Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:10:45 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: ./Rb2PtSe2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 144 55 16 4060 937 149 Max 145 56 17 4062 962 152 Sum 5203 1983 577 146195 34141 5429 bravais-lattice index = 14 lattice parameter (alat) = 12.3937 a.u. unit-cell volume = 960.8547 (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)= 12.393741 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.836273 celldm(5)= -0.336865 celldm(6)= 0.173138 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.173138 0.984898 0.000000 ) a(3) = ( -0.336865 -0.789878 0.512459 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.175793 0.386392 ) b(2) = ( 0.000000 1.015334 1.564982 ) b(3) = ( 0.000000 0.000000 1.951374 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 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 1219 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 Se 6.00 78.96000 Se( 1.00) Rb 9.00 85.46780 Rb( 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( -0.0059352 0.0070696 0.0185770), wk = 0.0028571 k( 3) = ( -0.0118704 0.0141392 0.0371541), wk = 0.0028571 k( 4) = ( -0.0178057 0.0212088 0.0557311), wk = 0.0028571 k( 5) = ( -0.0237409 0.0282784 0.0743082), wk = 0.0028571 k( 6) = ( -0.0296761 0.0353480 0.0928852), wk = 0.0028571 k( 7) = ( -0.0356113 0.0424177 0.1114623), wk = 0.0028571 k( 8) = ( -0.0415466 0.0494873 0.1300393), wk = 0.0028571 k( 9) = ( -0.0474818 0.0565569 0.1486164), wk = 0.0028571 k( 10) = ( -0.0534170 0.0636265 0.1671934), wk = 0.0028571 k( 11) = ( -0.0593523 0.0706961 0.1857705), wk = 0.0028571 k( 12) = ( -0.0652875 0.0777657 0.2043475), wk = 0.0028571 k( 13) = ( -0.0712227 0.0848353 0.2229246), wk = 0.0028571 k( 14) = ( -0.0771579 0.0919049 0.2415016), wk = 0.0028571 k( 15) = ( -0.0830932 0.0989745 0.2600786), wk = 0.0028571 k( 16) = ( -0.0890284 0.1060441 0.2786557), wk = 0.0028571 k( 17) = ( -0.0949636 0.1131137 0.2972327), wk = 0.0028571 k( 18) = ( -0.1008988 0.1201833 0.3158098), wk = 0.0028571 k( 19) = ( -0.1068340 0.1272530 0.3343868), wk = 0.0028571 k( 20) = ( -0.1127693 0.1343226 0.3529639), wk = 0.0028571 k( 21) = ( -0.1187045 0.1413922 0.3715409), wk = 0.0028571 k( 22) = ( -0.1246397 0.1484618 0.3901180), wk = 0.0028571 k( 23) = ( -0.1305749 0.1555314 0.4086950), wk = 0.0028571 k( 24) = ( -0.1365102 0.1626010 0.4272721), wk = 0.0028571 k( 25) = ( -0.1424454 0.1696706 0.4458491), wk = 0.0028571 k( 26) = ( -0.1483806 0.1767402 0.4644261), wk = 0.0028571 k( 27) = ( -0.1543158 0.1838098 0.4830032), wk = 0.0028571 k( 28) = ( -0.1602511 0.1908794 0.5015802), wk = 0.0028571 k( 29) = ( -0.1661863 0.1979490 0.5201573), wk = 0.0028571 k( 30) = ( -0.1721215 0.2050186 0.5387343), wk = 0.0028571 k( 31) = ( -0.1780567 0.2120882 0.5573114), wk = 0.0028571 k( 32) = ( -0.1839920 0.2191579 0.5758884), wk = 0.0028571 k( 33) = ( -0.1899272 0.2262275 0.5944655), wk = 0.0028571 k( 34) = ( -0.1958624 0.2332971 0.6130425), wk = 0.0028571 k( 35) = ( -0.2017976 0.2403667 0.6316195), wk = 0.0028571 k( 36) = ( -0.2077329 0.2474363 0.6501966), wk = 0.0028571 k( 37) = ( -0.2136681 0.2545059 0.6687736), wk = 0.0028571 k( 38) = ( -0.2196033 0.2615755 0.6873507), wk = 0.0028571 k( 39) = ( -0.2255385 0.2686451 0.7059277), wk = 0.0028571 k( 40) = ( -0.2314738 0.2757147 0.7245048), wk = 0.0028571 k( 41) = ( -0.2374090 0.2827843 0.7430818), wk = 0.0028571 k( 42) = ( -0.2433442 0.2898539 0.7616589), wk = 0.0028571 k( 43) = ( -0.2492794 0.2969235 0.7802359), wk = 0.0028571 k( 44) = ( -0.2552147 0.3039932 0.7988130), wk = 0.0028571 k( 45) = ( -0.2611499 0.3110628 0.8173900), wk = 0.0028571 k( 46) = ( -0.2670851 0.3181324 0.8359670), wk = 0.0028571 k( 47) = ( -0.2730203 0.3252020 0.8545441), wk = 0.0028571 k( 48) = ( -0.2789556 0.3322716 0.8731211), wk = 0.0028571 k( 49) = ( -0.2848908 0.3393412 0.8916982), wk = 0.0028571 k( 50) = ( -0.2848908 0.3393412 0.8916982), wk = 0.0028571 k( 51) = ( -0.2740224 0.3263956 0.9000971), wk = 0.0028571 k( 52) = ( -0.2631541 0.3134500 0.9084959), wk = 0.0028571 k( 53) = ( -0.2522857 0.3005044 0.9168948), wk = 0.0028571 k( 54) = ( -0.2414174 0.2875588 0.9252937), wk = 0.0028571 k( 55) = ( -0.2305490 0.2746132 0.9336926), wk = 0.0028571 k( 56) = ( -0.2196806 0.2616676 0.9420915), wk = 0.0028571 k( 57) = ( -0.2088123 0.2487220 0.9504904), wk = 0.0028571 k( 58) = ( -0.1979439 0.2357764 0.9588893), wk = 0.0028571 k( 59) = ( -0.1870756 0.2228308 0.9672881), wk = 0.0028571 k( 60) = ( -0.1762072 0.2098852 0.9756870), wk = 0.0028571 k( 61) = ( -0.1762072 0.2098852 0.9756870), wk = 0.0028571 k( 62) = ( -0.1636210 0.1948934 0.9756870), wk = 0.0028571 k( 63) = ( -0.1510347 0.1799016 0.9756870), wk = 0.0028571 k( 64) = ( -0.1384485 0.1649098 0.9756870), wk = 0.0028571 k( 65) = ( -0.1258623 0.1499180 0.9756870), wk = 0.0028571 k( 66) = ( -0.1132761 0.1349262 0.9756870), wk = 0.0028571 k( 67) = ( -0.1006898 0.1199344 0.9756870), wk = 0.0028571 k( 68) = ( -0.0881036 0.1049426 0.9756870), wk = 0.0028571 k( 69) = ( -0.0755174 0.0899508 0.9756870), wk = 0.0028571 k( 70) = ( -0.0629312 0.0749590 0.9756870), wk = 0.0028571 k( 71) = ( -0.0503449 0.0599672 0.9756870), wk = 0.0028571 k( 72) = ( -0.0377587 0.0449754 0.9756870), wk = 0.0028571 k( 73) = ( -0.0251725 0.0299836 0.9756870), wk = 0.0028571 k( 74) = ( -0.0125862 0.0149918 0.9756870), wk = 0.0028571 k( 75) = ( 0.0000000 0.0000000 0.9756870), wk = 0.0028571 k( 76) = ( 0.0000000 0.0000000 0.9756870), wk = 0.0028571 k( 77) = ( 0.0156250 0.0131178 0.9756870), wk = 0.0028571 k( 78) = ( 0.0312500 0.0262357 0.9756870), wk = 0.0028571 k( 79) = ( 0.0468750 0.0393535 0.9756870), wk = 0.0028571 k( 80) = ( 0.0625000 0.0524713 0.9756870), wk = 0.0028571 k( 81) = ( 0.0781250 0.0655891 0.9756870), wk = 0.0028571 k( 82) = ( 0.0937500 0.0787070 0.9756870), wk = 0.0028571 k( 83) = ( 0.1093750 0.0918248 0.9756870), wk = 0.0028571 k( 84) = ( 0.1250000 0.1049426 0.9756870), wk = 0.0028571 k( 85) = ( 0.1406250 0.1180604 0.9756870), wk = 0.0028571 k( 86) = ( 0.1562500 0.1311783 0.9756870), wk = 0.0028571 k( 87) = ( 0.1718750 0.1442961 0.9756870), wk = 0.0028571 k( 88) = ( 0.1875000 0.1574139 0.9756870), wk = 0.0028571 k( 89) = ( 0.2031250 0.1705317 0.9756870), wk = 0.0028571 k( 90) = ( 0.2187500 0.1836496 0.9756870), wk = 0.0028571 k( 91) = ( 0.2343750 0.1967674 0.9756870), wk = 0.0028571 k( 92) = ( 0.2500000 0.2098852 0.9756870), wk = 0.0028571 k( 93) = ( 0.2500000 0.2098852 0.9756870), wk = 0.0028571 k( 94) = ( 0.2380952 0.2240653 0.9664872), wk = 0.0028571 k( 95) = ( 0.2261905 0.2382454 0.9572874), wk = 0.0028571 k( 96) = ( 0.2142857 0.2524255 0.9480876), wk = 0.0028571 k( 97) = ( 0.2023810 0.2666056 0.9388878), wk = 0.0028571 k( 98) = ( 0.1904762 0.2807856 0.9296880), wk = 0.0028571 k( 99) = ( 0.1785714 0.2949657 0.9204882), wk = 0.0028571 k( 100) = ( 0.1666667 0.3091458 0.9112884), wk = 0.0028571 k( 101) = ( 0.1547619 0.3233259 0.9020886), wk = 0.0028571 k( 102) = ( 0.1428571 0.3375060 0.8928888), wk = 0.0028571 k( 103) = ( 0.1309524 0.3516861 0.8836890), wk = 0.0028571 k( 104) = ( 0.1190476 0.3658662 0.8744892), wk = 0.0028571 k( 105) = ( 0.1071429 0.3800462 0.8652894), wk = 0.0028571 k( 106) = ( 0.0952381 0.3942263 0.8560896), wk = 0.0028571 k( 107) = ( 0.0833333 0.4084064 0.8468898), wk = 0.0028571 k( 108) = ( 0.0714286 0.4225865 0.8376900), wk = 0.0028571 k( 109) = ( 0.0595238 0.4367666 0.8284902), wk = 0.0028571 k( 110) = ( 0.0476191 0.4509467 0.8192904), wk = 0.0028571 k( 111) = ( 0.0357143 0.4651268 0.8100906), wk = 0.0028571 k( 112) = ( 0.0238095 0.4793069 0.8008908), wk = 0.0028571 k( 113) = ( 0.0119048 0.4934869 0.7916910), wk = 0.0028571 k( 114) = ( 0.0000000 0.5076670 0.7824912), wk = 0.0028571 k( 115) = ( 0.0000000 0.5076670 0.7824912), wk = 0.0028571 k( 116) = ( 0.0167583 0.5175685 0.7760673), wk = 0.0028571 k( 117) = ( 0.0335166 0.5274701 0.7696434), wk = 0.0028571 k( 118) = ( 0.0502749 0.5373716 0.7632194), wk = 0.0028571 k( 119) = ( 0.0670331 0.5472731 0.7567955), wk = 0.0028571 k( 120) = ( 0.0837914 0.5571746 0.7503716), wk = 0.0028571 k( 121) = ( 0.1005497 0.5670762 0.7439476), wk = 0.0028571 k( 122) = ( 0.1173080 0.5769777 0.7375237), wk = 0.0028571 k( 123) = ( 0.1340662 0.5868792 0.7310997), wk = 0.0028571 k( 124) = ( 0.1508245 0.5967807 0.7246758), wk = 0.0028571 k( 125) = ( 0.1675828 0.6066822 0.7182519), wk = 0.0028571 k( 126) = ( 0.1843411 0.6165837 0.7118279), wk = 0.0028571 k( 127) = ( 0.2010994 0.6264853 0.7054040), wk = 0.0028571 k( 128) = ( 0.2178577 0.6363868 0.6989801), wk = 0.0028571 k( 129) = ( 0.2346159 0.6462883 0.6925561), wk = 0.0028571 k( 130) = ( 0.2513742 0.6561898 0.6861322), wk = 0.0028571 k( 131) = ( 0.2681325 0.6660914 0.6797082), wk = 0.0028571 k( 132) = ( 0.2848908 0.6759929 0.6732843), wk = 0.0028571 k( 133) = ( 0.2848908 0.6759929 0.6732843), wk = 0.0028571 k( 134) = ( 0.2907046 0.6690679 0.6550874), wk = 0.0028571 k( 135) = ( 0.2965183 0.6621430 0.6368906), wk = 0.0028571 k( 136) = ( 0.3023321 0.6552181 0.6186937), wk = 0.0028571 k( 137) = ( 0.3081458 0.6482931 0.6004968), wk = 0.0028571 k( 138) = ( 0.3139596 0.6413682 0.5822999), wk = 0.0028571 k( 139) = ( 0.3197734 0.6344433 0.5641031), wk = 0.0028571 k( 140) = ( 0.3255871 0.6275184 0.5459062), wk = 0.0028571 k( 141) = ( 0.3314009 0.6205934 0.5277093), wk = 0.0028571 k( 142) = ( 0.3372147 0.6136685 0.5095124), wk = 0.0028571 k( 143) = ( 0.3430284 0.6067436 0.4913156), wk = 0.0028571 k( 144) = ( 0.3488422 0.5998186 0.4731187), wk = 0.0028571 k( 145) = ( 0.3546559 0.5928937 0.4549218), wk = 0.0028571 k( 146) = ( 0.3604697 0.5859688 0.4367250), wk = 0.0028571 k( 147) = ( 0.3662835 0.5790438 0.4185281), wk = 0.0028571 k( 148) = ( 0.3720972 0.5721189 0.4003312), wk = 0.0028571 k( 149) = ( 0.3779110 0.5651940 0.3821343), wk = 0.0028571 k( 150) = ( 0.3837248 0.5582690 0.3639375), wk = 0.0028571 k( 151) = ( 0.3895385 0.5513441 