 k = 0.4746-0.1718 0.2196 ( 4814 PWs) bands (ev): -24.6397 -24.6397 -24.6365 -24.6365 -8.3428 -8.3428 -8.3262 -8.3262 -8.1012 -8.1012 -8.0872 -8.0872 -8.0152 -8.0152 -8.0091 -8.0091 -5.7079 -5.7079 -4.6698 -4.6698 0.9401 0.9401 1.3436 1.3436 2.4579 2.4579 3.1550 3.1550 3.4747 3.4747 3.7458 3.7458 4.0928 4.0928 4.3434 4.3434 5.1507 5.1507 5.5040 5.5040 8.2184 8.2184 9.0384 9.0384 9.5606 9.5606 9.7315 9.7315 k = 0.4797-0.1524 0.2139 ( 4809 PWs) bands (ev): -24.6398 -24.6398 -24.6364 -24.6364 -8.3409 -8.3409 -8.3265 -8.3265 -8.1006 -8.1006 -8.0874 -8.0874 -8.0149 -8.0149 -8.0099 -8.0099 -5.7098 -5.7098 -4.6729 -4.6729 0.9475 0.9475 1.3458 1.3458 2.4585 2.4585 3.1690 3.1690 3.4700 3.4700 3.7612 3.7612 4.0877 4.0877 4.3239 4.3239 5.1473 5.1473 5.4945 5.4945 8.2132 8.2132 9.0276 9.0276 9.5542 9.5542 9.7270 9.7270 k = 0.4848-0.1331 0.2082 ( 4810 PWs) bands (ev): -24.6398 -24.6398 -24.6364 -24.6364 -8.3392 -8.3392 -8.3269 -8.3269 -8.1000 -8.1000 -8.0877 -8.0877 -8.0145 -8.0145 -8.0107 -8.0107 -5.7112 -5.7112 -4.6754 -4.6754 0.9533 0.9533 1.3475 1.3475 2.4590 2.4590 3.1805 3.1805 3.4656 3.4656 3.7745 3.7745 4.0839 4.0839 4.3073 4.3073 5.1448 5.1448 5.4869 5.4869 8.2090 8.2090 9.0189 9.0189 9.5494 9.5494 9.7233 9.7233 k = 0.4898-0.1137 0.2025 ( 4808 PWs) bands (ev): -24.6399 -24.6399 -24.6363 -24.6363 -8.3379 -8.3379 -8.3274 -8.3274 -8.0996 -8.0996 -8.0879 -8.0879 -8.0141 -8.0141 -8.0114 -8.0114 -5.7123 -5.7123 -4.6772 -4.6772 0.9574 0.9574 1.3488 1.3488 2.4594 2.4594 3.1892 3.1892 3.4620 3.4620 3.7848 3.7848 4.0814 4.0814 4.2945 4.2945 5.1430 5.1430 5.4814 5.4814 8.2061 8.2061 9.0124 9.0124 9.5461 9.5461 9.7205 9.7205 k = 0.4949-0.0943 0.1969 ( 4807 PWs) bands (ev): -24.6399 -24.6399 -24.6363 -24.6363 -8.3370 -8.3370 -8.3277 -8.3277 -8.0993 -8.0993 -8.0880 -8.0880 -8.0136 -8.0136 -8.0120 -8.0120 -5.7130 -5.7130 -4.6782 -4.6782 0.9599 0.9599 1.3496 1.3496 2.4597 2.4597 3.1945 3.1945 3.4596 3.4596 3.7914 3.7914 4.0800 4.0800 4.2864 4.2864 5.1419 5.1419 5.4780 5.4780 8.2043 8.2043 9.0085 9.0085 9.5441 9.5441 9.7187 9.7187 k = 0.5000-0.0749 0.1912 ( 4806 PWs) bands (ev): -24.6399 -24.6399 -24.6363 -24.6363 -8.3366 -8.3366 -8.3278 -8.3278 -8.0992 -8.0992 -8.0881 -8.0881 -8.0134 -8.0134 -8.0124 -8.0124 -5.7132 -5.7132 -4.6786 -4.6786 0.9608 0.9608 1.3499 1.3499 2.4598 2.4598 3.1963 3.1963 3.4587 3.4587 3.7936 3.7936 4.0796 4.0796 4.2836 4.2836 5.1415 5.1415 5.4769 5.4769 8.2037 8.2037 9.0072 9.0072 9.5435 9.5435 9.7181 9.7181 k = 0.5000-0.0749 0.1912 ( 4806 PWs) bands (ev): -24.6399 -24.6399 -24.6363 -24.6363 -8.3366 -8.3366 -8.3278 -8.3278 -8.0992 -8.0992 -8.0881 -8.0881 -8.0134 -8.0134 -8.0124 -8.0124 -5.7132 -5.7132 -4.6786 -4.6786 0.9608 0.9608 1.3499 1.3499 2.4598 2.4598 3.1963 3.1963 3.4587 3.4587 3.7936 3.7936 4.0796 4.0796 4.2836 4.2836 5.1415 5.1415 5.4769 5.4769 8.2037 8.2037 9.0072 9.0072 9.5435 9.5435 9.7181 9.7181 k = 0.4938-0.0676 0.2104 ( 4812 PWs) bands (ev): -24.6399 -24.6399 -24.6363 -24.6363 -8.3367 -8.3367 -8.3279 -8.3279 -8.0992 -8.0992 -8.0880 -8.0880 -8.0137 -8.0137 -8.0124 -8.0124 -5.7121 -5.7121 -4.6785 -4.6785 0.9621 0.9621 1.3498 1.3498 2.4604 2.4604 3.1910 3.1910 3.4629 3.4629 3.7877 3.7877 4.0824 4.0824 4.2840 4.2840 5.1401 5.1401 5.4776 5.4776 8.1886 8.1886 9.0082 9.0082 9.5466 9.5466 9.7194 9.7194 k = 0.4875-0.0604 0.2296 ( 4810 PWs) bands (ev): -24.6398 -24.6398 -24.6362 -24.6362 -8.3367 -8.3367 -8.3279 -8.3279 -8.0992 -8.0992 -8.0879 -8.0879 -8.0147 -8.0147 -8.0128 -8.0128 -5.7086 -5.7086 -4.6783 -4.6783 0.9661 0.9661 1.3495 1.3495 2.4622 2.4622 3.1762 3.1762 3.4737 3.4737 3.7708 3.7708 4.0902 4.0902 4.2853 4.2853 5.1358 5.1358 5.4795 5.4795 8.1448 8.1448 9.0110 9.0110 9.5556 9.5556 9.7228 9.7228 k = 0.4813-0.0531 0.2488 ( 4810 PWs) bands (ev): -24.6397 -24.6397 -24.6361 -24.6361 -8.3368 -8.3368 -8.3279 -8.3279 -8.0991 -8.0991 -8.0876 -8.0876 -8.0161 -8.0161 -8.0135 -8.0135 -5.7029 -5.7029 -4.6778 -4.6778 0.9726 0.9726 1.3491 1.3491 2.4653 2.4653 3.1543 3.1543 3.4869 3.4869 3.7458 3.7458 4.1017 4.1017 4.2883 4.2883 5.1289 5.1289 5.4824 5.4824 8.0763 8.0763 9.0156 9.0156 9.5702 9.5702 9.7275 9.7275 k = 0.4750-0.0459 0.2679 ( 4816 PWs) bands (ev): -24.6396 -24.6396 -24.6360 -24.6360 -8.3369 -8.3369 -8.3279 -8.3279 -8.0990 -8.0990 -8.0873 -8.0873 -8.0180 -8.0180 -8.0147 -8.0147 -5.6950 -5.6950 -4.6772 -4.6772 0.9817 0.9817 1.3488 1.3488 2.4694 2.4694 3.1276 3.1276 3.4958 3.4958 3.7183 3.7183 4.1154 4.1154 4.2936 4.2936 5.1199 5.1199 5.4856 5.4856 7.9882 7.9882 9.0216 9.0216 9.5894 9.5894 9.7328 9.7328 k = 0.4688-0.0386 0.2871 ( 4812 PWs) bands (ev): -24.6394 -24.6394 -24.6358 -24.6358 -8.3370 -8.3370 -8.3279 -8.3279 -8.0989 -8.0989 -8.0868 -8.0868 -8.0202 -8.0202 -8.0161 -8.0161 -5.6848 -5.6848 -4.6764 -4.6764 0.9933 0.9933 1.3488 1.3488 2.4745 2.4745 3.0977 3.0977 3.4903 3.4903 3.6975 3.6975 4.1304 4.1304 4.3021 4.3021 5.1091 5.1091 5.4888 5.4888 7.8857 7.8857 9.0288 9.0288 9.6122 