0.3457406), wk = 0.0028571 k( 152) = ( 0.3953523 0.5444192 0.3275437), wk = 0.0028571 k( 153) = ( 0.4011660 0.5374943 0.3093468), wk = 0.0028571 k( 154) = ( 0.4069798 0.5305693 0.2911500), wk = 0.0028571 k( 155) = ( 0.4127936 0.5236444 0.2729531), wk = 0.0028571 k( 156) = ( 0.4186073 0.5167195 0.2547562), wk = 0.0028571 k( 157) = ( 0.4244211 0.5097945 0.2365593), wk = 0.0028571 k( 158) = ( 0.4302349 0.5028696 0.2183625), wk = 0.0028571 k( 159) = ( 0.4360486 0.4959447 0.2001656), wk = 0.0028571 k( 160) = ( 0.4418624 0.4890197 0.1819687), wk = 0.0028571 k( 161) = ( 0.4476761 0.4820948 0.1637718), wk = 0.0028571 k( 162) = ( 0.4534899 0.4751699 0.1455750), wk = 0.0028571 k( 163) = ( 0.4593037 0.4682449 0.1273781), wk = 0.0028571 k( 164) = ( 0.4651174 0.4613200 0.1091812), wk = 0.0028571 k( 165) = ( 0.4709312 0.4543951 0.0909844), wk = 0.0028571 k( 166) = ( 0.4767450 0.4474701 0.0727875), wk = 0.0028571 k( 167) = ( 0.4825587 0.4405452 0.0545906), wk = 0.0028571 k( 168) = ( 0.4883725 0.4336203 0.0363937), wk = 0.0028571 k( 169) = ( 0.4941862 0.4266954 0.0181969), wk = 0.0028571 k( 170) = ( 0.5000000 0.4197704 -0.0000000), wk = 0.0028571 k( 171) = ( 0.5000000 0.4197704 -0.0000000), wk = 0.0028571 k( 172) = ( 0.4843750 0.4066526 -0.0000000), wk = 0.0028571 k( 173) = ( 0.4687500 0.3935348 -0.0000000), wk = 0.0028571 k( 174) = ( 0.4531250 0.3804169 -0.0000000), wk = 0.0028571 k( 175) = ( 0.4375000 0.3672991 -0.0000000), wk = 0.0028571 k( 176) = ( 0.4218750 0.3541813 -0.0000000), wk = 0.0028571 k( 177) = ( 0.4062500 0.3410635 -0.0000000), wk = 0.0028571 k( 178) = ( 0.3906250 0.3279456 -0.0000000), wk = 0.0028571 k( 179) = ( 0.3750000 0.3148278 -0.0000000), wk = 0.0028571 k( 180) = ( 0.3593750 0.3017100 -0.0000000), wk = 0.0028571 k( 181) = ( 0.3437500 0.2885922 -0.0000000), wk = 0.0028571 k( 182) = ( 0.3281250 0.2754743 -0.0000000), wk = 0.0028571 k( 183) = ( 0.3125000 0.2623565 -0.0000000), wk = 0.0028571 k( 184) = ( 0.2968750 0.2492387 -0.0000000), wk = 0.0028571 k( 185) = ( 0.2812500 0.2361209 -0.0000000), wk = 0.0028571 k( 186) = ( 0.2656250 0.2230030 -0.0000000), wk = 0.0028571 k( 187) = ( 0.2500000 0.2098852 -0.0000000), wk = 0.0028571 k( 188) = ( 0.2343750 0.1967674 -0.0000000), wk = 0.0028571 k( 189) = ( 0.2187500 0.1836496 -0.0000000), wk = 0.0028571 k( 190) = ( 0.2031250 0.1705317 -0.0000000), wk = 0.0028571 k( 191) = ( 0.1875000 0.1574139 -0.0000000), wk = 0.0028571 k( 192) = ( 0.1718750 0.1442961 -0.0000000), wk = 0.0028571 k( 193) = ( 0.1562500 0.1311783 -0.0000000), wk = 0.0028571 k( 194) = ( 0.1406250 0.1180604 -0.0000000), wk = 0.0028571 k( 195) = ( 0.1250000 0.1049426 -0.0000000), wk = 0.0028571 k( 196) = ( 0.1093750 0.0918248 -0.0000000), wk = 0.0028571 k( 197) = ( 0.0937500 0.0787070 -0.0000000), wk = 0.0028571 k( 198) = ( 0.0781250 0.0655891 -0.0000000), wk = 0.0028571 k( 199) = ( 0.0625000 0.0524713 -0.0000000), wk = 0.0028571 k( 200) = ( 0.0468750 0.0393535 -0.0000000), wk = 0.0028571 k( 201) = ( 0.0312500 0.0262357 -0.0000000), wk = 0.0028571 k( 202) = ( 0.0156250 0.0131178 -0.0000000), wk = 0.0028571 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 205) = ( 0.0118581 -0.0141245 0.0091637), wk = 0.0028571 k( 206) = ( 0.0237161 -0.0282490 0.0183274), wk = 0.0028571 k( 207) = ( 0.0355742 -0.0423734 0.0274912), wk = 0.0028571 k( 208) = ( 0.0474323 -0.0564979 0.0366549), wk = 0.0028571 k( 209) = ( 0.0592904 -0.0706224 0.0458186), wk = 0.0028571 k( 210) = ( 0.0711484 -0.0847468 0.0549823), wk = 0.0028571 k( 211) = ( 0.0830065 -0.0988713 0.0641460), wk = 0.0028571 k( 212) = ( 0.0948646 -0.1129958 0.0733098), wk = 0.0028571 k( 213) = ( 0.1067227 -0.1271203 0.0824735), wk = 0.0028571 k( 214) = ( 0.1185807 -0.1412447 0.0916372), wk = 0.0028571 k( 215) = ( 0.1304388 -0.1553692 0.1008009), wk = 0.0028571 k( 216) = ( 0.1422969 -0.1694937 0.1099646), wk = 0.0028571 k( 217) = ( 0.1541550 -0.1836182 0.1191283), wk = 0.0028571 k( 218) = ( 0.1660130 -0.1977426 0.1282921), wk = 0.0028571 k( 219) = ( 0.1778711 -0.2118671 0.1374558), wk = 0.0028571 k( 220) = ( 0.1897292 -0.2259916 0.1466195), wk = 0.0028571 k( 221) = ( 0.2015872 -0.2401161 0.1557832), wk = 0.0028571 k( 222) = ( 0.2134453 -0.2542405 0.1649469), wk = 0.0028571 k( 223) = ( 0.2253034 -0.2683650 0.1741107), wk = 0.0028571 k( 224) = ( 0.2371615 -0.2824895 0.1832744), wk = 0.0028571 k( 225) = ( 0.2490195 -0.2966140 0.1924381), wk = 0.0028571 k( 226) = ( 0.2608776 -0.3107384 0.2016018), wk = 0.0028571 k( 227) = ( 0.2727357 -0.3248629 0.2107655), wk = 0.0028571 k( 228) = ( 0.2845938 -0.3389874 0.2199293), wk = 0.0028571 k( 229) = ( 0.2964518 -0.3531119 0.2290930), wk = 0.0028571 k( 230) = ( 0.3083099 -0.3672363 0.2382567), wk = 0.0028571 k( 231) = ( 0.3201680 -0.3813608 0.2474204), wk = 0.0028571 k( 232) = ( 0.3320261 -0.3954853 0.2565841), wk = 0.0028571 k( 233) = ( 0.3438841 -0.4096098 0.2657479), wk = 0.0028571 k( 234) = ( 0.3557422 -0.4237342 0.2749116), wk = 0.0028571 k( 235) = ( 0.3676003 -0.4378587 0.2840753), wk = 0.0028571 k( 236) = ( 0.3794583 -0.4519832 0.2932390), wk = 0.0028571 k( 237) = ( 0.3913164 -0.4661077 0.3024027), wk = 0.0028571 k( 238) = ( 0.3913164 -0.4661077 0.3024027), wk = 0.0028571 k( 239) = ( 0.3967506 -0.4471971 0.2969424), wk = 0.0028571 k( 240) = ( 0.4021848 -0.4282866 0.2914820), wk = 0.0028571 k( 241) = ( 0.4076190 -0.4093760 0.2860217), wk = 0.0028571 k( 242) = ( 0.4130531 -0.3904655 0.2805613), wk = 0.0028571 k( 243) = ( 0.4184873 -0.3715549 0.2751010), wk = 0.0028571 k( 244) = ( 0.4239215 -0.3526443 0.2696406), wk = 0.0028571 k( 245) = ( 0.4293557 -0.3337338 0.2641803), wk = 0.0028571 k( 246) = ( 0.4347898 -0.3148232 0.2587200), wk = 0.0028571 k( 247) = ( 0.4402240 -0.2959127 0.2532596), wk = 0.0028571 k( 248) = ( 0.4456582 -0.2770021 0.2477993), wk = 0.0028571 k( 249) = ( 0.4510924 -0.2580916 0.2423389), wk = 0.0028571 k( 250) = ( 0.4565266 -0.2391810 0.2368786), wk = 0.0028571 k( 251) = ( 0.4619607 -0.2202705 0.2314182), wk = 0.0028571 k( 252) = ( 0.4673949 -0.2013599 0.2259579), wk = 0.0028571 k( 253) = ( 0.4728291 -0.1824494 0.2204975), wk = 0.0028571 k( 254) = ( 0.4782633 -0.1635388 0.2150372), wk = 0.0028571 k( 255) = ( 0.4836975 -0.1446283 0.2095768), wk = 0.0028571 k( 256) = ( 0.4891316 -0.1257177 0.2041165), wk = 0.0028571 k( 257) = ( 0.4945658 -0.1068072 0.1986561), wk = 0.0028571 k( 258) = ( 0.5000000 -0.0878966 0.1931958), wk = 0.0028571 k( 259) = ( 0.5000000 -0.0878966 0.1931958), wk = 0.0028571 k( 260) = ( 0.4940476 -0.0808066 0.2118265), wk = 0.0028571 k( 261) = ( 0.4880952 -0.0737165 0.2304573), wk = 0.0028571 k( 262) = ( 0.4821429 -0.0666265 0.2490880), wk = 0.0028571 k( 263) = ( 0.4761905 -0.0595364 0.2677187), wk = 0.0028571 k( 264) = ( 0.4702381 -0.0524464 0.2863495), wk = 0.0028571 k( 265) = ( 0.4642857 -0.0453563 0.3049803), wk = 0.0028571 k( 266) = ( 0.4583333 -0.0382663 0.3236110), wk = 0.0028571 k( 267) = ( 0.4523810 -0.0311763 0.3422417), wk = 0.0028571 k( 268) = ( 0.4464286 -0.0240862 0.3608725), wk = 0.0028571 k( 269) = ( 0.4404762 -0.0169962 0.3795032), wk = 0.0028571 k( 270) = ( 0.4345238 -0.0099061 0.3981340), wk = 0.0028571 k( 271) = ( 0.4285714 -0.0028161 0.4167647), wk = 0.0028571 k( 272) = ( 0.4226190 0.0042740 0.4353954), wk = 0.0028571 k( 273) = ( 0.4166667 0.0113640 0.4540262), wk = 0.0028571 k( 274) = ( 0.4107143 0.0184540 0.4726569), wk = 0.0028571 k( 275) = ( 0.4047619 0.0255441 0.4912877), wk = 0.0028571 k( 276) = ( 0.3988095 0.0326341 0.5099184), wk = 0.0028571 k( 277) = ( 0.3928571 0.0397242 0.5285492), wk = 0.0028571 k( 278) = ( 0.3869048 0.0468142 0.5471799), wk = 0.0028571 k( 279) = ( 0.3809524 0.0539043 0.5658107), wk = 0.0028571 k( 280) = ( 0.3750000 0.0609943 0.5844414), wk = 0.0028571 k( 281) = ( 0.3690476 0.0680843 0.6030721), wk = 0.0028571 k( 282) = ( 0.3630952 0.0751744 0.6217029), wk = 0.0028571 k( 283) = ( 0.3571429 0.0822644 0.6403336), wk = 0.0028571 k( 284) = ( 0.3511905 0.0893545 0.6589644), wk = 0.0028571 k( 285) = ( 0.3452381 0.0964445 0.6775951), wk = 0.0028571 k( 286) = ( 0.3392857 0.1035346 0.6962259), wk = 0.0028571 k( 287) = ( 0.3333333 0.1106246 0.7148566), wk = 0.0028571 k( 288) = ( 0.3273810 0.1177147 0.7334874), wk = 0.0028571 k( 289) = ( 0.3214286 0.1248047 0.7521181), wk = 0.0028571 k( 290) = ( 0.3154762 0.1318947 0.7707488), wk = 0.0028571 k( 291) = ( 0.3095238 0.1389848 0.7893796), wk = 0.0028571 k( 292) = ( 0.3035714 0.1460748 0.8080103), wk = 0.0028571 k( 293) = ( 0.2976190 0.1531649 0.8266411), wk = 0.0028571 k( 294) = ( 0.2916667 0.1602549 0.8452718), wk = 0.0028571 k( 295) = ( 0.2857143 0.1673449 0.8639026), wk = 0.0028571 k( 296) = ( 0.2797619 0.1744350 0.8825333), wk = 0.0028571 k( 297) = ( 0.2738095 0.1815250 0.9011641), wk = 0.0028571 k( 298) = ( 0.2678571 0.1886151 0.9197948), wk = 0.0028571 k( 299) = ( 0.2619048 0.1957051 0.9384255), wk = 0.0028571 k( 300) = ( 0.2559524 0.2027952 0.9570563), wk = 0.0028571 k( 301) = ( 0.2500000 0.2098852 0.9756870), wk = 0.0028571 k( 302) = ( 0.1762072 -0.2098852 0.9756870), wk = 0.0028571 k( 303) = ( 0.1820210 -0.2168101 0.9574902), wk = 0.0028571 k( 304) = ( 0.1878347 -0.2237351 0.9392933), wk = 0.0028571 k( 305) = ( 0.1936485 -0.2306600 0.9210964), wk = 0.0028571 k( 306) = ( 0.1994623 -0.2375849 0.9028995), wk = 0.0028571 k( 307) = ( 0.2052760 -0.2445099 0.8847027), wk = 0.0028571 k( 308) = ( 0.2110898 -0.2514348 0.8665058), wk = 0.0028571 k( 309) = ( 0.2169036 -0.2583597 0.8483089), wk = 0.0028571 k( 310) = ( 0.2227173 -0.2652847 0.8301120), wk = 0.0028571 k( 311) = ( 0.2285311 -0.2722096 0.8119152), wk = 0.0028571 k( 312) = ( 0.2343448 -0.2791345 0.7937183), wk = 0.0028571 k( 313) = ( 0.2401586 -0.2860595 0.7755214), wk = 0.0028571 k( 314) = ( 0.2459724 -0.2929844 0.7573246), wk = 0.0028571 k( 315) = ( 0.2517861 -0.2999093 0.7391277), wk = 0.0028571 k( 316) = ( 0.2575999 -0.3068342 0.7209308), wk = 0.0028571 k( 317) = ( 0.2634136 -0.3137592 