9.6122 9.7383 9.7383 k = 0.4625-0.0314 0.3063 ( 4804 PWs) bands (ev): -24.6391 -24.6391 -24.6356 -24.6356 -8.3372 -8.3372 -8.3280 -8.3280 -8.0988 -8.0988 -8.0863 -8.0863 -8.0229 -8.0229 -8.0179 -8.0179 -5.6724 -5.6724 -4.6755 -4.6755 1.0071 1.0071 1.3492 1.3492 2.4804 2.4804 3.0655 3.0655 3.4613 3.4613 3.6926 3.6926 4.1460 4.1460 4.3140 4.3140 5.0968 5.0968 5.4913 5.4913 7.7734 7.7734 9.0367 9.0367 9.6373 9.6373 9.7439 9.7439 k = 0.4562-0.0241 0.3255 ( 4806 PWs) bands (ev): -24.6389 -24.6389 -24.6354 -24.6354 -8.3375 -8.3375 -8.3281 -8.3281 -8.0987 -8.0987 -8.0857 -8.0857 -8.0259 -8.0259 -8.0201 -8.0201 -5.6578 -5.6578 -4.6744 -4.6744 1.0231 1.0231 1.3505 1.3505 2.4869 2.4869 3.0313 3.0313 3.4095 3.4095 3.7033 3.7033 4.1622 4.1622 4.3296 4.3296 5.0833 5.0833 5.4929 5.4929 7.6551 7.6551 9.0450 9.0450 9.6633 9.6633 9.7500 9.7500 k = 0.4500-0.0168 0.3447 ( 4802 PWs) bands (ev): -24.6386 -24.6386 -24.6351 -24.6351 -8.3378 -8.3378 -8.3283 -8.3283 -8.0986 -8.0986 -8.0851 -8.0851 -8.0292 -8.0292 -8.0225 -8.0225 -5.6411 -5.6411 -4.6732 -4.6732 1.0410 1.0410 1.3531 1.3531 2.4937 2.4937 2.9946 2.9946 3.3431 3.3431 3.7229 3.7229 4.1789 4.1789 4.3483 4.3483 5.0688 5.0688 5.4931 5.4931 7.5341 7.5341 9.0531 9.0531 9.6885 9.6885 9.7570 9.7570 k = 0.4437-0.0096 0.3639 ( 4804 PWs) bands (ev): -24.6383 -24.6383 -24.6348 -24.6348 -8.3382 -8.3382 -8.3285 -8.3285 -8.0986 -8.0986 -8.0844 -8.0844 -8.0328 -8.0328 -8.0251 -8.0251 -5.6223 -5.6223 -4.6719 -4.6719 1.0605 1.0605 1.3574 1.3574 2.5002 2.5002 2.9542 2.9542 3.2695 3.2695 3.7462 3.7462 4.1964 4.1964 4.3699 4.3699 5.0532 5.0532 5.4917 5.4917 7.4129 7.4129 9.0603 9.0603 9.7114 9.7114 9.7655 9.7655 k = 0.4375-0.0023 0.3831 ( 4808 PWs) bands (ev): -24.6380 -24.6380 -24.6345 -24.6345 -8.3386 -8.3386 -8.3289 -8.3289 -8.0986 -8.0986 -8.0837 -8.0837 -8.0365 -8.0365 -8.0278 -8.0278 -5.6015 -5.6015 -4.6705 -4.6705 1.0813 1.0813 1.3640 1.3640 2.5060 2.5060 2.9075 2.9075 3.1955 3.1955 3.7705 3.7705 4.2143 4.2143 4.3938 4.3938 5.0367 5.0367 5.4886 5.4886 7.2938 7.2938 9.0658 9.0658 9.7309 9.7309 9.7760 9.7760 k = 0.4313 0.0049 0.4023 ( 4806 PWs) bands (ev): -24.6376 -24.6376 -24.6341 -24.6341 -8.3391 -8.3391 -8.3293 -8.3293 -8.0987 -8.0987 -8.0830 -8.0830 -8.0405 -8.0405 -8.0307 -8.0307 -5.5786 -5.5786 -4.6690 -4.6690 1.1028 1.1028 1.3735 1.3735 2.5102 2.5102 2.8506 2.8506 3.1281 3.1281 3.7943 3.7943 4.2321 4.2321 4.4199 4.4199 5.0191 5.0191 5.4836 5.4836 7.1788 7.1788 9.0689 9.0689 9.7470 9.7470 9.7875 9.7875 k = 0.4250 0.0122 0.4214 ( 4804 PWs) bands (ev): -24.6372 -24.6372 -24.6337 -24.6337 -8.3398 -8.3398 -8.3298 -8.3298 -8.0990 -8.0990 -8.0824 -8.0824 -8.0445 -8.0445 -8.0335 -8.0335 -5.5539 -5.5539 -4.6674 -4.6674 1.1246 1.1246 1.3865 1.3865 2.5111 2.5111 2.7808 2.7808 3.0733 3.0733 3.8170 3.8170 4.2485 4.2485 4.4479 4.4479 5.0006 5.0006 5.4765 5.4765 7.0697 7.0697 9.0686 9.0686 9.7610 9.7610 9.7981 9.7981 k = 0.4188 0.0194 0.4406 ( 4808 PWs) bands (ev): -24.6368 -24.6368 -24.6333 -24.6333 -8.3405 -8.3405 -8.3305 -8.3305 -8.0994 -8.0994 -8.0818 -8.0818 -8.0485 -8.0485 -8.0363 -8.0363 -5.5273 -5.5273 -4.6657 -4.6657 1.1462 1.1462 1.4038 1.4038 2.5054 2.5054 2.7008 2.7008 3.0333 3.0333 3.8380 3.8380 4.2618 4.2618 4.4783 4.4783 4.9810 4.9810 5.4675 5.4675 6.9682 6.9682 9.0640 9.0640 9.7736 9.7736 9.8069 9.8069 k = 0.4125 0.0267 0.4598 ( 4810 PWs) bands (ev): -24.6363 -24.6363 -24.6328 -24.6328 -8.3413 -8.3413 -8.3314 -8.3314 -8.1000 -8.1000 -8.0815 -8.0815 -8.0524 -8.0524 -8.0389 -8.0389 -5.4990 -5.4990 -4.6640 -4.6640 1.1672 1.1672 1.4256 1.4256 2.4827 2.4827 2.6235 2.6235 3.0065 3.0065 3.8575 3.8575 4.2701 4.2701 4.5110 4.5110 4.9605 4.9605 5.4563 5.4563 6.8759 6.8759 9.0545 9.0545 9.7815 9.7815 9.8164 9.8164 k = 0.4062 0.0339 0.4790 ( 4810 PWs) bands (ev): -24.6359 -24.6359 -24.6324 -24.6324 -8.3423 -8.3423 -8.3324 -8.3324 -8.1008 -8.1008 -8.0814 -8.0814 -8.0561 -8.0561 -8.0414 -8.0414 -5.4691 -5.4691 -4.6623 -4.6623 1.1875 1.1875 1.4523 1.4523 2.4222 2.4222 2.5733 2.5733 2.9905 2.9905 3.8752 3.8752 4.2716 4.2716 4.5461 4.5461 4.9394 4.9394 5.4430 5.4430 6.7942 6.7942 9.0393 9.0393 9.7793 9.7793 9.8323 9.8323 k = 0.4000 0.0412 0.4982 ( 4810 PWs) bands (ev): -24.6354 -24.6354 -24.6319 -24.6319 -8.3434 -8.3434 -8.3335 -8.3335 -8.1019 -8.1019 -8.0818 -8.0818 -8.0592 -8.0592 -8.0435 -8.0435 -5.4376 -5.4376 -4.6606 -4.6606 1.2071 1.2071 1.4837 1.4837 2.3275 2.3275 2.5496 2.5496 2.9834 2.9834 3.8915 3.8915 4.2647 4.2647 4.5827 4.5827 4.9184 4.9184 5.4277 5.4277 6.7245 6.7245 9.0183 9.0183 9.7663 9.7663 9.8549 9.8549 k = 0.3937 0.0485 0.5174 ( 4812 PWs) bands (ev): -24.6349 -24.6349 -24.6314 -24.6314 -8.3446 -8.3446 -8.3349 -8.3349 -8.1033 -8.1033 -8.0828 -8.0828 -8.0617 -8.0617 -8.0453 -8.0453 -5.4047 -5.4047 -4.6588 -4.6588 1.2263 1.2263 1.5193 1.5193 2.2194 2.2194 2.5342 2.5342 2.9836 2.9836 3.9063 3.9063 4.2485 4.2485 4.6188 4.6188 4.8989 4.8989 5.4102 5.4102 6.6677 6.6677 8.9913 