0.7027339), wk = 0.0028571 k( 318) = ( 0.2692274 -0.3206841 0.6845371), wk = 0.0028571 k( 319) = ( 0.2750412 -0.3276090 0.6663402), wk = 0.0028571 k( 320) = ( 0.2808549 -0.3345340 0.6481433), wk = 0.0028571 k( 321) = ( 0.2866687 -0.3414589 0.6299465), wk = 0.0028571 k( 322) = ( 0.2924825 -0.3483838 0.6117496), wk = 0.0028571 k( 323) = ( 0.2982962 -0.3553088 0.5935527), wk = 0.0028571 k( 324) = ( 0.3041100 -0.3622337 0.5753558), wk = 0.0028571 k( 325) = ( 0.3099237 -0.3691586 0.5571590), wk = 0.0028571 k( 326) = ( 0.3157375 -0.3760836 0.5389621), wk = 0.0028571 k( 327) = ( 0.3215513 -0.3830085 0.5207652), wk = 0.0028571 k( 328) = ( 0.3273650 -0.3899334 0.5025683), wk = 0.0028571 k( 329) = ( 0.3331788 -0.3968584 0.4843715), wk = 0.0028571 k( 330) = ( 0.3389926 -0.4037833 0.4661746), wk = 0.0028571 k( 331) = ( 0.3448063 -0.4107082 0.4479777), wk = 0.0028571 k( 332) = ( 0.3506201 -0.4176331 0.4297809), wk = 0.0028571 k( 333) = ( 0.3564338 -0.4245581 0.4115840), wk = 0.0028571 k( 334) = ( 0.3622476 -0.4314830 0.3933871), wk = 0.0028571 k( 335) = ( 0.3680614 -0.4384079 0.3751902), wk = 0.0028571 k( 336) = ( 0.3738751 -0.4453329 0.3569934), wk = 0.0028571 k( 337) = ( 0.3796889 -0.4522578 0.3387965), wk = 0.0028571 k( 338) = ( 0.3855027 -0.4591827 0.3205996), wk = 0.0028571 k( 339) = ( 0.3913164 -0.4661077 0.3024027), wk = 0.0028571 k( 340) = ( 0.6086836 0.2903144 0.0839888), wk = 0.0028571 k( 341) = ( 0.5978152 0.3032600 0.0755900), wk = 0.0028571 k( 342) = ( 0.5869469 0.3162056 0.0671911), wk = 0.0028571 k( 343) = ( 0.5760785 0.3291512 0.0587922), wk = 0.0028571 k( 344) = ( 0.5652101 0.3420968 0.0503933), wk = 0.0028571 k( 345) = ( 0.5543418 0.3550424 0.0419944), wk = 0.0028571 k( 346) = ( 0.5434734 0.3679880 0.0335955), wk = 0.0028571 k( 347) = ( 0.5326051 0.3809336 0.0251966), wk = 0.0028571 k( 348) = ( 0.5217367 0.3938792 0.0167978), wk = 0.0028571 k( 349) = ( 0.5108684 0.4068248 0.0083989), wk = 0.0028571 k( 350) = ( 0.5000000 0.4197704 -0.0000000), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( -0.0059352 0.0059352 0.0059352), wk = 0.0028571 k( 3) = ( -0.0118704 0.0118704 0.0118705), wk = 0.0028571 k( 4) = ( -0.0178057 0.0178057 0.0178057), wk = 0.0028571 k( 5) = ( -0.0237409 0.0237409 0.0237409), wk = 0.0028571 k( 6) = ( -0.0296761 0.0296761 0.0296761), wk = 0.0028571 k( 7) = ( -0.0356113 0.0356113 0.0356113), wk = 0.0028571 k( 8) = ( -0.0415466 0.0415466 0.0415466), wk = 0.0028571 k( 9) = ( -0.0474818 0.0474818 0.0474818), wk = 0.0028571 k( 10) = ( -0.0534170 0.0534170 0.0534170), wk = 0.0028571 k( 11) = ( -0.0593523 0.0593523 0.0593523), wk = 0.0028571 k( 12) = ( -0.0652875 0.0652875 0.0652875), wk = 0.0028571 k( 13) = ( -0.0712227 0.0712227 0.0712227), wk = 0.0028571 k( 14) = ( -0.0771579 0.0771579 0.0771579), wk = 0.0028571 k( 15) = ( -0.0830932 0.0830932 0.0830932), wk = 0.0028571 k( 16) = ( -0.0890284 0.0890284 0.0890284), wk = 0.0028571 k( 17) = ( -0.0949636 0.0949636 0.0949636), wk = 0.0028571 k( 18) = ( -0.1008988 0.1008988 0.1008988), wk = 0.0028571 k( 19) = ( -0.1068340 0.1068340 0.1068340), wk = 0.0028571 k( 20) = ( -0.1127693 0.1127693 0.1127693), wk = 0.0028571 k( 21) = ( -0.1187045 0.1187045 0.1187045), wk = 0.0028571 k( 22) = ( -0.1246397 0.1246397 0.1246397), wk = 0.0028571 k( 23) = ( -0.1305749 0.1305749 0.1305749), wk = 0.0028571 k( 24) = ( -0.1365102 0.1365102 0.1365102), wk = 0.0028571 k( 25) = ( -0.1424454 0.1424454 0.1424454), wk = 0.0028571 k( 26) = ( -0.1483806 0.1483806 0.1483806), wk = 0.0028571 k( 27) = ( -0.1543158 0.1543158 0.1543158), wk = 0.0028571 k( 28) = ( -0.1602511 0.1602511 0.1602511), wk = 0.0028571 k( 29) = ( -0.1661863 0.1661863 0.1661863), wk = 0.0028571 k( 30) = ( -0.1721215 0.1721215 0.1721215), wk = 0.0028571 k( 31) = ( -0.1780567 0.1780567 0.1780567), wk = 0.0028571 k( 32) = ( -0.1839920 0.1839920 0.1839920), wk = 0.0028571 k( 33) = ( -0.1899272 0.1899272 0.1899272), wk = 0.0028571 k( 34) = ( -0.1958624 0.1958624 0.1958624), wk = 0.0028571 k( 35) = ( -0.2017976 0.2017976 0.2017976), wk = 0.0028571 k( 36) = ( -0.2077329 0.2077329 0.2077329), wk = 0.0028571 k( 37) = ( -0.2136681 0.2136681 0.2136681), wk = 0.0028571 k( 38) = ( -0.2196033 0.2196033 0.2196033), wk = 0.0028571 k( 39) = ( -0.2255385 0.2255385 0.2255385), wk = 0.0028571 k( 40) = ( -0.2314738 0.2314738 0.2314738), wk = 0.0028571 k( 41) = ( -0.2374090 0.2374090 0.2374090), wk = 0.0028571 k( 42) = ( -0.2433442 0.2433442 0.2433442), wk = 0.0028571 k( 43) = ( -0.2492794 0.2492794 0.2492794), wk = 0.0028571 k( 44) = ( -0.2552147 0.2552147 0.2552147), wk = 0.0028571 k( 45) = ( -0.2611499 0.2611499 0.2611499), wk = 0.0028571 k( 46) = ( -0.2670851 0.2670851 0.2670851), wk = 0.0028571 k( 47) = ( -0.2730203 0.2730203 0.2730203), wk = 0.0028571 k( 48) = ( -0.2789556 0.2789556 0.2789556), wk = 0.0028571 k( 49) = ( -0.2848908 0.2848908 0.2848908), wk = 0.0028571 k( 50) = ( -0.2848908 0.2848908 0.2848908), wk = 0.0028571 k( 51) = ( -0.2740224 0.2740224 0.2957592), wk = 0.0028571 k( 52) = ( -0.2631541 0.2631541 0.3066275), wk = 0.0028571 k( 53) = ( -0.2522857 0.2522857 0.3174959), wk = 0.0028571 k( 54) = ( -0.2414174 0.2414174 0.3283642), wk = 0.0028571 k( 55) = ( -0.2305490 0.2305490 0.3392326), wk = 0.0028571 k( 56) = ( -0.2196806 0.2196806 0.3501009), wk = 0.0028571 k( 57) = ( -0.2088123 0.2088123 0.3609693), wk = 0.0028571 k( 58) = ( -0.1979439 0.1979439 0.3718377), wk = 0.0028571 k( 59) = ( -0.1870756 0.1870756 0.3827060), wk = 0.0028571 k( 60) = ( -0.1762072 0.1762072 0.3935744), wk = 0.0028571 k( 61) = ( -0.1762072 0.1762072 0.3935744), wk = 0.0028571 k( 62) = ( -0.1636210 0.1636210 0.4011762), wk = 0.0028571 k( 63) = ( -0.1510347 0.1510348 0.4087780), wk = 0.0028571 k( 64) = ( -0.1384485 0.1384485 0.4163799), wk = 0.0028571 k( 65) = ( -0.1258623 0.1258623 0.4239817), wk = 0.0028571 k( 66) = ( -0.1132761 0.1132761 0.4315835), wk = 0.0028571 k( 67) = ( -0.1006898 0.1006898 0.4391853), wk = 0.0028571 k( 68) = ( -0.0881036 0.0881036 0.4467872), wk = 0.0028571 k( 69) = ( -0.0755174 0.0755174 0.4543890), wk = 0.0028571 k( 70) = ( -0.0629312 0.0629312 0.4619909), wk = 0.0028571 k( 71) = ( -0.0503449 0.0503449 0.4695927), wk = 0.0028571 k( 72) = ( -0.0377587 0.0377587 0.4771945), wk = 0.0028571 k( 73) = ( -0.0251725 0.0251725 0.4847963), wk = 0.0028571 k( 74) = ( -0.0125862 0.0125862 0.4923982), wk = 0.0028571 k( 75) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 76) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 77) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0028571 k( 78) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0028571 k( 79) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0028571 k( 80) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0028571 k( 81) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0028571 k( 82) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0028571 k( 83) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0028571 k( 84) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0028571 k( 85) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0028571 k( 86) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0028571 k( 87) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0028571 k( 88) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0028571 k( 89) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0028571 k( 90) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0028571 k( 91) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0028571 k( 92) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 93) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 94) = ( 0.2380952 0.2619048 0.2380952), wk = 0.0028571 k( 95) = ( 0.2261905 0.2738095 0.2261905), wk = 0.0028571 k( 96) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0028571 k( 97) = ( 0.2023810 0.2976190 0.2023809), wk = 0.0028571 k( 98) = ( 0.1904762 0.3095238 0.1904762), wk = 0.0028571 k( 99) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0028571 k( 100) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0028571 k( 101) = ( 0.1547619 0.3452381 0.1547619), wk = 0.0028571 k( 102) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0028571 k( 103) = ( 0.1309524 0.3690476 0.1309524), wk = 0.0028571 k( 104) = ( 0.1190476 0.3809524 0.1190476), wk = 0.0028571 k( 105) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0028571 k( 106) = ( 0.0952381 0.4047619 0.0952381), wk = 0.0028571 k( 107) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0028571 k( 108) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0028571 k( 109) = ( 0.0595238 0.4404762 0.0595238), wk = 0.0028571 k( 110) = ( 0.0476191 0.4523810 0.0476191), wk = 0.0028571 k( 111) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0028571 k( 112) = ( 0.0238095 0.4761905 0.0238095), wk = 0.0028571 k( 113) = ( 0.0119048 0.4880952 0.0119048), wk = 0.0028571 k( 114) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 115) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 116) = ( 0.0167583 0.5126535 -0.0167583), wk = 0.0028571 k( 117) = ( 0.0335166 0.5253070 -0.0335166), wk = 0.0028571 k( 118) = ( 0.0502749 0.5379604 -0.0502748), wk = 0.0028571 k( 119) = ( 0.0670331 0.5506139 -0.0670331), wk = 0.0028571 k( 120) = ( 0.0837914 0.5632674 -0.0837914), wk = 0.0028571 k( 121) = ( 0.1005497 0.5759209 -0.1005497), wk = 0.0028571 k( 122) = ( 0.1173080 0.5885744 -0.1173080), wk = 0.0028571 k( 123) = ( 0.1340662 0.6012279 -0.1340662), wk = 0.0028571 k( 124) = ( 0.1508245 0.6138813 -0.1508245), wk = 0.0028571 k( 125) = ( 0.1675828 0.6265348 -0.1675828), wk = 0.0028571 k( 126) = ( 0.1843411 0.6391883 -0.1843411), wk = 0.0028571 k( 127) = ( 0.2010994 0.6518418 -0.2010994), wk = 0.0028571 k( 128) = ( 0.2178577 0.6644953 -0.2178577), wk = 0.0028571 k( 129) = ( 0.2346159 0.6771488 -0.2346159), wk = 0.0028571 k( 130) = ( 0.2513742 0.6898022 -0.2513742), wk = 0.0028571 k( 131) = ( 0.2681325 