8.9913 9.7445 9.7445 9.8825 9.8825 k = 0.3875 0.0557 0.5366 ( 4810 PWs) bands (ev): -24.6344 -24.6344 -24.6310 -24.6310 -8.3460 -8.3460 -8.3364 -8.3364 -8.1049 -8.1049 -8.0846 -8.0846 -8.0634 -8.0634 -8.0467 -8.0467 -5.3705 -5.3705 -4.6571 -4.6571 1.2456 1.2456 1.5579 1.5579 2.1074 2.1074 2.5200 2.5200 2.9901 2.9901 3.9197 3.9197 4.2228 4.2228 4.6507 4.6507 4.8840 4.8840 5.3908 5.3908 6.6245 6.6245 8.9587 8.9587 9.7148 9.7148 9.9139 9.9139 k = 0.3812 0.0630 0.5557 ( 4810 PWs) bands (ev): -24.6339 -24.6339 -24.6305 -24.6305 -8.3475 -8.3475 -8.3382 -8.3382 -8.1067 -8.1067 -8.0871 -8.0871 -8.0642 -8.0642 -8.0478 -8.0478 -5.3353 -5.3353 -4.6554 -4.6554 1.2652 1.2652 1.5972 1.5972 1.9970 1.9970 2.5053 2.5053 3.0017 3.0017 3.9312 3.9312 4.1879 4.1879 4.6716 4.6716 4.8797 4.8797 5.3695 5.3695 6.5950 6.5950 8.9207 8.9207 9.6780 9.6780 9.9483 9.9483 k = 0.3750 0.0702 0.5749 ( 4806 PWs) bands (ev): -24.6333 -24.6333 -24.6300 -24.6300 -8.3492 -8.3492 -8.3401 -8.3401 -8.1087 -8.1087 -8.0901 -8.0901 -8.0645 -8.0645 -8.0485 -8.0485 -5.2990 -5.2990 -4.6538 -4.6538 1.2857 1.2857 1.6304 1.6304 1.8963 1.8963 2.4899 2.4899 3.0175 3.0175 3.9399 3.9399 4.1457 4.1457 4.6746 4.6746 4.8919 4.8919 5.3466 5.3466 6.5790 6.5790 8.8779 8.8779 9.6347 9.6347 9.9841 9.9841 k = 0.3688 0.0775 0.5941 ( 4806 PWs) bands (ev): -24.6328 -24.6328 -24.6295 -24.6295 -8.3510 -8.3510 -8.3422 -8.3422 -8.1108 -8.1108 -8.0934 -8.0934 -8.0644 -8.0644 -8.0488 -8.0488 -5.2620 -5.2620 -4.6522 -4.6522 1.3072 1.3072 1.6337 1.6337 1.8299 1.8299 2.4741 2.4741 3.0366 3.0366 3.9428 3.9428 4.1001 4.1001 4.6592 4.6592 4.9200 4.9200 5.3228 5.3228 6.5758 6.5758 8.8309 8.8309 9.5856 9.5856 10.0155 10.0155 k = 0.3625 0.0847 0.6133 ( 4796 PWs) bands (ev): -24.6323 -24.6323 -24.6289 -24.6289 -8.3529 -8.3529 -8.3444 -8.3444 -8.1131 -8.1131 -8.0967 -8.0967 -8.0639 -8.0639 -8.0489 -8.0489 -5.2244 -5.2244 -4.6507 -4.6507 1.3295 1.3295 1.5755 1.5755 1.8303 1.8303 2.4582 2.4582 3.0583 3.0583 3.9310 3.9310 4.0611 4.0611 4.6307 4.6307 4.9572 4.9572 5.2990 5.2990 6.5844 6.5844 8.7804 8.7804 9.5313 9.5313 10.0031 10.0031 k = 0.3563 0.0920 0.6325 ( 4790 PWs) bands (ev): -24.6318 -24.6318 -24.6284 -24.6284 -8.3549 -8.3549 -8.3468 -8.3468 -8.1153 -8.1153 -8.1000 -8.1000 -8.0634 -8.0634 -8.0487 -8.0487 -5.1864 -5.1864 -4.6492 -4.6492 1.3500 1.3500 1.4863 1.4863 1.8702 1.8702 2.4428 2.4428 3.0819 3.0819 3.8927 3.8927 4.0422 4.0422 4.5935 4.5935 4.9967 4.9967 5.2772 5.2772 6.6036 6.6036 8.7270 8.7270 9.4728 9.4728 9.9410 9.9410 k = 0.3500 0.0992 0.6517 ( 4786 PWs) bands (ev): -24.6313 -24.6313 -24.6279 -24.6279 -8.3571 -8.3571 -8.3494 -8.3494 -8.1175 -8.1175 -8.1032 -8.1032 -8.0627 -8.0627 -8.0484 -8.0484 -5.1482 -5.1482 -4.6478 -4.6478 1.3417 1.3417 1.4197 1.4197 1.9230 1.9230 2.4283 2.4283 3.1065 3.1065 3.8314 3.8314 4.0412 4.0412 4.5502 4.5502 5.0315 5.0315 5.2614 5.2614 6.6320 6.6320 8.6716 8.6716 9.4114 9.4114 9.8774 9.8774 k = 0.3438 0.1065 0.6709 ( 4784 PWs) bands (ev): -24.6308 -24.6308 -24.6275 -24.6275 -8.3594 -8.3594 -8.3520 -8.3520 -8.1197 -8.1197 -8.1062 -8.1062 -8.0620 -8.0620 -8.0479 -8.0479 -5.1102 -5.1102 -4.6465 -4.6465 1.2592 1.2592 1.4293 1.4293 1.9806 1.9806 2.4156 2.4156 3.1315 3.1315 3.7585 3.7585 4.0485 4.0485 4.5020 4.5020 5.0532 5.0532 5.2588 5.2588 6.6683 6.6683 8.6146 8.6146 9.3485 9.3485 9.8187 9.8187 k = 0.3375 0.1138 0.6901 ( 4780 PWs) bands (ev): -24.6304 -24.6304 -24.6270 -24.6270 -8.3617 -8.3617 -8.3546 -8.3546 -8.1218 -8.1218 -8.1090 -8.1090 -8.0612 -8.0612 -8.0473 -8.0473 -5.0725 -5.0725 -4.6453 -4.6453 1.1619 1.1619 1.4584 1.4584 2.0398 2.0398 2.4056 2.4056 3.1560 3.1560 3.6805 3.6805 4.0594 4.0594 4.4497 4.4497 5.0548 5.0548 5.2752 5.2752 6.7109 6.7109 8.5569 8.5569 9.2855 9.2855 9.7656 9.7656 k = 0.3312 0.1210 0.7092 ( 4782 PWs) bands (ev): -24.6299 -24.6299 -24.6266 -24.6266 -8.3641 -8.3641 -8.3573 -8.3573 -8.1238 -8.1238 -8.1116 -8.1116 -8.0604 -8.0604 -8.0466 -8.0466 -5.0354 -5.0354 -4.6442 -4.6442 1.0657 1.0657 1.4925 1.4925 2.0977 2.0977 2.4001 2.4001 3.1786 3.1786 3.6012 3.6012 4.0723 4.0723 4.3938 4.3938 5.0385 5.0385 5.3081 5.3081 6.7586 6.7586 8.4991 8.4991 9.2237 9.2237 9.7177 9.7177 k = 0.3250 0.1283 0.7284 ( 4784 PWs) bands (ev): -24.6295 -24.6295 -24.6261 -24.6261 -8.3665 -8.3665 -8.3599 -8.3599 -8.1256 -8.1256 -8.1140 -8.1140 -8.0596 -8.0596 -8.0459 -8.0459 -4.9993 -4.9993 -4.6431 -4.6431 0.9732 0.9732 1.5298 1.5298 2.1503 2.1503 2.4024 2.4024 3.1968 3.1968 3.5245 3.5245 4.0862 4.0862 4.3348 4.3348 5.0112 5.0112 5.3502 5.3502 6.8101 6.8101 8.4419 8.4419 9.1642 9.1642 9.6745 9.6745 k = 0.3187 0.1355 0.7476 ( 4784 PWs) bands (ev): -24.6291 -24.6291 -24.6257 -24.6257 -8.3689 -8.3689 -8.3625 -8.3625 -8.1273 -8.1273 -8.1161 -8.1161 -8.0589 -8.0589 -8.0451 -8.0451 -4.9644 -4.9644 -4.6422 -4.6422 0.8855 0.8855 1.5700 1.5700 2.1924 2.1924 2.4171 2.4171 3.2059 3.2059 3.4565 3.4565 4.1004 4.1004 4.2738 4.2738 4.9781 4.9781 5.3961 5.3961 