0.7024557 -0.2681325), wk = 0.0028571 k( 132) = ( 0.2848908 0.7151092 -0.2848908), wk = 0.0028571 k( 133) = ( 0.2848908 0.7151092 -0.2848908), wk = 0.0028571 k( 134) = ( 0.2907046 0.7092955 -0.2907045), wk = 0.0028571 k( 135) = ( 0.2965183 0.7034817 -0.2965183), wk = 0.0028571 k( 136) = ( 0.3023321 0.6976679 -0.3023321), wk = 0.0028571 k( 137) = ( 0.3081458 0.6918542 -0.3081458), wk = 0.0028571 k( 138) = ( 0.3139596 0.6860404 -0.3139596), wk = 0.0028571 k( 139) = ( 0.3197734 0.6802266 -0.3197734), wk = 0.0028571 k( 140) = ( 0.3255871 0.6744129 -0.3255871), wk = 0.0028571 k( 141) = ( 0.3314009 0.6685991 -0.3314009), wk = 0.0028571 k( 142) = ( 0.3372147 0.6627853 -0.3372147), wk = 0.0028571 k( 143) = ( 0.3430284 0.6569716 -0.3430284), wk = 0.0028571 k( 144) = ( 0.3488422 0.6511578 -0.3488422), wk = 0.0028571 k( 145) = ( 0.3546559 0.6453441 -0.3546559), wk = 0.0028571 k( 146) = ( 0.3604697 0.6395303 -0.3604697), wk = 0.0028571 k( 147) = ( 0.3662835 0.6337165 -0.3662835), wk = 0.0028571 k( 148) = ( 0.3720972 0.6279028 -0.3720972), wk = 0.0028571 k( 149) = ( 0.3779110 0.6220890 -0.3779110), wk = 0.0028571 k( 150) = ( 0.3837248 0.6162753 -0.3837247), wk = 0.0028571 k( 151) = ( 0.3895385 0.6104615 -0.3895385), wk = 0.0028571 k( 152) = ( 0.3953523 0.6046477 -0.3953523), wk = 0.0028571 k( 153) = ( 0.4011660 0.5988340 -0.4011660), wk = 0.0028571 k( 154) = ( 0.4069798 0.5930202 -0.4069798), wk = 0.0028571 k( 155) = ( 0.4127936 0.5872064 -0.4127936), wk = 0.0028571 k( 156) = ( 0.4186073 0.5813927 -0.4186073), wk = 0.0028571 k( 157) = ( 0.4244211 0.5755789 -0.4244211), wk = 0.0028571 k( 158) = ( 0.4302349 0.5697652 -0.4302349), wk = 0.0028571 k( 159) = ( 0.4360486 0.5639514 -0.4360486), wk = 0.0028571 k( 160) = ( 0.4418624 0.5581376 -0.4418624), wk = 0.0028571 k( 161) = ( 0.4476761 0.5523239 -0.4476761), wk = 0.0028571 k( 162) = ( 0.4534899 0.5465101 -0.4534899), wk = 0.0028571 k( 163) = ( 0.4593037 0.5406963 -0.4593037), wk = 0.0028571 k( 164) = ( 0.4651174 0.5348826 -0.4651174), wk = 0.0028571 k( 165) = ( 0.4709312 0.5290688 -0.4709312), wk = 0.0028571 k( 166) = ( 0.4767450 0.5232550 -0.4767450), wk = 0.0028571 k( 167) = ( 0.4825587 0.5174413 -0.4825587), wk = 0.0028571 k( 168) = ( 0.4883725 0.5116275 -0.4883725), wk = 0.0028571 k( 169) = ( 0.4941862 0.5058138 -0.4941862), wk = 0.0028571 k( 170) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 171) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 172) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0028571 k( 173) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0028571 k( 174) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0028571 k( 175) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0028571 k( 176) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0028571 k( 177) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0028571 k( 178) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0028571 k( 179) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0028571 k( 180) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0028571 k( 181) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0028571 k( 182) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0028571 k( 183) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0028571 k( 184) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0028571 k( 185) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0028571 k( 186) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0028571 k( 187) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028571 k( 188) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0028571 k( 189) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0028571 k( 190) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0028571 k( 191) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0028571 k( 192) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0028571 k( 193) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0028571 k( 194) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0028571 k( 195) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0028571 k( 196) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0028571 k( 197) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0028571 k( 198) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0028571 k( 199) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0028571 k( 200) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0028571 k( 201) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0028571 k( 202) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0028571 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 205) = ( 0.0118581 -0.0118581 0.0118581), wk = 0.0028571 k( 206) = ( 0.0237161 -0.0237161 0.0237161), wk = 0.0028571 k( 207) = ( 0.0355742 -0.0355742 0.0355742), wk = 0.0028571 k( 208) = ( 0.0474323 -0.0474323 0.0474323), wk = 0.0028571 k( 209) = ( 0.0592904 -0.0592904 0.0592904), wk = 0.0028571 k( 210) = ( 0.0711484 -0.0711484 0.0711484), wk = 0.0028571 k( 211) = ( 0.0830065 -0.0830065 0.0830065), wk = 0.0028571 k( 212) = ( 0.0948646 -0.0948646 0.0948646), wk = 0.0028571 k( 213) = ( 0.1067227 -0.1067227 0.1067227), wk = 0.0028571 k( 214) = ( 0.1185807 -0.1185807 0.1185807), wk = 0.0028571 k( 215) = ( 0.1304388 -0.1304388 0.1304388), wk = 0.0028571 k( 216) = ( 0.1422969 -0.1422969 0.1422969), wk = 0.0028571 k( 217) = ( 0.1541550 -0.1541549 0.1541550), wk = 0.0028571 k( 218) = ( 0.1660130 -0.1660130 0.1660130), wk = 0.0028571 k( 219) = ( 0.1778711 -0.1778711 0.1778711), wk = 0.0028571 k( 220) = ( 0.1897292 -0.1897292 0.1897292), wk = 0.0028571 k( 221) = ( 0.2015872 -0.2015873 0.2015872), wk = 0.0028571 k( 222) = ( 0.2134453 -0.2134453 0.2134453), wk = 0.0028571 k( 223) = ( 0.2253034 -0.2253034 0.2253034), wk = 0.0028571 k( 224) = ( 0.2371615 -0.2371615 0.2371615), wk = 0.0028571 k( 225) = ( 0.2490195 -0.2490195 0.2490195), wk = 0.0028571 k( 226) = ( 0.2608776 -0.2608776 0.2608776), wk = 0.0028571 k( 227) = ( 0.2727357 -0.2727357 0.2727357), wk = 0.0028571 k( 228) = ( 0.2845938 -0.2845938 0.2845938), wk = 0.0028571 k( 229) = ( 0.2964518 -0.2964518 0.2964518), wk = 0.0028571 k( 230) = ( 0.3083099 -0.3083099 0.3083099), wk = 0.0028571 k( 231) = ( 0.3201680 -0.3201680 0.3201680), wk = 0.0028571 k( 232) = ( 0.3320261 -0.3320261 0.3320261), wk = 0.0028571 k( 233) = ( 0.3438841 -0.3438841 0.3438841), wk = 0.0028571 k( 234) = ( 0.3557422 -0.3557422 0.3557422), wk = 0.0028571 k( 235) = ( 0.3676003 -0.3676003 0.3676003), wk = 0.0028571 k( 236) = ( 0.3794583 -0.3794583 0.3794583), wk = 0.0028571 k( 237) = ( 0.3913164 -0.3913164 0.3913164), wk = 0.0028571 k( 238) = ( 0.3913164 -0.3913164 0.3913164), wk = 0.0028571 k( 239) = ( 0.3967506 -0.3717506 0.3717506), wk = 0.0028571 k( 240) = ( 0.4021848 -0.3521848 0.3521848), wk = 0.0028571 k( 241) = ( 0.4076190 -0.3326190 0.3326190), wk = 0.0028571 k( 242) = ( 0.4130531 -0.3130531 0.3130531), wk = 0.0028571 k( 243) = ( 0.4184873 -0.2934873 0.2934873), wk = 0.0028571 k( 244) = ( 0.4239215 -0.2739215 0.2739215), wk = 0.0028571 k( 245) = ( 0.4293557 -0.2543557 0.2543557), wk = 0.0028571 k( 246) = ( 0.4347898 -0.2347898 0.2347899), wk = 0.0028571 k( 247) = ( 0.4402240 -0.2152240 0.2152240), wk = 0.0028571 k( 248) = ( 0.4456582 -0.1956582 0.1956582), wk = 0.0028571 k( 249) = ( 0.4510924 -0.1760924 0.1760924), wk = 0.0028571 k( 250) = ( 0.4565266 -0.1565266 0.1565266), wk = 0.0028571 k( 251) = ( 0.4619607 -0.1369608 0.1369607), wk = 0.0028571 k( 252) = ( 0.4673949 -0.1173949 0.1173949), wk = 0.0028571 k( 253) = ( 0.4728291 -0.0978291 0.0978291), wk = 0.0028571 k( 254) = ( 0.4782633 -0.0782633 0.0782633), wk = 0.0028571 k( 255) = ( 0.4836975 -0.0586975 0.0586975), wk = 0.0028571 k( 256) = ( 0.4891316 -0.0391316 0.0391316), wk = 0.0028571 k( 257) = ( 0.4945658 -0.0195658 0.0195658), wk = 0.0028571 k( 258) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0028571 k( 259) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0028571 k( 260) = ( 0.4940476 0.0059524 0.0059524), wk = 0.0028571 k( 261) = ( 0.4880952 0.0119048 0.0119048), wk = 0.0028571 k( 262) = ( 0.4821429 0.0178571 0.0178571), wk = 0.0028571 k( 263) = ( 0.4761905 0.0238095 0.0238095), wk = 0.0028571 k( 264) = ( 0.4702381 0.0297619 0.0297619), wk = 0.0028571 k( 265) = ( 0.4642857 0.0357143 0.0357143), wk = 0.0028571 k( 266) = ( 0.4583333 0.0416667 0.0416667), wk = 0.0028571 k( 267) = ( 0.4523810 0.0476190 0.0476191), wk = 0.0028571 k( 268) = ( 0.4464286 0.0535714 0.0535714), wk = 0.0028571 k( 269) = ( 0.4404762 0.0595238 0.0595238), wk = 0.0028571 k( 270) = ( 0.4345238 0.0654762 0.0654762), wk = 0.0028571 k( 271) = ( 0.4285714 0.0714286 0.0714286), wk = 0.0028571 k( 272) = ( 0.4226190 0.0773810 0.0773810), wk = 0.0028571 k( 273) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0028571 k( 274) = ( 0.4107143 0.0892857 0.0892857), wk = 0.0028571 k( 275) = ( 0.4047619 0.0952381 0.0952381), wk = 0.0028571 k( 276) = ( 0.3988095 0.1011905 0.1011905), wk = 0.0028571 k( 277) = ( 0.3928571 0.1071429 0.1071429), wk = 0.0028571 k( 278) = ( 0.3869048 0.1130952 0.1130952), wk = 0.0028571 k( 279) = ( 0.3809524 0.1190476 0.1190476), wk = 0.0028571 k( 280) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0028571 k( 281) = ( 0.3690476 0.1309524 0.1309524), wk = 0.0028571 k( 282) = ( 0.3630952 0.1369048 0.1369048), wk = 0.0028571 k( 283) = ( 0.3571429 0.1428571 0.1428571), wk = 0.0028571 k( 284) = ( 0.3511905 0.1488095 0.1488095), wk = 0.0028571 k( 285) = ( 0.3452381 0.1547619 0.1547619), wk = 0.0028571 k( 286) = ( 0.3392857 0.1607143 0.1607143), wk = 0.0028571 k( 287) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0028571 k( 288) = ( 0.3273810 0.1726191 0.1726190), wk = 0.0028571 k( 289) = ( 0.3214286 0.1785714 0.1785714), wk = 0.0028571 k( 290) = ( 0.3154762 0.1845238 0.1845238), wk = 0.0028571 k( 291) = ( 0.3095238 0.1904762 0.1904762), wk = 0.0028571 k( 292) = ( 0.3035714 0.1964286 0.1964286), wk = 0.0028571 k( 293) = ( 0.2976190 0.2023810 0.2023810), wk = 0.0028571 k( 294) = ( 0.2916667 0.2083333 0.2083333), wk = 0.0028571 k( 295) = ( 0.2857143 0.2142857 0.2142857), wk = 0.0028571 k( 296) = ( 0.2797619 0.2202381 0.2202381), wk = 0.0028571 k( 297) = ( 0.2738095 0.2261905 0.2261905), wk = 0.0028571 k( 298) = ( 0.2678571 0.2321429 0.2321429), wk = 0.0028571 k( 299) = ( 0.2619048 0.2380952 0.2380952), wk = 0.0028571 k( 300) = ( 0.2559524 0.2440476 0.2440476), wk = 0.0028571 k( 301) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 302) = ( 0.1762072 -0.1762072 0.6064256), wk = 0.0028571 k( 303) = ( 0.1820210 -0.1820210 0.6006119), wk = 0.0028571 k( 304) = ( 0.1878347 -0.1878347 0.5947981), wk = 0.0028571 k( 305) = ( 0.1936485 -0.1936485 0.5889843), wk = 0.0028571 k( 306) = ( 0.1994623 -0.1994623 0.5831706), wk = 0.0028571 k( 307) = ( 0.2052760 -0.2052760 0.5773568), wk = 0.0028571 k( 308) = ( 0.2110898 -0.2110898 0.5715431), wk = 0.0028571 k( 309) = ( 0.2169036 -0.2169036 0.5657293), wk = 0.0028571 k( 310) = ( 0.2227173 -0.2227173 0.5599155), wk = 0.0028571 k( 311) = ( 0.2285311 -0.2285311 0.5541018), wk = 0.0028571 k( 312) = ( 0.2343448 -0.2343448 0.5482880), wk = 0.0028571 k( 313) = ( 0.2401586 -0.2401586 0.5424743), wk = 0.0028571 k( 314) = ( 0.2459724 -0.2459724 0.5366605), wk = 0.0028571 k( 315) = ( 0.2517861 -0.2517861 0.5308467), wk = 0.0028571 k( 316) = ( 0.2575999 -0.2575999 0.5250330), wk = 0.0028571 k( 317) = ( 0.2634136 -0.2634136 0.5192192), wk = 0.0028571 k( 318) = ( 0.2692274 -0.2692274 0.5134054), wk = 0.0028571 k( 319) = ( 0.2750412 -0.2750412 0.5075917), wk = 0.0028571 k( 320) = ( 0.2808549 -0.2808549 0.5017779), wk = 0.0028571 k( 321) = ( 0.2866687 -0.2866687 0.4959641), wk = 0.0028571 k( 322) = ( 0.2924825 -0.2924825 0.4901504), wk = 0.0028571 k( 323) = ( 0.2982962 -0.2982962 0.4843366), wk = 0.0028571 k( 324) = ( 0.3041100 -0.3041100 0.4785229), wk = 0.0028571 k( 325) = ( 0.3099237 -0.3099237 0.4727091), wk = 0.0028571 k( 326) = ( 0.3157375 -0.3157375 0.4668953), wk = 0.0028571 k( 327) = ( 0.3215513 -0.3215513 0.4610816), wk = 0.0028571 k( 328) = ( 0.3273650 -0.3273650 0.4552678), wk = 0.0028571 k( 329) = ( 0.3331788 -0.3331788 0.4494540), wk = 0.0028571 k( 330) = ( 0.3389926 -0.3389926 0.4436403), wk = 0.0028571 k( 331) = ( 0.3448063 -0.3448063 0.4378265), wk = 0.0028571 k( 332) = ( 0.3506201 -0.3506201 0.4320128), wk = 0.0028571 k( 333) = ( 0.3564338 -0.3564339 0.4261990), wk = 0.0028571 k( 334) = ( 0.3622476 -0.3622476 0.4203852), wk = 0.0028571 k( 335) = ( 0.3680614 -0.3680614 0.4145715), wk = 0.0028571 k( 336) = ( 0.3738751 -0.3738751 0.4087577), wk = 0.0028571 k( 337) = ( 0.3796889 -0.3796889 0.4029440), wk = 0.0028571 k( 338) = ( 0.3855027 -0.3855027 0.3971302), wk = 0.0028571 k( 339) = ( 0.3913164 -0.3913164 0.3913164), wk = 0.0028571 k( 340) = ( 0.6086836 0.3913164 -0.3913164), wk = 0.0028571 k( 341) = ( 0.5978152 0.4021848 -0.4021848), wk = 0.0028571 k( 342) = ( 0.5869469 0.4130531 -0.4130531), wk = 0.0028571 k( 343) = ( 0.5760785 0.4239215 -0.4239215), wk = 0.0028571 k( 344) = ( 0.5652101 0.4347898 -0.4347898), wk = 0.0028571 k( 345) = ( 0.5543418 0.4456582 -0.4456582), wk = 0.0028571 k( 346) = ( 0.5434734 0.4565266 -0.4565266), wk = 0.0028571 k( 347) = ( 0.5326051 0.4673949 -0.4673949), wk = 0.0028571 k( 348) = ( 0.5217367 0.4782633 -0.4782633), wk = 0.0028571 k( 349) = ( 0.5108684 0.4891316 -0.4891316), wk = 0.0028571 k( 350) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 Dense grid: 146195 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 34141 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 244, 48) NL pseudopotentials 0.24 Mb ( 122, 130) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.03 Mb ( 4062) G-vector shells 0.03 Mb ( 3685) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 244, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) The potential is recalculated from file : ./Rb2PtSe2.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 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.7 secs Computing kpt #: 10 total cpu time spent up to now is 9.3 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.4 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 11.6 secs Computing kpt #: 15 total cpu time spent up to now is 12.2 secs Computing kpt #: 16 total cpu time spent up to now is 12.8 secs Computing kpt #: 17 total cpu time spent up to now is 13.5 secs Computing kpt #: 18 total cpu time spent up to now is 14.1 secs Computing kpt #: 19 total cpu time spent up to now is 14.7 secs Computing kpt #: 20 total cpu time spent up to now is 15.4 secs Computing kpt #: 21 total cpu time spent up to now is 16.2 secs Computing kpt #: 22 total cpu time spent up to now is 16.9 secs Computing kpt #: 23 total cpu time spent up to now is 17.6 secs Computing kpt #: 24 total cpu time spent up to now is 18.2 secs Computing kpt #: 25 total cpu time spent up to now is 18.8 secs Computing kpt #: 26 total cpu time spent up to now is 19.5 secs Computing kpt #: 27 total cpu time spent up to now is 20.1 secs Computing kpt #: 28 total cpu time spent up to now is 20.7 secs Computing kpt #: 29 total cpu time spent up to now is 21.3 secs Computing kpt #: 30 total cpu time spent up to now is 22.0 secs Computing kpt #: 31 total cpu time spent up to now is 22.6 secs Computing kpt #: 32 total cpu time spent up to now is 23.2 secs Computing kpt #: 33 total cpu time spent up to now is 23.9 secs Computing kpt #: 34 total cpu time spent up to now is 24.5 secs Computing kpt #: 35 total cpu time spent up to now is 25.1 secs Computing kpt #: 36 total cpu time spent up to now is 25.8 secs Computing kpt #: 37 total cpu time spent up to now is 26.4 secs Computing kpt #: 38 total cpu time spent up to now is 27.0 secs Computing kpt #: 39 total cpu time spent up to now is 27.7 secs Computing kpt #: 40 total cpu time spent up to now is 28.5 secs Computing kpt #: 41 total cpu time spent up to now is 29.2 secs Computing kpt #: 42 total cpu time spent up to now is 29.9 secs Computing kpt #: 43 total cpu time spent up to now is 30.6 secs Computing kpt #: 44 total cpu time spent up to now is 31.3 secs Computing kpt #: 45 total cpu time spent up to now is 32.0 secs Computing kpt #: 46 total cpu time spent up to now is 32.6 secs Computing kpt #: 47 total cpu time spent up to now is 33.3 secs Computing kpt #: 48 total cpu time spent up to now is 33.9 secs Computing kpt #: 49 total cpu time spent up to now is 34.5 secs Computing kpt #: 50 total cpu time spent up to now is 35.2 secs Computing kpt #: 51 total cpu time spent up to now is 35.8 secs Computing kpt #: 52 total cpu time spent up to now is 36.4 secs Computing kpt #: 53 total cpu time spent up to now is 37.0 secs Computing kpt #: 54 total cpu time spent up to now is 37.7 secs Computing kpt #: 55 total cpu time spent up to now is 38.3 secs Computing kpt #: 56 total cpu time spent up to now is 38.9 secs Computing kpt #: 57 total cpu time spent up to now is 39.5 secs Computing kpt #: 58 total cpu time spent up to now is 40.1 secs Computing kpt #: 59 total cpu time spent up to now is 40.8 secs Computing kpt #: 60 total cpu time spent up to now is 41.4 secs Computing kpt #: 61 total cpu time spent up to now is 42.0 secs Computing kpt #: 62 total cpu time spent up to now is 42.6 secs Computing kpt #: 63 total cpu time spent up to now is 43.3 secs Computing kpt #: 64 total cpu time spent up to now is 43.9 secs Computing kpt #: 65 total cpu time spent up to now is 44.5 secs Computing kpt #: 66 total cpu time spent up to now is 45.1 secs Computing kpt #: 67 total cpu time spent up to now is 45.7 secs Computing kpt #: 68 total cpu time spent up to now is 46.3 secs Computing kpt #: 69 total cpu time spent up to now is 46.9 secs Computing kpt #: 70 total cpu time spent up to now is 47.6 secs Computing kpt #: 71 total cpu time spent up to now is 48.2 secs Computing kpt #: 72 total cpu time spent up to now is 48.8 secs Computing kpt #: 73 total cpu time spent up to now is 49.4 secs Computing kpt #: 74 total cpu time spent up to now is 50.0 secs Computing kpt #: 75 total cpu time spent up to now is 50.6 secs Computing kpt #: 76 total cpu time spent up to now is 51.2 secs Computing kpt #: 77 total cpu time spent up to now is 51.7 secs Computing kpt #: 78 total cpu time spent up to now is 52.3 secs Computing kpt #: 79 total cpu time spent up to now is 53.0 secs Computing kpt #: 80 total cpu time spent up to now is 53.6 secs Computing kpt #: 81 total cpu time spent up to now is 54.2 secs Computing kpt #: 82 total cpu time spent up to now is 54.8 secs Computing kpt #: 83 total cpu time spent up to now is 55.4 secs Computing kpt #: 84 total cpu time spent up to now is 56.0 secs Computing kpt #: 85 total cpu time spent up to now is 56.5 secs Computing kpt #: 86 total cpu time spent up to now is 57.1 secs Computing kpt #: 87 total cpu time spent up to now is 57.7 secs Computing kpt #: 88 total cpu time spent up to now is 58.3 secs Computing kpt #: 89 total cpu time spent up to now is 58.9 secs Computing kpt #: 90 total cpu time spent up to now is 59.5 secs Computing kpt #: 91 total cpu time spent up to now is 60.1 secs Computing kpt #: 92 total cpu time spent up to now is 60.6 secs Computing kpt #: 93 total cpu time spent up to now is 61.2 secs Computing kpt #: 94 total cpu time spent up to now is 61.8 secs Computing kpt #: 95 total cpu time spent up to now is 62.4 secs Computing kpt #: 96 total cpu time spent up to now is 62.9 secs Computing kpt #: 97 total cpu time spent up to now is 63.5 secs Computing kpt #: 98 total cpu time spent up to now is 64.1 secs Computing kpt #: 99 total cpu time spent up to now is 64.6 secs Computing kpt #: 100 total cpu time spent up to now is 65.2 secs Computing kpt #: 101 total cpu time spent up to now is 65.8 secs Computing kpt #: 102 total