6.8640 6.8640 8.3860 8.3860 9.1079 9.1079 9.6356 9.6356 k = 0.3125 0.1428 0.7668 ( 4784 PWs) bands (ev): -24.6287 -24.6287 -24.6254 -24.6254 -8.3712 -8.3712 -8.3650 -8.3650 -8.1289 -8.1289 -8.1180 -8.1180 -8.0582 -8.0582 -8.0444 -8.0444 -4.9311 -4.9311 -4.6414 -4.6414 0.8033 0.8033 1.6128 1.6128 2.2191 2.2191 2.4480 2.4480 3.1967 3.1967 3.4075 3.4075 4.1116 4.1116 4.2139 4.2139 4.9417 4.9417 5.4428 5.4428 6.9191 6.9191 8.3320 8.3320 9.0554 9.0554 9.6007 9.6007 k = 0.3063 0.1500 0.7860 ( 4780 PWs) bands (ev): -24.6284 -24.6284 -24.6250 -24.6250 -8.3735 -8.3735 -8.3673 -8.3673 -8.1303 -8.1303 -8.1197 -8.1197 -8.0575 -8.0575 -8.0437 -8.0437 -4.8996 -4.8996 -4.6406 -4.6406 0.7271 0.7271 1.6581 1.6581 2.2315 2.2315 2.4927 2.4927 3.1626 3.1626 3.3858 3.3858 4.1023 4.1023 4.1732 4.1732 4.9036 4.9036 5.4888 5.4888 6.9742 6.9742 8.2807 8.2807 9.0072 9.0072 9.5696 9.5696 k = 0.3000 0.1573 0.8052 ( 4770 PWs) bands (ev): -24.6280 -24.6280 -24.6247 -24.6247 -8.3756 -8.3756 -8.3695 -8.3695 -8.1315 -8.1315 -8.1211 -8.1211 -8.0569 -8.0569 -8.0430 -8.0430 -4.8703 -4.8703 -4.6400 -4.6400 0.6574 0.6574 1.7055 1.7055 2.2345 2.2345 2.5437 2.5437 3.1123 3.1123 3.3849 3.3849 4.0498 4.0498 4.1749 4.1749 4.8647 4.8647 5.5329 5.5329 7.0280 7.0280 8.2328 8.2328 8.9637 8.9637 9.5420 9.5420 k = 0.2938 0.1645 0.8244 ( 4766 PWs) bands (ev): -24.6277 -24.6277 -24.6244 -24.6244 -8.3777 -8.3777 -8.3715 -8.3715 -8.1326 -8.1326 -8.1224 -8.1224 -8.0563 -8.0563 -8.0423 -8.0423 -4.8435 -4.8435 -4.6394 -4.6394 0.5948 0.5948 1.7549 1.7549 2.2323 2.2323 2.5921 2.5921 3.0622 3.0622 3.3932 3.3932 3.9820 3.9820 4.1912 4.1912 4.8260 4.8260 5.5741 5.5741 7.0792 7.0792 8.1889 8.1889 8.9251 8.9251 9.5178 9.5178 k = 0.2875 0.1718 0.8436 ( 4770 PWs) bands (ev): -24.6275 -24.6275 -24.6242 -24.6242 -8.3795 -8.3795 -8.3733 -8.3733 -8.1336 -8.1336 -8.1234 -8.1234 -8.0558 -8.0558 -8.0418 -8.0418 -4.8196 -4.8196 -4.6390 -4.6390 0.5396 0.5396 1.8056 1.8056 2.2275 2.2275 2.6276 2.6276 3.0268 3.0268 3.4039 3.4039 3.9110 3.9110 4.2110 4.2110 4.7881 4.7881 5.6117 5.6117 7.1266 7.1266 8.1497 8.1497 8.8915 8.8915 9.4970 9.4970 k = 0.2812 0.1791 0.8627 ( 4770 PWs) bands (ev): -24.6273 -24.6273 -24.6240 -24.6240 -8.3811 -8.3811 -8.3748 -8.3748 -8.1344 -8.1344 -8.1243 -8.1243 -8.0554 -8.0554 -8.0413 -8.0413 -4.7987 -4.7987 -4.6386 -4.6386 0.4923 0.4923 1.8570 1.8570 2.2210 2.2210 2.6396 2.6396 3.0184 3.0184 3.4136 3.4136 3.8397 3.8397 4.2318 4.2318 4.7519 4.7519 5.6450 5.6450 7.1689 7.1689 8.1159 8.1159 8.8631 8.8631 9.4795 9.4795 k = 0.2750 0.1863 0.8819 ( 4774 PWs) bands (ev): -24.6271 -24.6271 -24.6238 -24.6238 -8.3824 -8.3824 -8.3761 -8.3761 -8.1350 -8.1350 -8.1250 -8.1250 -8.0550 -8.0550 -8.0409 -8.0409 -4.7813 -4.7813 -4.6383 -4.6383 0.4530 0.4530 1.9081 1.9081 2.2131 2.2131 2.6259 2.6259 3.0402 3.0402 3.4200 3.4200 3.7709 3.7709 4.2525 4.2525 4.7185 4.7185 5.6733 5.6733 7.2052 7.2052 8.0879 8.0879 8.8398 8.8398 9.4652 9.4652 k = 0.2687 0.1936 0.9011 ( 4782 PWs) bands (ev): -24.6270 -24.6270 -24.6237 -24.6237 -8.3835 -8.3835 -8.3771 -8.3771 -8.1355 -8.1355 -8.1255 -8.1255 -8.0547 -8.0547 -8.0406 -8.0406 -4.7674 -4.7674 -4.6381 -4.6381 0.4222 0.4222 1.9569 1.9569 2.2039 2.2039 2.5970 2.5970 3.0826 3.0826 3.4210 3.4210 3.7080 3.7080 4.2717 4.2717 4.6893 4.6893 5.6960 5.6960 7.2343 7.2343 8.0660 8.0660 8.8217 8.8217 9.4542 9.4542 k = 0.2625 0.2008 0.9203 ( 4784 PWs) bands (ev): -24.6269 -24.6269 -24.6236 -24.6236 -8.3843 -8.3843 -8.3779 -8.3779 -8.1359 -8.1359 -8.1258 -8.1258 -8.0545 -8.0545 -8.0403 -8.0403 -4.7573 -4.7573 -4.6380 -4.6380 0.4000 0.4000 2.0006 2.0006 2.1932 2.1932 2.5660 2.5660 3.1324 3.1324 3.4144 3.4144 3.6566 3.6566 4.2877 4.2877 4.6661 4.6661 5.7126 5.7126 7.2556 7.2556 8.0504 8.0504 8.8088 8.8088 9.4464 9.4464 k = 0.2562 0.2081 0.9395 ( 4776 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3848 -8.3848 -8.3783 -8.3783 -8.1361 -8.1361 -8.1261 -8.1261 -8.0544 -8.0544 -8.0402 -8.0402 -4.7513 -4.7513 -4.6379 -4.6379 0.3866 0.3866 2.0335 2.0335 2.1826 2.1826 2.5429 2.5429 3.1755 3.1755 3.4017 3.4017 3.6231 3.6231 4.2985 4.2985 4.6508 4.6508 5.7227 5.7227 7.2686 7.2686 8.0410 8.0410 8.8010 8.8010 9.4417 9.4417 k = 0.2500 0.2153 0.9587 ( 4780 PWs) bands (ev): -24.6268 -24.6268 -24.6235 -24.6235 -8.3849 -8.3849 -8.3784 -8.3784 -8.1361 -8.1361 -8.1261 -8.1261 -8.0543 -8.0543 -8.0402 -8.0402 -4.7492 -4.7492 -4.6379 -4.6379 0.3822 0.3822 2.0466 2.0466 2.1775 2.1775 2.5344 2.5344 3.1939 3.1939 3.3939 3.3939 3.6117 3.6117 4.3024 4.3024 4.6455 4.6455 5.7261 5.7261 7.2729 7.2729 8.0379 8.0379 8.7985 8.7985 9.4401 9.4401 k = 0.1855-0.2153 0.9587 ( 4788 PWs) bands (ev): -24.6271 -24.6271 -24.6246 -24.6246 -8.3835 -8.3835 -8.3716 -8.3716 -8.1433 -8.1433 -8.1239 -8.1239 -8.0543 -8.0543 -8.0384 -8.0384 -4.8302 -4.8302 -4.5979 -4.5979 0.5041 0.5041 1.9099 1.9099 2.2012 2.2012 2.4653 2.4653 3.0724 3.0724 3.4373 3.4373 3.8338 3.8338 4.2589 4.2589 4.7562 4.7562 