cpu time spent up to now is 66.4 secs Computing kpt #: 103 total cpu time spent up to now is 66.9 secs Computing kpt #: 104 total cpu time spent up to now is 67.5 secs Computing kpt #: 105 total cpu time spent up to now is 68.1 secs Computing kpt #: 106 total cpu time spent up to now is 68.7 secs Computing kpt #: 107 total cpu time spent up to now is 69.2 secs Computing kpt #: 108 total cpu time spent up to now is 69.8 secs Computing kpt #: 109 total cpu time spent up to now is 70.4 secs Computing kpt #: 110 total cpu time spent up to now is 71.0 secs Computing kpt #: 111 total cpu time spent up to now is 71.6 secs Computing kpt #: 112 total cpu time spent up to now is 72.3 secs Computing kpt #: 113 total cpu time spent up to now is 73.0 secs Computing kpt #: 114 total cpu time spent up to now is 73.6 secs Computing kpt #: 115 total cpu time spent up to now is 74.2 secs Computing kpt #: 116 total cpu time spent up to now is 74.8 secs Computing kpt #: 117 total cpu time spent up to now is 75.5 secs Computing kpt #: 118 total cpu time spent up to now is 76.1 secs Computing kpt #: 119 total cpu time spent up to now is 76.8 secs Computing kpt #: 120 total cpu time spent up to now is 77.5 secs Computing kpt #: 121 total cpu time spent up to now is 78.1 secs Computing kpt #: 122 total cpu time spent up to now is 78.7 secs Computing kpt #: 123 total cpu time spent up to now is 79.4 secs Computing kpt #: 124 total cpu time spent up to now is 80.0 secs Computing kpt #: 125 total cpu time spent up to now is 80.6 secs Computing kpt #: 126 total cpu time spent up to now is 81.3 secs Computing kpt #: 127 total cpu time spent up to now is 81.9 secs Computing kpt #: 128 total cpu time spent up to now is 82.6 secs Computing kpt #: 129 total cpu time spent up to now is 83.3 secs Computing kpt #: 130 total cpu time spent up to now is 84.1 secs Computing kpt #: 131 total cpu time spent up to now is 84.7 secs Computing kpt #: 132 total cpu time spent up to now is 85.3 secs Computing kpt #: 133 total cpu time spent up to now is 85.9 secs Computing kpt #: 134 total cpu time spent up to now is 86.6 secs Computing kpt #: 135 total cpu time spent up to now is 87.2 secs Computing kpt #: 136 total cpu time spent up to now is 87.9 secs Computing kpt #: 137 total cpu time spent up to now is 88.5 secs Computing kpt #: 138 total cpu time spent up to now is 89.2 secs Computing kpt #: 139 total cpu time spent up to now is 89.8 secs Computing kpt #: 140 total cpu time spent up to now is 90.4 secs Computing kpt #: 141 total cpu time spent up to now is 91.1 secs Computing kpt #: 142 total cpu time spent up to now is 91.7 secs Computing kpt #: 143 total cpu time spent up to now is 92.3 secs Computing kpt #: 144 total cpu time spent up to now is 93.0 secs Computing kpt #: 145 total cpu time spent up to now is 93.7 secs Computing kpt #: 146 total cpu time spent up to now is 94.4 secs Computing kpt #: 147 total cpu time spent up to now is 95.1 secs Computing kpt #: 148 total cpu time spent up to now is 95.8 secs Computing kpt #: 149 total cpu time spent up to now is 96.4 secs Computing kpt #: 150 total cpu time spent up to now is 97.1 secs Computing kpt #: 151 total cpu time spent up to now is 97.7 secs Computing kpt #: 152 total cpu time spent up to now is 98.4 secs Computing kpt #: 153 total cpu time spent up to now is 99.0 secs Computing kpt #: 154 total cpu time spent up to now is 99.7 secs Computing kpt #: 155 total cpu time spent up to now is 100.3 secs Computing kpt #: 156 total cpu time spent up to now is 100.9 secs Computing kpt #: 157 total cpu time spent up to now is 101.5 secs Computing kpt #: 158 total cpu time spent up to now is 102.1 secs Computing kpt #: 159 total cpu time spent up to now is 102.8 secs Computing kpt #: 160 total cpu time spent up to now is 103.4 secs Computing kpt #: 161 total cpu time spent up to now is 104.1 secs Computing kpt #: 162 total cpu time spent up to now is 104.9 secs Computing kpt #: 163 total cpu time spent up to now is 105.6 secs Computing kpt #: 164 total cpu time spent up to now is 106.4 secs Computing kpt #: 165 total cpu time spent up to now is 107.1 secs Computing kpt #: 166 total cpu time spent up to now is 107.8 secs Computing kpt #: 167 total cpu time spent up to now is 108.6 secs Computing kpt #: 168 total cpu time spent up to now is 109.3 secs Computing kpt #: 169 total cpu time spent up to now is 110.0 secs Computing kpt #: 170 total cpu time spent up to now is 110.8 secs Computing kpt #: 171 total cpu time spent up to now is 111.5 secs Computing kpt #: 172 total cpu time spent up to now is 112.2 secs Computing kpt #: 173 total cpu time spent up to now is 112.9 secs Computing kpt #: 174 total cpu time spent up to now is 113.7 secs Computing kpt #: 175 total cpu time spent up to now is 114.4 secs Computing kpt #: 176 total cpu time spent up to now is 115.1 secs Computing kpt #: 177 total cpu time spent up to now is 115.8 secs Computing kpt #: 178 total cpu time spent up to now is 116.5 secs Computing kpt #: 179 total cpu time spent up to now is 117.2 secs Computing kpt #: 180 total cpu time spent up to now is 117.8 secs Computing kpt #: 181 total cpu time spent up to now is 118.4 secs Computing kpt #: 182 total cpu time spent up to now is 119.0 secs Computing kpt #: 183 total cpu time spent up to now is 119.7 secs Computing kpt #: 184 total cpu time spent up to now is 120.3 secs Computing kpt #: 185 total cpu time spent up to now is 120.9 secs Computing kpt #: 186 total cpu time spent up to now is 121.5 secs Computing kpt #: 187 total cpu time spent up to now is 122.2 secs Computing kpt #: 188 total cpu time spent up to now is 122.8 secs Computing kpt #: 189 total cpu time spent up to now is 123.4 secs Computing kpt #: 190 total cpu time spent up to now is 124.1 secs Computing kpt #: 191 total cpu time spent up to now is 124.7 secs Computing kpt #: 192 total cpu time spent up to now is 125.4 secs Computing kpt #: 193 total cpu time spent up to now is 126.0 secs Computing kpt #: 194 total cpu time spent up to now is 126.7 secs Computing kpt #: 195 total cpu time spent up to now is 127.3 secs Computing kpt #: 196 total cpu time spent up to now is 127.9 secs Computing kpt #: 197 total cpu time spent up to now is 128.6 secs Computing kpt #: 198 total cpu time spent up to now is 129.2 secs Computing kpt #: 199 total cpu time spent up to now is 129.8 secs Computing kpt #: 200 total cpu time spent up to now is 130.5 secs Computing kpt #: 201 total cpu time spent up to now is 131.1 secs Computing kpt #: 202 total cpu time spent up to now is 131.7 secs Computing kpt #: 203 total cpu time spent up to now is 132.4 secs Computing kpt #: 204 total cpu time spent up to now is 133.0 secs Computing kpt #: 205 total cpu time spent up to now is 133.6 secs Computing kpt #: 206 total cpu time spent up to now is 134.2 secs Computing kpt #: 207 total cpu time spent up to now is 134.8 secs Computing kpt #: 208 total cpu time spent up to now is 135.4 secs Computing kpt #: 209 total cpu time spent up to now is 136.0 secs Computing kpt #: 210 total cpu time spent up to now is 136.6 secs Computing kpt #: 211 total cpu time spent up to now is 137.2 secs Computing kpt #: 212 total cpu time spent up to now is 137.8 secs Computing kpt #: 213 total cpu time spent up to now is 138.4 secs Computing kpt #: 214 total cpu time spent up to now is 138.9 secs Computing kpt #: 215 total cpu time spent up to now is 139.5 secs Computing kpt #: 216 total cpu time spent up to now is 140.1 secs Computing kpt #: 217 total cpu time spent up to now is 140.7 secs Computing kpt #: 218 total cpu time spent up to now is 141.3 secs Computing kpt #: 219 total cpu time spent up to now is 141.8 secs Computing kpt #: 220 total cpu time spent up to now is 142.4 secs Computing kpt #: 221 total cpu time spent up to now is 143.0 secs Computing kpt #: 222 total cpu time spent up to now is 143.6 secs Computing kpt #: 223 total cpu time spent up to now is 144.2 secs Computing kpt #: 224 total cpu time spent up to now is 144.9 secs Computing kpt #: 225 total cpu time spent up to now is 145.5 secs Computing kpt #: 226 total cpu time spent up to now is 146.1 secs Computing kpt #: 227 total cpu time spent up to now is 146.7 secs Computing kpt #: 228 total cpu time spent up to now is 147.3 secs Computing kpt #: 229 total cpu time spent up to now is 148.0 secs Computing kpt #: 230 total cpu time spent up to now is 148.6 secs Computing kpt #: 231 total cpu time spent up to now is 149.2 secs Computing kpt #: 232 total cpu time spent up to now is 149.9 secs Computing kpt #: 233 total cpu time spent up to now is 150.5 secs Computing kpt #: 234 total cpu time spent up to now is 151.1 secs Computing kpt #: 235 total cpu time spent up to now is 151.7 secs Computing kpt #: 236 total cpu time spent up to now is 152.3 secs Computing kpt #: 237 total cpu time spent up to now is 153.0 secs Computing kpt #: 238 total cpu time spent up to now is 153.6 secs Computing kpt #: 239 total cpu time spent up to now is 154.2 secs Computing kpt #: 240 total cpu time spent up to now is 154.9 secs Computing kpt #: 241 total cpu time spent up to now is 155.5 secs Computing kpt #: 242 total cpu time spent up to now is 156.1 secs Computing kpt #: 243 total cpu time spent up to now is 156.7 secs Computing kpt #: 244 total cpu time spent up to now is 157.3 secs Computing kpt #: 245 total cpu time spent up to now is 158.0 secs Computing kpt #: 246 total cpu time spent up to now is 158.6 secs Computing kpt #: 247 total cpu time spent up to now is 159.2 secs Computing kpt #: 248 total cpu time spent up to now is 159.8 secs Computing kpt #: 249 total cpu time spent up to now is 160.5 secs Computing kpt #: 250 total cpu time spent up to now is 161.1 secs Computing kpt #: 251 total cpu time spent up to now is 161.7 secs Computing kpt #: 252 total cpu time spent up to now is 162.3 secs Computing kpt #: 253 total cpu time spent up to now is 162.9 secs Computing kpt #: 254 total cpu time spent up to now is 163.6 secs Computing kpt #: 255 total cpu time spent up to now is 164.2 secs Computing kpt #: 256 total cpu time spent up to now is 164.8 secs Computing kpt #: 257 total cpu time spent up to now is 165.4 secs Computing kpt #: 258 total cpu time spent up to now is 166.0 secs Computing kpt #: 259 total cpu time spent up to now is 166.6 secs Computing kpt #: 260 total cpu time spent up to now is 167.2 secs Computing kpt #: 261 total cpu time spent up to now is 167.9 secs Computing kpt #: 262 total cpu time spent up to now is 168.5 secs Computing kpt #: 263 total cpu time spent up to now is 169.1 secs Computing kpt #: 264 total cpu time spent up to now is 169.7 secs Computing kpt #: 265 total cpu time spent up to now is 170.4 secs Computing kpt #: 266 total cpu time spent up to now is 171.0 secs Computing kpt #: 267 total cpu time spent up to now is 171.6 secs Computing kpt #: 268 total cpu time spent up to now is 172.3 secs Computing kpt #: 269 total cpu time spent up to now is 172.9 secs Computing kpt #: 270 total cpu time spent up to now is 173.5 secs Computing kpt #: 271 total cpu time spent up to now is 174.1 secs Computing kpt #: 272 total cpu time spent up to now is 174.8 secs Computing kpt #: 273 total cpu time spent up to now is 175.4 secs Computing kpt #: 274 total cpu time spent up to now is 176.0 secs Computing kpt #: 275 total cpu time spent up to now is 176.7 secs Computing kpt #: 276 total cpu time spent up to now is 177.3 secs Computing kpt #: 277 total cpu time spent up to now is 178.0 secs Computing kpt #: 278 total cpu time spent up to now is 178.7 secs Computing kpt #: 279 total cpu time spent up to now is 179.5 secs Computing kpt #: 280 total cpu time spent up to now is 180.2 secs Computing kpt #: 281 total cpu time spent up to now is 180.9 secs Computing kpt #: 282 total cpu time spent up to now is 181.7 secs Computing kpt #: 283 total cpu time spent up to now is 182.4 secs Computing kpt #: 284 total cpu time spent up to now is 183.1 secs Computing kpt #: 285 total cpu time spent up to now is 183.9 secs Computing kpt #: 286 total cpu time spent up to now is 184.6 secs Computing kpt #: 287 total cpu time spent up to now is 185.2 secs Computing kpt #: 288 total cpu time spent up to now is 185.8 secs Computing kpt #: 289 total cpu time spent up to now is 186.4 secs Computing kpt #: 290 total cpu time spent up to now is 187.0 secs Computing kpt #: 291 total cpu time spent up to now is 187.7 secs Computing kpt #: 292 total cpu time spent up to now is 188.2 secs Computing kpt #: 293 total cpu time spent up to now is 188.8 secs Computing kpt #: 294 total cpu time spent up to now is 189.4 secs Computing kpt #: 295 total cpu time spent up to now is 190.0 secs Computing kpt #: 296 total cpu time spent up to now is 190.6 secs Computing kpt #: 297 total cpu time spent up to now is 191.2 secs Computing kpt #: 298 total cpu time spent up to now is 191.7 secs Computing kpt #: 299 total cpu time spent up to now is 192.3 secs Computing kpt #: 300 total cpu time spent up to now is 192.9 secs Computing kpt #: 301 total cpu time spent up to now is 193.4 secs Computing kpt #: 302 total cpu time spent up to now is 194.1 secs Computing kpt #: 303 total cpu time spent up to now is 194.7 secs Computing kpt #: 304 total cpu time spent up to now is 195.3 secs Computing kpt #: 305 total cpu time spent up to now is 195.9 secs Computing kpt #: 306 total cpu time spent up to now is 196.5 secs Computing kpt #: 307 total cpu time spent up to now is 197.1 secs Computing kpt #: 308 total cpu time spent up to now is 197.7 secs Computing kpt #: 309 total cpu time spent up to now is 198.3 secs Computing kpt #: 310 total cpu time spent up to now is 198.9 secs Computing kpt #: 311 total cpu time spent up to now is 199.6 secs Computing kpt #: 312 total cpu time spent up to now is 200.2 secs Computing kpt #: 313 total cpu time spent up to now is 200.8 secs Computing kpt #: 314 total cpu time spent up to now is 201.4 secs Computing kpt #: 315 total cpu time spent up to now is 202.0 secs Computing kpt #: 316 total cpu time spent up to now is 202.6 secs Computing kpt #: 317 total cpu time spent up to now is 203.2 secs Computing kpt #: 318 total cpu time spent up to now is 203.8 secs Computing kpt #: 319 total cpu time spent up to now is 204.4 secs Computing kpt #: 320 total cpu time spent up to now is 205.0 secs Computing kpt #: 321 total cpu time spent up to now is 205.7 secs Computing kpt #: 322 total cpu time spent up to now is 206.3 secs Computing kpt #: 323 total cpu time spent up to now is 206.9 secs Computing kpt #: 324 total cpu time spent up to now is 207.5 secs Computing kpt #: 325 total cpu time spent up to now is 208.1 secs Computing kpt #: 326 total cpu time spent up to now is 208.7 secs Computing kpt #: 327 total cpu time spent up to now is 209.4 secs Computing kpt #: 328 total cpu time spent up to now is 210.1 secs Computing kpt #: 329 total cpu time spent up to now is 210.7 secs Computing kpt #: 330 total cpu time spent up to now is 211.3 secs Computing kpt #: 331 total cpu time spent up to now is 211.9 secs Computing kpt #: 332 total cpu time spent up to now is 212.6 secs Computing kpt #: 333 total cpu time spent up to now is 213.2 secs Computing kpt #: 334 total cpu time spent up to now is 213.8 secs Computing kpt #: 335 total cpu time spent up to now is 214.5 secs Computing kpt #: 336 total cpu time spent up to now is 215.1 secs Computing kpt #: 337 total cpu time spent up to now is 215.7 secs Computing kpt #: 338 total cpu time spent up to now is 216.4 secs Computing kpt #: 339 total cpu time spent up to now is 217.0 secs Computing kpt #: 340 total cpu time spent up to now is 217.6 secs Computing kpt #: 341 total cpu time spent up to now is 218.2 secs Computing kpt #: 342 total cpu time spent up to now is 218.8 secs Computing kpt #: 343 total cpu time spent up to now is 219.5 secs Computing kpt #: 344 total cpu time spent up to now is 220.1 secs Computing kpt #: 345 total cpu time spent up to now is 220.7 secs Computing kpt #: 346 total cpu time spent up to now is 221.4 secs Computing kpt #: 347 total cpu time spent up to now is 222.1 secs Computing kpt #: 348 total cpu time spent up to now is 222.8 secs Computing kpt #: 349 total cpu time spent up to now is 223.5 secs Computing kpt #: 350 total cpu time spent up to now is 224.2 secs ethr = 2.50E-08, avg # of iterations = 18.5 total cpu time spent up to now is 224.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4251 PWs) bands (ev): -20.1576 -20.1576 -20.1185 -20.1185 -6.5284 -6.5284 -5.4782 -5.4782 -4.9479 -4.9479 -4.6944 -4.6944 -4.2309 -4.2309 -3.8950 -3.8950 -3.8360 -3.8360 -3.7373 -3.7373 1.4583 1.4583 1.8869 1.8869 3.4487 3.4487 4.5139 4.5139 4.5229 4.5229 4.6852 4.6852 5.3482 5.3482 5.3695 5.3695 6.1531 6.1531 6.9491 6.9491 8.9881 8.9881 9.2650 9.2650 9.4094 9.4094 10.5338 10.5338 k =-0.0059 0.0071 0.0186 ( 4259 PWs) bands (ev): -20.1575 -20.1575 -20.1185 -20.1185 -6.5275 -6.5275 -5.4781 -5.4781 -4.9478 -4.9478 -4.6946 -4.6946 -4.2306 -4.2306 -3.8951 -3.8951 -3.8368 -3.8368 -3.7380 -3.7380 1.4597 1.4597 1.8876 1.8876 3.4491 3.4491 4.4807 4.4807 4.5465 4.5465 4.6857 4.6857 5.3064 5.3064 5.4151 5.4151 6.1531 6.1531 6.9478 6.9478 8.9931 8.9931 9.2676 9.2676 9.4001 9.4001 10.5357 10.5357 k =-0.0119 0.0141 0.0372 ( 4253 PWs) bands (ev): -20.1573 -20.1573 -20.1182 -20.1182 -6.5248 -6.5248 -5.4780 -5.4780 -4.9477 -4.9477 -4.6954 -4.6954 -4.2298 -4.2298 -3.8953 -3.8953 -3.8393 -3.8393 -3.7403 -3.7403 1.4638 1.4638 1.8898 1.8898 3.4503 3.4503 4.4385 4.4385 4.5555 4.5555 4.6911 4.6911 5.2631 5.2631 5.4708 5.4708 6.1530 6.1530 6.9441 6.9441 9.0079 9.0079 9.2750 9.2750 9.3735 9.3735 10.5415 10.5415 k =-0.0178 0.0212 0.0557 ( 4253 PWs) bands (ev): -20.1568 -20.1568 -20.1179 -20.1179 -6.5203 -6.5203 -5.4777 -5.4777 -4.9475 -4.9475 -4.6966 -4.6966 -4.2285 -4.2285 -3.8957 -3.8957 -3.8434 -3.8434 -3.7441 -3.7441 1.4707 1.4707 1.8934 1.8934 3.4522 3.4522 4.3933 4.3933 4.5380 4.5380 4.7063 4.7063 5.2306 5.2306 5.5254 5.5254 6.1527 6.1527 6.9379 6.9379 9.0323 9.0323 9.2844 9.2844 9.3345 9.3345 10.5512 10.5512 k =-0.0237 0.0283 0.0743 ( 4253 PWs) bands (ev): -20.1563 -20.1563 -20.1174 -20.1174 -6.5140 -6.5140 -5.4774 -5.4774 -4.9472 -4.9472 -4.6984 -4.6984 -4.2267 -4.2267 -3.8963 -3.8963 -3.8490 -3.8490 -3.7494 -3.7494 1.4803 1.4803 1.8986 1.8986 3.4547 3.4547 4.3460 4.3460 4.4958 4.4958 4.7280 4.7280 5.2115 5.2115 5.5771 5.5771 6.1519 6.1519 6.9293 6.9293 9.0650 9.0650 9.2628 9.2628 9.3194 9.3194 10.5646 10.5646 k =-0.0297 0.0353 0.0929 ( 4245 PWs) bands (ev): -20.1555 -20.1555 -20.1168 -20.1168 -6.5059 -6.5059 -5.4770 -5.4770 -4.9469 -4.9469 -4.7007 -4.7007 -4.2244 -4.2244 -3.8971 -3.8971 -3.8560 -3.8560 -3.7560 -3.7560 1.4926 1.4926 1.9052 1.9052 3.4578 3.4578 4.2967 4.2967 4.4354 4.4354 4.7509 4.7509 5.2066 5.2066 5.6248 5.6248 6.1502 6.1502 6.9182 6.9182 9.1027 9.1027 9.2050 9.2050 9.3397 9.3397 10.5816 10.5816 k =-0.0356 0.0424 0.1115 ( 4251 PWs) bands (ev): -20.1546 -20.1546 -20.1161 -20.1161 -6.4962 -6.4962 -5.4765 -5.4765 -4.9465 -4.9465 -4.7034 -4.7034 -4.2216 -4.2216 -3.8983 -3.8983 -3.8643 -3.8643 -3.7640 -3.7640 1.5075 1.5075 1.9134 1.9134 3.4611 3.4611 4.2439 4.2439 4.3634 4.3634 4.7722 4.7722 5.2149 5.2149 5.6677 5.6677 6.1475 6.1475 6.9047 6.9047 9.1058 9.1058 9.1796 9.1796 9.3684 9.3684 10.6022 10.6022 k =-0.0415 0.0495 0.1300 ( 4261 PWs) bands (ev): -20.1535 -20.1535 -20.1152 -20.1152 -6.4847 -6.4847 -5.4759 -5.4759 -4.9462 -4.9462 -4.7067 -4.7067 -4.2183 -4.2183 -3.9002 -3.9002 -3.8734 -3.8734 -3.7732 -3.7732 1.5250 1.5250 1.9231 1.9231 3.4645 3.4645 4.1839 4.1839 4.2878 4.2878 4.7909 4.7909 5.2341 5.2341 5.7056 5.7056 6.1430 6.1430 6.8888 