5.4403 5.4403 7.7422 7.7422 8.1363 8.1363 8.2987 8.2987 10.1361 10.1361 k = 0.1918-0.2226 0.9394 ( 4789 PWs) bands (ev): -24.6273 -24.6273 -24.6249 -24.6249 -8.3822 -8.3822 -8.3699 -8.3699 -8.1432 -8.1432 -8.1233 -8.1233 -8.0539 -8.0539 -8.0393 -8.0393 -4.8510 -4.8510 -4.5969 -4.5969 0.5583 0.5583 1.8547 1.8547 2.1924 2.1924 2.4121 2.4121 3.1388 3.1388 3.4407 3.4407 3.8904 3.8904 4.2403 4.2403 4.7943 4.7943 5.3892 5.3892 7.6911 7.6911 8.1798 8.1798 8.3600 8.3600 10.1034 10.1034 k = 0.1980-0.2299 0.9202 ( 4800 PWs) bands (ev): -24.6275 -24.6275 -24.6253 -24.6253 -8.3808 -8.3808 -8.3680 -8.3680 -8.1430 -8.1430 -8.1225 -8.1225 -8.0535 -8.0535 -8.0402 -8.0402 -4.8747 -4.8747 -4.5959 -4.5959 0.6199 0.6199 1.8003 1.8003 2.1769 2.1769 2.3635 2.3635 3.1958 3.1958 3.4546 3.4546 3.9486 3.9486 4.2224 4.2224 4.8339 4.8339 5.3373 5.3373 7.6362 7.6362 8.2292 8.2292 8.4261 8.4261 10.0712 10.0712 k = 0.2043-0.2372 0.9010 ( 4804 PWs) bands (ev): -24.6278 -24.6278 -24.6257 -24.6257 -8.3792 -8.3792 -8.3660 -8.3660 -8.1427 -8.1427 -8.1215 -8.1215 -8.0531 -8.0531 -8.0411 -8.0411 -4.9010 -4.9010 -4.5949 -4.5949 0.6885 0.6885 1.7472 1.7472 2.1488 2.1488 2.3270 2.3270 3.2332 3.2332 3.4881 3.4881 4.0064 4.0064 4.2066 4.2066 4.8734 4.8734 5.2858 5.2858 7.5785 7.5785 8.2843 8.2843 8.4963 8.4963 10.0396 10.0396 k = 0.2105-0.2444 0.8817 ( 4796 PWs) bands (ev): -24.6280 -24.6280 -24.6261 -24.6261 -8.3776 -8.3776 -8.3639 -8.3639 -8.1421 -8.1421 -8.1203 -8.1203 -8.0528 -8.0528 -8.0420 -8.0420 -4.9297 -4.9297 -4.5938 -4.5938 0.7634 0.7634 1.6957 1.6957 2.1057 2.1057 2.3065 2.3065 3.2472 3.2472 3.5435 3.5435 4.0612 4.0612 4.1958 4.1958 4.9106 4.9106 5.2369 5.2369 7.5188 7.5188 8.3452 8.3452 8.5699 8.5699 10.0086 10.0086 k = 0.2168-0.2517 0.8625 ( 4795 PWs) bands (ev): -24.6283 -24.6283 -24.6265 -24.6265 -8.3758 -8.3758 -8.3617 -8.3617 -8.1415 -8.1415 -8.1189 -8.1189 -8.0525 -8.0525 -8.0428 -8.0428 -4.9604 -4.9604 -4.5927 -4.5927 0.8442 0.8442 1.6459 1.6459 2.0518 2.0518 2.2985 2.2985 3.2441 3.2441 3.6131 3.6131 4.1043 4.1043 4.1987 4.1987 4.9417 4.9417 5.1947 5.1947 7.4583 7.4583 8.4119 8.4119 8.6466 8.6466 9.9785 9.9785 k = 0.2231-0.2590 0.8433 ( 4793 PWs) bands (ev): -24.6287 -24.6287 -24.6269 -24.6269 -8.3740 -8.3740 -8.3595 -8.3595 -8.1406 -8.1406 -8.1173 -8.1173 -8.0523 -8.0523 -8.0435 -8.0435 -4.9928 -4.9928 -4.5916 -4.5916 0.9300 0.9300 1.5981 1.5981 1.9931 1.9931 2.2981 2.2981 3.2312 3.2312 3.6879 3.6879 4.1219 4.1219 4.2301 4.2301 4.9590 4.9590 5.1669 5.1669 7.3977 7.3977 8.4842 8.4842 8.7258 8.7258 9.9493 9.9493 k = 0.2293-0.2663 0.8240 ( 4799 PWs) bands (ev): -24.6290 -24.6290 -24.6274 -24.6274 -8.3723 -8.3723 -8.3573 -8.3573 -8.1395 -8.1395 -8.1154 -8.1154 -8.0521 -8.0521 -8.0440 -8.0440 -5.0266 -5.0266 -4.5906 -4.5906 1.0200 1.0200 1.5521 1.5521 1.9336 1.9336 2.3021 2.3021 3.2128 3.2128 3.7611 3.7611 4.1235 4.1235 4.2823 4.2823 4.9534 4.9534 5.1629 5.1629 7.3379 7.3379 8.5619 8.5619 8.8071 8.8071 9.9212 9.9212 k = 0.2356-0.2735 0.8048 ( 4801 PWs) bands (ev): -24.6294 -24.6294 -24.6279 -24.6279 -8.3706 -8.3706 -8.3551 -8.3551 -8.1383 -8.1383 -8.1135 -8.1135 -8.0521 -8.0521 -8.0443 -8.0443 -5.0613 -5.0613 -4.5895 -4.5895 1.1127 1.1127 1.5083 1.5083 1.8760 1.8760 2.3090 2.3090 3.1912 3.1912 3.8264 3.8264 4.1251 4.1251 4.3421 4.3421 4.9266 4.9266 5.1814 5.1814 7.2799 7.2799 8.6447 8.6447 8.8901 8.8901 9.8942 9.8942 k = 0.2419-0.2808 0.7856 ( 4801 PWs) bands (ev): -24.6298 -24.6298 -24.6285 -24.6285 -8.3690 -8.3690 -8.3529 -8.3529 -8.1368 -8.1368 -8.1113 -8.1113 -8.0521 -8.0521 -8.0443 -8.0443 -5.0969 -5.0969 -4.5885 -4.5885 1.2055 1.2055 1.4674 1.4674 1.8228 1.8228 2.3178 2.3178 3.1679 3.1679 3.8772 3.8772 4.1351 4.1351 4.4053 4.4053 4.8891 4.8891 5.2124 5.2124 7.2248 7.2248 8.7322 8.7322 8.9744 8.9744 9.8688 9.8688 k = 0.2481-0.2881 0.7663 ( 4798 PWs) bands (ev): -24.6302 -24.6302 -24.6290 -24.6290 -8.3675 -8.3675 -8.3509 -8.3509 -8.1352 -8.1352 -8.1090 -8.1090 -8.0523 -8.0523 -8.0441 -8.0441 -5.1328 -5.1328 -4.5875 -4.5875 1.2909 1.2909 1.4334 1.4334 1.7776 1.7776 2.3280 2.3280 3.1436 3.1436 3.9082 3.9082 4.1578 4.1578 4.4702 4.4702 4.8494 4.8494 5.2489 5.2489 7.1735 7.1735 8.8237 8.8237 9.0596 9.0596 9.8452 9.8452 k = 0.2544-0.2953 0.7471 ( 4804 PWs) bands (ev): -24.6307 -24.6307 -24.6295 -24.6295 -8.3662 -8.3662 -8.3489 -8.3489 -8.1334 -8.1334 -8.1067 -8.1067 -8.0524 -8.0524 -8.0435 -8.0435 -5.1690 -5.1690 -4.5866 -4.5866 1.3356 1.3356 1.4322 1.4322 1.7475 1.7475 2.3394 2.3394 3.1190 3.1190 3.9201 3.9201 4.1917 4.1917 4.5334 4.5334 4.8137 4.8137 5.2876 5.2876 7.1272 7.1272 8.9183 8.9183 9.1453 9.1453 9.8241 9.8241 k = 0.2607-0.3026 0.7279 ( 4802 PWs) bands (ev): -24.6311 -24.6311 -24.6301 -24.6301 -8.3650 -8.3650 -8.3471 -8.3471 -8.1315 -8.1315 -8.1043 -8.1043 -8.0525 -8.0525 -8.0427 -8.0427 -5.2052 -5.2052 -4.5857 -4.5857 1.3158 1.3158 1.4726 1.4726 1.7476 1.7476 2.3516 2.3516 3.0948 3.0948 3.9183 3.9183 4.2307 4.2307 4.5865 4.5865 4.7915 4.7915 5.3267 5.3267 7.0873 7.0873 9.0146 9.0146 9.2310 9.2310 9.8065 9.8065 k = 0.2669-0.3099 0.7086 ( 4802 PWs) bands (ev): -24.6316 -24.6316 -24.6306 -24.6306 -8.3640 -8.3640 -8.3454 -8.3454 -8.1295 -8.1295 -8.1019 -8.1019 -8.0524 -8.0524 -8.0416 -8.0416 -5.2410 -5.2410 -4.5849 -4.5849 1.2790 1.2790 1.4909 1.4909 1.7932 1.7932 2.3645 2.3645 3.0713 3.0713 3.9081 3.9081 4.2696 4.2696 4.6120 4.6120 4.7999 4.7999 5.3656 5.3656 7.0550 7.0550 9.1106 9.1106 9.3161 9.3161 9.7941 9.7941 k = 0.2732-0.3172 0.6894 ( 4802 PWs) bands (ev): -24.6320 -24.6320 -24.6312 -24.6312 -8.3633 -8.3633 -8.3438 -8.3438 -8.1274 -8.1274 -8.0996 -8.0996 -8.0521 -8.0521 -8.0402 -8.0402 -5.2763 -5.2763 -4.5841 -4.5841 1.2388 1.2388 1.4821 1.4821 1.8752 1.8752 2.3779 2.3779 3.0491 3.0491 3.8927 3.8927 4.3055 4.3055 4.6045 4.6045 4.8432 4.8432 5.4036 5.4036 7.0318 7.0318 9.2031 9.2031 9.3996 9.3996 9.7898 9.7898 k = 0.2795-0.3244 0.6702 ( 4805 PWs) bands (ev): -24.6325 -24.6325 -24.6318 -24.6318 -8.3627 -8.3627 -8.3424 -8.3424 -8.1253 -8.1253 -8.0974 -8.0974 -8.0516 -8.0516 -8.0385 -8.0385 -5.3110 -5.3110 -4.5834 -4.5834 1.1974 1.1974 1.4622 1.4622 1.9747 1.9747 2.3918 2.3918 3.0288 3.0288 3.8738 3.8738 4.3368 4.3368 4.5817 4.5817 4.9027 4.9027 5.4404 5.4404 7.0194 7.0194 9.2876 9.2876 9.4802 9.4802 9.7981 9.7981 k = 0.2857-0.3317 0.6510 ( 4802 PWs) bands (ev): -24.6329 -24.6329 -24.6323 -24.6323 -8.3623 -8.3623 -8.3412 -8.3412 -8.1232 -8.1232 -8.0955 -8.0955 -8.0507 -8.0507 -8.0366 -8.0366 -5.3447 -5.3447 -4.5827 -4.5827 1.1557 1.1557 1.4398 1.4398 2.0808 2.0808 2.4059 2.4059 3.0110 3.0110 3.8524 3.8524 4.3624 4.3624 4.5564 4.5564 4.9650 4.9650 5.4758 5.4758 7.0191 7.0191 9.3576 9.3576 9.5564 9.5564 9.8249 9.8249 k = 0.2920-0.3390 0.6317 ( 4802 PWs) bands (ev): -24.6334 -24.6334 -24.6328 -24.6328 -8.3622 -8.3622 -8.3401 -8.3401 -8.1212 -8.1212 -8.0939 -8.0939 -8.0494 -8.0494 -8.0345 -8.0345 -5.3774 -5.3774 -4.5821 -4.5821 1.1141 1.1141 1.4183 1.4183 2.1881 2.1881 2.4207 2.4207 2.9965 2.9965 3.8290 3.8290 4.3807 4.3807 4.5348 4.5348 5.0244 5.0244 5.5092 5.5092 7.0323 7.0323 9.4069 9.4069 9.6284 9.6284 9.8732 9.8732 k = 0.2983-0.3463 0.6125 ( 4806 PWs) bands (ev): -24.6338 -24.6338 -24.6334 -24.6334 -8.3622 -8.3622 -8.3392 -8.3392 -8.1192 -8.1192 -8.0925 -8.0925 -8.0477 -8.0477 -8.0322 -8.0322 -5.4090 -5.4090 -4.5816 -4.5816 1.0732 1.0732 1.3989 1.3989 2.2918 2.2918 2.4374 2.4374 2.9864 2.9864 3.8041 3.8041 4.3891 4.3891 4.5216 4.5216 5.0780 5.0780 5.5405 5.5405 7.0599 7.0599 9.4344 9.4344 9.6981 9.6981 9.9376 9.9376 k = 0.3045-0.3535 0.5933 ( 4810 PWs) bands (ev): -24.6343 -24.6343 -24.6339 -24.6339 -8.3624 -8.3624 -8.3384 -8.3384 -8.1174 -8.1174 -8.0915 -8.0915 -8.0457 -8.0457 -8.0296 -8.0296 -5.4392 -5.4392 -4.5812 -4.5812 1.0334 1.0334 1.3819 1.3819 2.3814 2.3814 2.4633 2.4633 2.9825 2.9825 3.7780 3.7780 4.3860 4.3860 4.5192 4.5192 5.1246 5.1246 5.5692 5.5692 7.1025 7.1025 9.4448 9.4448 9.7659 9.7659 10.0032 10.0032 k = 0.3108-0.3608 0.5740 ( 4808 PWs) bands (ev): -24.6347 -24.6347 -24.6344 -24.6344 -8.3627 -8.3627 -8.3378 -8.3378 -8.1157 -8.1157 -8.0908 -8.0908 -8.0434 -8.0434 -8.0269 -8.0269 -5.4679 -5.4679 -4.5807 -4.5807 0.9950 0.9950 1.3674 1.3674 2.4301 2.4301 2.5215 2.5215 2.9872 2.9872 3.7511 3.7511 4.3741 4.3741 4.5258 4.5258 5.1639 5.1639 5.5953 5.5953 7.1598 7.1598 9.4446 9.4446 9.8301 9.8301 10.0372 10.0372 k = 0.3171-0.3681 0.5548 ( 4804 PWs) bands (ev): -24.6351 -24.6351 -24.6349 -24.6349 -8.3631 -8.3631 -8.3372 -8.3372 -8.1141 -8.1141 -8.0904 -8.0904 -8.0407 -8.0407 -8.0240 -8.0240 -5.4951 -5.4951 -4.5804 -4.5804 0.9583 0.9583 1.3551 1.3551 2.4491 2.4491 2.5961 2.5961 3.0038 3.0038 3.7238 3.7238 4.3576 4.3576 4.5373 4.5373 5.1963 5.1963 5.6186 5.6186 7.2310 7.2310 9.4381 9.4381 9.8884 9.8884 10.0127 10.0127 k = 0.3233-0.3754 0.5356 ( 4816 PWs) bands (ev): -24.6355 -24.6355 -24.6353 -24.6353 -8.3636 -8.3636 -8.3368 -8.3368 -8.1128 -8.1128 -8.0902 -8.0902 -8.0379 -8.0379 -8.0211 -8.0211 -5.5206 -5.5206 -4.5801 -4.5801 0.9237 0.9237 1.3448 1.3448 2.4604 2.4604 2.6605 2.6605 3.0357 3.0357 3.6963 3.6963 4.3397 4.3397 4.5511 4.5511 5.2225 5.2225 5.6392 5.6392 7.3148 7.3148 9.4284 9.4284 9.9354 9.9354 9.9723 9.9723 k = 0.3296-0.3826 0.5163 ( 4822 PWs) bands (ev): -24.6359 -24.6359 -24.6358 -24.6358 -8.3642 -8.3642 -8.3365 -8.3365 -8.1115 -8.1115 -8.0901 -8.0901 -8.0350 -8.0350 -8.0182 -8.0182 -5.5443 -5.5443 -4.5799 -4.5799 0.8913 0.8913 1.3364 1.3364 2.4685 2.4685 2.7084 2.7084 3.0838 3.0838 3.6693 3.6693 4.3220 4.3220 4.5657 4.5657 5.2435 5.2435 5.6572 5.6572 7.4094 7.4094 9.4169 9.4169 9.9271 9.9271 9.9618 9.9618 k = 0.3358-0.3899 0.4971 ( 4831 PWs) bands (ev): -24.6363 -24.6363 -24.6362 -24.6362 -8.3648 -8.3648 -8.3363 -8.3363 -8.1105 -8.1105 -8.0902 -8.0902 -8.0321 -8.0321 -8.0153 -8.0153 -5.5663 -5.5663 -4.5796 -4.5796 0.8612 0.8612 1.3296 1.3296 2.4744 2.4744 2.7413 2.7413 3.1441 3.1441 3.6430 3.6430 4.3050 4.3050 4.5805 4.5805 5.2607 5.2607 5.6727 5.6727 7.5126 7.5126 9.4047 9.4047 9.8862 9.8862 9.9354 9.9354 k = 0.3421-0.3972 0.4779 ( 4827 PWs) bands (ev): -24.6366 -24.6366 -24.6366 -24.6366 -8.3655 -8.3655 -8.3361 -8.3361 -8.1095 -8.1095 -8.0904 -8.0904 -8.0292 -8.0292 -8.0125 -8.0125 -5.5863 -5.5863 -4.5795 -4.5795 0.8337 0.8337 1.3241 1.3241 2.4785 2.4785 2.7640 2.7640 3.2100 3.2100 3.6183 3.6183 4.2892 4.2892 4.5952 4.5952 5.2751 5.2751 5.6860 5.6860 7.6223 7.6223 9.3926 9.3926 9.8422 9.8422 9.8740 9.8740 k = 0.3484-0.4044 0.4586 ( 4829 PWs) bands (ev): -24.6369 -24.6369 -24.6368 -24.6368 -8.3662 -8.3662 -8.3360 -8.3360 -8.1087 -8.1087 -8.0906 -8.0906 -8.0264 -8.0264 -8.0099 -8.0099 -5.6044 -5.6044 -4.5794 -4.5794 0.8089 0.8089 1.3199 1.3199 2.4810 2.4810 2.7807 2.7807 3.2756 3.2756 3.5959 3.5959 4.2746 4.2746 4.6095 4.6095 5.2879 5.2879 5.6971 5.6971 7.7360 7.7360 9.3808 9.3808 9.7751 9.7751 9.8243 9.8243 k = 0.3546-0.4117 0.4394 ( 4827 PWs) bands (ev): -24.6372 -24.6372 -24.6371 -24.6371 -8.3668 -8.3668 -8.3359 -8.3359 -8.1081 -8.1081 -8.0909 -8.0909 -8.0239 -8.0239 -8.0074 -8.0074 -5.6205 -5.6205 -4.5793 -4.5793 0.7868 0.7868 1.3166 1.3166 2.4822 2.4822 2.7941 2.7941 3.3359 3.3359 3.5770 3.5770 4.2615 4.2615 4.6231 4.6231 5.2997 5.2997 5.7061 5.7061 7.8509 7.8509 9.3697 9.3697 9.6925 9.6925 9.7907 9.7907 k = 0.3609-0.4190 0.4202 ( 4827 PWs) bands (ev): -24.6375 -24.6375 -24.6373 -24.6373 -8.3674 -8.3674 -8.3358 -8.3358 -8.1075 -8.1075 -8.0912 -8.0912 -8.0215 -8.0215 -8.0052 -8.0052 -5.6345 -5.6345 -4.5792 -4.5792 0.7675 0.7675 1.3142 1.3142 2.4825 2.4825 2.8053 2.8053 3.3865 3.3865 3.5641 3.5641 4.2498 4.2498 4.6358 4.6358 5.3111 5.3111 5.7133 5.7133 7.9642 7.9642 9.3596 9.3596 9.6107 9.6107 9.7628 9.7628 k = 0.3672-0.4263 0.4009 ( 4823 PWs) bands (ev): -24.6377 -24.6377 -24.6375 -24.6375 -8.3679 -8.3679 -8.3358 -8.3358 -8.1070 -8.1070 -8.0914 -8.0914 -8.0195 -8.0195 -8.0032 -8.0032 -5.6464 -5.6464 -4.5791 -4.5791 0.7511 0.7511 1.3124 1.3124 2.4822 2.4822 2.8151 2.8151 3.4223 3.4223 3.5608 3.5608 4.2397 4.2397 4.6473 4.6473 5.3221 5.3221 5.7188 5.7188 8.0724 8.0724 9.3505 9.3505 9.5347 9.5347 9.7393 9.7393 k = 0.3734-0.4335 0.3817 ( 4819 PWs) bands (ev): -24.6379 -24.6379 -24.6377 -24.6377 -8.3683 -8.3683 -8.3358 -8.3358 -8.1067 -8.1067 -8.0917 -8.0917 -8.0177 -8.0177 -8.0015 -8.0015 -5.6562 -5.6562 -4.5791 -4.5791 0.7376 0.7376 1.3111 1.3111 2.4816 2.4816 2.8236 2.8236 3.4402 3.4402 3.5696 3.5696 4.2312 4.2312 4.6572 4.6572 5.3325 5.3325 5.7227 5.7227 8.1715 8.1715 9.3427 9.3427 9.4677 9.4677 9.7200 9.7200 k = 0.3797-0.4408 0.3625 ( 4811 PWs) bands (ev): -24.6380 -24.6380 -24.6378 -24.6378 -8.3687 -8.3687 -8.3358 -8.3358 -8.1064 -8.1064 -8.0919 -8.0919 -8.0163 -8.0163 -8.0002 -8.0002 -5.6638 -5.6638 -4.5790 -4.5790 0.7271 0.7271 1.3103 1.3103 2.4808 2.4808 2.8304 2.8304 3.4447 3.4447 3.5859 3.5859 4.2245 4.2245 4.6652 4.6652 5.3418 5.3418 5.7253 5.7253 8.2571 8.2571 9.3360 9.3360 9.4122 9.4122 9.7049 9.7049 k = 0.3860-0.4481 0.3432 ( 4810 PWs) bands (ev): -24.6381 -24.6381 -24.6379 -24.6379 -8.3690 -8.3690 -8.3358 -8.3358 -8.1062 -8.1062 -8.0920 -8.0920 -8.0153 -8.0153 -7.9993 -7.9993 -5.6693 -5.6693 -4.5790 -4.5790 0.7195 0.7195 1.3097 1.3097 2.4801 2.4801 2.8356 2.8356 3.4434 3.4434 3.6019 3.6019 4.2195 4.2195 4.6711 4.6711 5.3492 5.3492 5.7268 5.7268 8.3238 8.3238 9.3303 9.3303 9.3710 9.3710 9.6940 9.6940 k = 0.3922-0.4554 0.3240 ( 4824 PWs) bands (ev): -24.6382 -24.6382 -24.6380 -24.6380 -8.3692 -8.3692 -8.3358 -8.3358 -8.1061 -8.1061 -8.0921 -8.0921 -8.0147 -8.0147 -7.9987 -7.9987 -5.6726 -5.6726 -4.5790 -4.5790 0.7150 0.7150 1.3094 1.3094 2.4796 2.4796 2.8388 2.8388 3.4413 3.4413 3.6128 3.6128 4.2165 4.2165 4.6747 4.6747 5.3540 5.3540 5.7277 5.7277 8.3665 8.3665 9.3247 9.3247 9.3472 9.3472 9.6875 9.6875 k = 0.3985-0.4626 0.3048 ( 4824 PWs) bands (ev): -24.6382 -24.6382 -24.6380 -24.6380 -8.3692 -8.3692 -8.3358 -8.3358 -8.1061 -8.1061 -8.0921 -8.0921 -8.0145 -8.0145 -7.9985 -7.9985 -5.6737 -5.6737 -4.5790 -4.5790 0.7135 0.7135 1.3093 1.3093 2.4795 2.4795 2.8399 2.8399 3.4404 3.4404 3.6167 3.6167 4.2155 4.2155 4.6759 4.6759 5.3556 5.3556 5.7279 5.7279 8.3813 8.3813 9.3213 9.3213 9.3406 9.3406 9.6853 9.6853 k = 0.6015 0.3128 0.0776 ( 4824 PWs) bands (ev): -24.6382 -24.6382 -24.6380 -24.6380 -8.3692 -8.3692 -8.3358 -8.3358 -8.1061 -8.1061 -8.0921 -8.0921 -8.0145 -8.0145 -7.9985 -7.9985 -5.6737 -5.6737 -4.5790 -4.5790 0.7135 0.7135 1.3093 1.3093 2.4795 2.4795 2.8399 2.8399 3.4404 3.4404 3.6167 3.6167 4.2155 4.2155 4.6759 4.6759 5.3556 5.3556 5.7279 5.7279 8.3813 8.3813 9.3213 9.3213 9.3406 9.3406 9.6853 9.6853 k = 0.5902 0.3259 0.0690 ( 4820 PWs) bands (ev): -24.6383 -24.6383 -24.6379 -24.6379 -8.3698 -8.3698 -8.3372 -8.3372 -8.1057 -8.1057 -8.0931 -8.0931 -8.0146 -8.0146 -7.9978 -7.9978 -5.6736 -5.6736 -4.5700 -4.5700 0.6902 0.6902 1.3075 1.3075 2.4895 2.4895 2.8126 2.8126 3.4347 3.4347 3.6143 3.6143 4.2232 4.2232 4.6972 4.6972 5.3935 5.3935 5.7449 5.7449 8.3982 8.3982 9.2743 9.2743 9.3730 9.3730 9.6392 9.6392 k = 0.5789 0.3390 0.0604 ( 4822 PWs) bands (ev): -24.6384 -24.6384 -24.6378 -24.6378 -8.3703 -8.3703 -8.3386 -8.3386 -8.1054 -8.1054 -8.0939 -8.0939 -8.0146 -8.0146 -7.9972 -7.9972 -5.6737 -5.6737 -4.5617 -4.5617 0.6687 0.6687 1.3060 1.3060 2.5006 2.5006 2.7859 2.7859 3.4299 3.4299 3.6124 3.6124 4.2295 4.2295 4.7152 4.7152 5.4324 5.4324 5.7606 5.7606 8.4142 8.4142 9.2172 9.2172 9.4150 9.4150 9.5971 9.5971 k = 0.5677 0.3521 0.0518 ( 4824 PWs) bands (ev): -24.6385 -24.6385 -24.6377 -24.6377 -8.3707 -8.3707 -8.3397 -8.3397 -8.1051 -8.1051 -8.0947 -8.0947 -8.0146 -8.0146 -7.9967 -7.9967 -5.6739 -5.6739 -4.5541 -4.5541 0.6492 0.6492 1.3047 1.3047 2.5128 2.5128 2.7602 2.7602 3.4259 3.4259 3.6109 3.6109 4.2346 4.2346 4.7298 4.7298 5.4708 5.4708 5.7747 5.7747 8.4289 8.4289 9.1630 9.1630 9.4547 9.4547 9.5599 9.5599 k = 0.5564 0.3652 0.0431 ( 4820 PWs) bands (ev): -24.6385 -24.6385 -24.6377 -24.6377 -8.3710 -8.3710 -8.3408 -8.3408 -8.1048 -8.1048 -8.0953 -8.0953 -8.0147 -8.0147 -7.9962 -7.9962 -5.6741 -5.6741 -4.5474 -4.5474 0.6322 0.6322 1.3037 1.3037 2.5258 2.5258 2.7354 2.7354 3.4226 3.4226 3.6097 3.6097 4.2387 4.2387 4.7415 4.7415 5.5069 5.5069 5.7870 5.7870 8.4420 8.4420 9.1134 9.1134 9.4905 9.4905 9.5285 9.5285 k = 0.5451 0.3783 0.0345 ( 4816 PWs) bands (ev): -24.6386 -24.6386 -24.6376 -24.6376 -8.3712 -8.3712 -8.3417 -8.3417 -8.1046 -8.1046 -8.0958 -8.0958 -8.0147 -8.0147 -7.9958 -7.9958 -5.6744 -5.6744 -4.5418 -4.5418 0.6178 0.6178 1.3029 1.3029 2.5397 2.5397 2.7118 2.7118 3.4200 3.4200 3.6089 3.6089 4.2419 4.2419 4.7505 4.7505 5.5392 5.5392 5.7973 5.7973 8.4532 8.4532 9.0702 9.0702 9.4979 9.4979 9.5268 9.5268 k = 0.5338 0.3914 0.0259 ( 4804 PWs) bands (ev): -24.6386 -24.6386 -24.6375 -24.6375 -8.3713 -8.3713 -8.3424 -8.3424 -8.1044 -8.1044 -8.0962 -8.0962 -8.0147 -8.0147 -7.9955 -7.9955 -5.6746 -5.6746 -4.5373 -4.5373 0.6064 0.6064 1.3023 1.3023 2.5541 2.5541 2.6898 2.6898 3.4180 3.4180 3.6082 3.6082 4.2443 4.2443 4.7571 4.7571 5.5662 5.5662 5.8054 5.8054 8.4621 8.4621 9.0349 9.0349 9.4781 9.4781 9.5528 9.5528 k = 0.5226 0.4045 0.0173 ( 4798 PWs) bands (ev): -24.6386 -24.6386 -24.6375 -24.6375 -8.3714 -8.3714 -8.3429 -8.3429 -8.1043 -8.1043 -8.0965 -8.0965 -8.0147 -8.0147 -7.9953 -7.9953 -5.6748 -5.6748 -4.5340 -4.5340 0.5981 0.5981 1.3019 1.3019 2.5683 2.5683 2.6701 2.6701 3.4166 3.4166 3.6077 3.6077 4.2460 4.2460 4.7617 4.7617 5.5865 5.5865 5.8113 5.8113 8.4687 8.4687 9.0086 9.0086 9.4630 9.4630 9.5733 9.5733 k = 0.5113 0.4176 0.0086 ( 4786 PWs) bands (ev): -24.6386 -24.6386 -24.6374 -24.6374 -8.3715 -8.3715 -8.3432 -8.3432 -8.1042 -8.1042 -8.0967 -8.0967 -8.0147 -8.0147 -7.9951 -7.9951 -5.6749 -5.6749 -4.5320 -4.5320 0.5931 0.5931 1.3017 1.3017 2.5805 2.5805 2.6547 2.6547 3.4158 3.4158 3.6075 3.6075 4.2469 4.2469 4.7643 4.7643 5.5992 5.5992 5.8148 5.8148 8.4727 8.4727 8.9925 8.9925 9.4539 9.4539 9.5864 9.5864 k = 0.5000 0.4307 0.0000 ( 4792 PWs) bands (ev): -24.6386 -24.6386 -24.6374 -24.6374 -8.3715 -8.3715 -8.3434 -8.3434 -8.1041 -8.1041 -8.0968 -8.0968 -8.0147 -8.0147 -7.9951 -7.9951 -5.6749 -5.6749 -4.5314 -4.5314 0.5914 0.5914 1.3016 1.3016 2.5858 2.5858 2.6482 2.6482 3.4155 3.4155 3.6074 3.6074 4.2473 4.2473 4.7652 4.7652 5.6035 5.6035 5.8160 5.8160 8.4741 8.4741 8.9870 8.9870 9.4508 9.4508 9.5908 9.5908 Writing output data file K2Te2Pt.save init_run : 1.30s CPU 1.66s WALL ( 1 calls) electrons : 285.84s CPU 288.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 285.83s CPU 288.76s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.20s CPU 0.32s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.06s WALL ( 335 calls) cegterg : 262.32s CPU 264.81s WALL ( 690 calls) Called by sum_band: Called by *egterg: h_psi : 182.85s CPU 184.80s WALL ( 12291 calls) s_psi : 8.68s CPU 8.72s WALL ( 12291 calls) g_psi : 0.29s CPU 0.32s WALL ( 11266 calls) cdiaghg : 65.62s CPU 66.42s WALL ( 11601 calls) cegterg:over : 7.76s CPU 7.81s WALL ( 11266 calls) cegterg:upda : 7.98s CPU 7.79s WALL ( 11266 calls) cegterg:last : 3.50s CPU 3.60s WALL ( 1695 calls) cdiaghg:chol : 3.72s CPU 3.85s WALL ( 11601 calls) cdiaghg:inve : 2.32s CPU 2.31s WALL ( 11601 calls) cdiaghg:para : 4.01s CPU 3.87s WALL ( 23202 calls) Called by h_psi: h_psi:vloc : 164.12s CPU 165.96s WALL ( 12291 calls) h_psi:vnl : 18.44s CPU 18.54s WALL ( 12291 calls) add_vuspsi : 9.80s CPU 9.83s WALL ( 12291 calls) General routines calbec : 8.58s CPU 8.67s WALL ( 12291 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 147.56s CPU 149.44s WALL ( 950476 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.25s WALL ( 670 calls) Parallel routines fft_scatter : 48.52s CPU 49.34s WALL ( 950499 calls) PWSCF : 5m 3.66s CPU 5m21.71s WALL This run was terminated on: 20:13:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=