6.8888 9.0393 9.0393 9.2267 9.2267 9.4025 9.4025 10.6262 10.6262 k =-0.0475 0.0566 0.1486 ( 4271 PWs) bands (ev): -20.1522 -20.1522 -20.1142 -20.1142 -6.4717 -6.4717 -5.4753 -5.4753 -4.9458 -4.9458 -4.7104 -4.7104 -4.2146 -4.2146 -3.9036 -3.9036 -3.8824 -3.8824 -3.7834 -3.7834 1.5450 1.5450 1.9345 1.9345 3.4674 3.4674 4.1097 4.1097 4.2192 4.2192 4.8074 4.8074 5.2617 5.2617 5.7381 5.7381 6.1365 6.1365 6.8706 6.8706 8.9632 8.9632 9.2886 9.2886 9.4414 9.4414 10.6534 10.6534 k =-0.0534 0.0636 0.1672 ( 4275 PWs) bands (ev): -20.1509 -20.1509 -20.1131 -20.1131 -6.4570 -6.4570 -5.4746 -5.4746 -4.9454 -4.9454 -4.7147 -4.7147 -4.2103 -4.2103 -3.9101 -3.9101 -3.8896 -3.8896 -3.7946 -3.7946 1.5674 1.5674 1.9476 1.9476 3.4691 3.4691 4.0198 4.0198 4.1624 4.1624 4.8219 4.8219 5.2955 5.2955 5.7652 5.7652 6.1273 6.1273 6.8501 6.8501 8.8875 8.8875 9.3569 9.3569 9.4845 9.4845 10.6836 10.6836 k =-0.0594 0.0707 0.1858 ( 4271 PWs) bands (ev): -20.1493 -20.1493 -20.1119 -20.1119 -6.4409 -6.4409 -5.4740 -5.4740 -4.9452 -4.9452 -4.7194 -4.7194 -4.2057 -4.2057 -3.9206 -3.9206 -3.8940 -3.8940 -3.8066 -3.8066 1.5922 1.5922 1.9624 1.9624 3.4681 3.4681 3.9209 3.9209 4.1142 4.1142 4.8349 4.8349 5.3332 5.3332 5.7870 5.7870 6.1151 6.1151 6.8275 6.8275 8.8152 8.8152 9.4293 9.4293 9.5319 9.5319 10.7167 10.7167 k =-0.0653 0.0778 0.2043 ( 4271 PWs) bands (ev): -20.1477 -20.1477 -20.1106 -20.1106 -6.4233 -6.4233 -5.4732 -5.4732 -4.9450 -4.9450 -4.7246 -4.7246 -4.2006 -4.2006 -3.9339 -3.9339 -3.8968 -3.8968 -3.8192 -3.8192 1.6192 1.6192 1.9790 1.9790 3.4617 3.4617 3.8205 3.8205 4.0714 4.0714 4.8469 4.8469 5.3730 5.3730 5.8037 5.8037 6.0996 6.0996 6.8026 6.8026 8.7485 8.7485 9.5037 9.5037 9.5839 9.5839 10.7525 10.7525 k =-0.0712 0.0848 0.2229 ( 4277 PWs) bands (ev): -20.1459 -20.1459 -20.1092 -20.1092 -6.4044 -6.4044 -5.4725 -5.4725 -4.9449 -4.9449 -4.7302 -4.7302 -4.1952 -4.1952 -3.9486 -3.9486 -3.8992 -3.8992 -3.8321 -3.8321 1.6483 1.6483 1.9973 1.9973 3.4441 3.4441 3.7269 3.7269 4.0329 4.0329 4.8581 4.8581 5.4129 5.4129 5.8155 5.8155 6.0808 6.0808 6.7757 6.7757 8.6890 8.6890 9.5769 9.5769 9.6422 9.6422 10.7908 10.7908 k =-0.0772 0.0919 0.2415 ( 4277 PWs) bands (ev): -20.1440 -20.1440 -20.1077 -20.1077 -6.3842 -6.3842 -5.4718 -5.4718 -4.9450 -4.9450 -4.7363 -4.7363 -4.1893 -4.1893 -3.9644 -3.9644 -3.9018 -3.9018 -3.8449 -3.8449 1.6794 1.6794 2.0172 2.0172 3.4048 3.4048 3.6517 3.6517 3.9985 3.9985 4.8689 4.8689 5.4507 5.4507 5.8232 5.8232 6.0590 6.0590 6.7467 6.7467 8.6380 8.6380 9.6441 9.6441 9.7099 9.7099 10.8313 10.8313 k =-0.0831 0.0990 0.2601 ( 4273 PWs) bands (ev): -20.1421 -20.1421 -20.1062 -20.1062 -6.3629 -6.3629 -5.4712 -5.4712 -4.9453 -4.9453 -4.7428 -4.7428 -4.1832 -4.1832 -3.9808 -3.9808 -3.9052 -3.9052 -3.8572 -3.8572 1.7124 1.7124 2.0388 2.0388 3.3360 3.3360 3.6037 3.6037 3.9688 3.9688 4.8792 4.8792 5.4837 5.4837 5.8277 5.8277 6.0352 6.0352 6.7159 6.7159 8.5963 8.5963 9.7037 9.7037 9.7869 9.7869 10.8738 10.8738 k =-0.0890 0.1060 0.2787 ( 4277 PWs) bands (ev): -20.1400 -20.1400 -20.1045 -20.1045 -6.3406 -6.3406 -5.4705 -5.4705 -4.9458 -4.9458 -4.7497 -4.7497 -4.1767 -4.1767 -3.9976 -3.9976 -3.9101 -3.9101 -3.8680 -3.8680 1.7472 1.7472 2.0616 2.0616 3.2445 3.2445 3.5761 3.5761 3.9442 3.9442 4.8892 4.8892 5.5078 5.5078 5.8306 5.8306 6.0113 6.0113 6.6833 6.6833 8.5646 8.5646 9.7579 9.7579 9.8696 9.8696 10.9182 10.9182 k =-0.0950 0.1131 0.2972 ( 4283 PWs) bands (ev): -20.1378 -20.1378 -20.1028 -20.1028 -6.3173 -6.3173 -5.4700 -5.4700 -4.9466 -4.9466 -4.7568 -4.7568 -4.1700 -4.1700 -4.0146 -4.0146 -3.9174 -3.9174 -3.8764 -3.8764 1.7835 1.7835 2.0854 2.0854 3.1426 3.1426 3.5575 3.5575 3.9256 3.9256 4.8989 4.8989 5.5184 5.5184 5.8330 5.8330 5.9904 5.9904 6.6490 6.6490 8.5432 8.5432 9.8078 9.8078 9.9549 9.9549 10.9639 10.9639 k =-0.1009 0.1202 0.3158 ( 4283 PWs) bands (ev): -20.1356 -20.1356 -20.1011 -20.1011 -6.2933 -6.2933 -5.4695 -5.4695 -4.9477 -4.9477 -4.7643 -4.7643 -4.1630 -4.1630 -4.0316 -4.0316 -3.9273 -3.9273 -3.8822 -3.8822 1.8214 1.8214 2.1093 2.1093 3.0382 3.0382 3.5408 3.5408 3.9132 3.9132 4.9083 4.9083 5.5114 5.5114 5.8336 5.8336 5.9781 5.9781 6.6132 6.6132 8.5318 8.5318 9.8534 9.8534 10.0414 10.0414 11.0108 11.0108 k =-0.1068 0.1273 0.3344 ( 4283 PWs) bands (ev): -20.1333 -20.1333 -20.0993 -20.0993 -6.2686 -6.2686 -5.4691 -5.4691 -4.9491 -4.9491 -4.7720 -4.7720 -4.1559 -4.1559 -4.0484 -4.0484 -3.9390 -3.9390 -3.8858 -3.8858 1.8606 1.8606 2.1321 2.1321 2.9361 2.9361 3.5230 3.5230 3.9073 3.9073 4.9175 4.9175 5.4854 5.4854 5.8274 5.8274 5.9808 5.9808 6.5762 6.5762 8.5303 8.5303 9.8939 9.8939 10.1282 10.1282 11.0580 11.0580 k =-0.1128 0.1343 0.3530 ( 4269 PWs) bands (ev): -20.1309 -20.1309 -20.0976 -20.0976 -6.2434 -6.2434 -5.4689 -5.4689 -4.9509 -4.9509 -4.7798 -4.7798 -4.1488 -4.1488 -4.0648 -4.0648 -3.9519 -3.9519 -3.8880 -3.8880 1.9010 1.9010 2.1515 2.1515 2.8405 2.8405 3.5031 3.5031 3.9075 3.9075 4.9263 4.9263 5.4423 5.4423 5.8110 5.8110 6.0005 6.0005 6.5381 6.5381 8.5379 8.5379 9.9281 9.9281 10.2145 10.2145 11.1039 11.1039 k =-0.1187 0.1414 0.3715 ( 4265 PWs) bands (ev): -20.1285 -20.1285 -20.0958 -20.0958 -6.2178 -6.2178 -5.4688 -5.4688 -4.9531 -4.9531 -4.7877 -4.7877 -4.1420 -4.1420 -4.0804 -4.0804 -3.9650 -3.9650 -3.8893 -3.8893 1.9423 1.9423 2.1637 2.1637 2.7564 2.7564 3.4810 3.4810 3.9132 3.9132 4.9347 4.9347 5.3853 5.3853 5.7861 5.7861 6.0324 6.0324 6.4994 6.4994 8.5539 8.5539 9.9550 9.9550 10.2999 10.2999 11.1435 11.1435 k =-0.1246 0.1485 0.3901 ( 4275 PWs) bands (ev): -20.1261 -20.1261 -20.0939 -20.0939 -6.1921 -6.1921 -5.4689 -5.4689 -4.9557 -4.9557 -4.7956 -4.7956 -4.1360 -4.1360 -4.0943 -4.0943 -3.9782 -3.9782 -3.8901 -3.8901 1.9839 1.9839 2.1636 2.1636 2.6903 2.6903 3.4571 3.4571 3.9235 3.9235 4.9425 4.9425 5.3175 5.3175 5.7553 5.7553 6.0708 6.0708 6.4610 6.4610 8.5775 8.5775 9.9735 9.9735 10.3840 10.3840 11.1548 11.1548 k =-0.1306 0.1555 0.4087 ( 4271 PWs) bands (ev): -20.1237 -20.1237 -20.0921 -20.0921 -6.1664 -6.1664 -5.4691 -5.4691 -4.9587 -4.9587 -4.8034 -4.8034 -4.1334 -4.1334 -4.1042 -4.1042 -3.9910 -3.9910 -3.8906 -3.8906 2.0236 2.0236 2.1471 2.1471 2.6490 2.6490 3.4319 3.4319 3.9377 3.9377 4.9496 4.9496 5.2419 5.2419 5.7203 5.7203 6.1109 6.1109 6.4243 6.4243 8.6077 8.6077 9.9828 9.9828 10.4660 10.4660 11.0973 11.0973 k =-0.1365 0.1626 0.4273 ( 4267 PWs) bands (ev): -20.1213 -20.1213 -20.0904 -20.0904 -6.1409 -6.1409 -5.4695 -5.4695 -4.9621 -4.9621 -4.8110 -4.8110 -4.1383 -4.1383 -4.1059 -4.1059 -4.0033 -4.0033 -3.8907 -3.8907 2.0473 2.0473 2.1260 2.1260 2.6353 2.6353 3.4060 3.4060 3.9551 3.9551 4.9554 4.9554 5.1611 5.1611 5.6815 5.6816 6.1473 6.1473 6.3929 6.3929 8.6436 8.6436 9.9824 9.9824 10.5447 10.5447 11.0036 11.0036 k =-0.1424 0.1697 0.4458 ( 4263 PWs) bands (ev): -20.1188 -20.1188 -20.0886 -20.0886 -6.1157 -6.1157 -5.4701 -5.4701 -4.9659 -4.9659 -4.8183 -4.8183 -4.1485 -4.1485 -4.1014 -4.1014 -4.0149 -4.0149 -3.8907 -3.8907 2.0146 2.0146 2.1444 2.1444 2.6455 2.6455 3.3799 3.3799 3.9749 3.9749 4.9574 4.9574 5.0791 5.0791 5.6395 5.6395 6.1714 6.1714 6.3741 6.3741 8.6842 8.6842 9.9721 9.9721 10.6165 10.6165 10.9092 10.9092 k =-0.1484 0.1767 0.4644 ( 4267 PWs) bands (ev): -20.1164 -20.1164 -20.0869 -20.0869 -6.0911 -6.0911 -5.4710 -5.4710 -4.9700 -4.9700 -4.8253 -4.8253 -4.1599 -4.1599 -4.0951 -4.0951 -4.0255 -4.0255 -3.8904 -3.8904 1.9481 1.9481 2.1868 2.1868 2.6729 2.6729 3.3539 3.3539 3.9965 3.9965 4.9404 4.9404 5.0124 5.0124 5.5944 5.5944 6.1724 6.1724 6.3781 6.3781 8.7287 8.7287 9.9522 9.9522 10.6654 10.6654 10.8376 10.8376 k =-0.1543 0.1838 0.4830 ( 4267 PWs) bands (ev): -20.1141 -20.1141 -20.0853 -20.0853 -6.0671 -6.0671 -5.4721 -5.4721 -4.9745 -4.9745 -4.8319 -4.8319 -4.1712 -4.1712 -4.0887 -4.0887 -4.0346 -4.0346 -3.8900 -3.8900 1.8718 1.8718 2.2350 2.2350 2.7120 2.7120 3.3284 3.3284 4.0195 4.0195 4.8724 4.8724 4.9941 4.9941 5.5465 5.5465 6.1498 6.1498 6.4048 6.4048 8.7760 8.7760 9.9233 9.9233 10.6432 10.6432 10.8393 10.8393 k =-0.1603 0.1909 0.5016 ( 4263 PWs) bands (ev): -20.1118 -20.1118 -20.0837 -20.0837 -6.0441 -6.0441 -5.4735 -5.4735 -4.9793 -4.9793 -4.8379 -4.8379 -4.1817 -4.1817 -4.0833 -4.0833 -4.0415 -4.0415 -3.8896 -3.8896 1.7926 1.7926 2.2859 2.2859 2.7588 2.7588 3.3036 3.3036 4.0431 4.0431 4.7845 4.7845 4.9941 4.9941 5.4964 5.4964 6.1131 6.1131 6.4444 6.4444 8.8253 8.8253 9.8862 9.8862 10.5700 10.5700 10.8947 10.8947 k =-0.1662 0.1979 0.5202 ( 4265 PWs) bands (ev): -20.1095 -20.1095 -20.0821 -20.0821 -6.0222 -6.0222 -5.4751 -5.4751 -4.9843 -4.9843 -4.8434 -4.8434 -4.1913 -4.1913 -4.0808 -4.0808 -4.0446 -4.0446 -3.8890 -3.8890 1.7137 1.7137 2.3388 2.3388 2.8109 2.8109 3.2798 3.2798 4.0665 4.0665 4.6934 4.6934 4.9965 4.9965 5.4445 5.4445 6.0693 6.0693 6.4896 6.4896 8.8757 8.8757 9.8422 9.8422 10.4888 10.4888 10.9612 10.9612 k =-0.1721 0.2050 0.5387 ( 4269 PWs) bands (ev): -20.1073 -20.1073 -20.0807 -20.0807 -6.0016 -6.0016 -5.4770 -5.4770 -4.9894 -4.9894 -4.8483 -4.8483 -4.2000 -4.2000 -4.0821 -4.0821 -4.0429 -4.0429 -3.8883 -3.8883 1.6369 1.6369 2.3936 2.3936 2.8665 2.8665 3.2573 3.2573 4.0885 4.0885 4.6032 4.6032 4.9984 4.9984 5.3917 5.3917 6.0216 6.0216 6.5369 6.5369 8.9265 8.9265 9.7925 9.7925 10.4095 10.4095 11.0292 11.0292 k =-0.1781 0.2121 0.5573 ( 4267 PWs) bands (ev): -20.1052 -20.1052 -20.0794 -20.0794 -5.9823 -5.9823 -5.4792 -5.4792 -4.9946 -4.9946 -4.8526 -4.8526 -4.2076 -4.2076 -4.0862 -4.0862 -4.0375 -4.0375 -3.8875 -3.8875 1.5634 1.5634 2.4502 2.4502 2.9244 2.9244 3.2364 3.2364 4.1069 4.1069 4.5169 4.5169 4.9984 4.9984 5.3393 5.3393 5.9717 5.9717 6.5843 6.5843 8.9766 8.9766 9.7383 9.7383 10.3346 10.3346 11.0964 11.0964 k =-0.1840 0.2192 0.5759 ( 4265 PWs) bands (ev): -20.1032 -20.1032 -20.0781 -20.0781 -5.9646 -5.9646 -5.4817 -5.4817 -4.9997 -4.9997 -4.8563 -4.8563 -4.2143 -4.2143 -4.0912 -4.0912 -4.0301 -4.0301 -3.8867 -3.8867 1.4940 1.4940 2.5083 2.5083 2.9831 2.9831 3.2176 3.2176 4.1171 4.1171 4.4393 4.4393 4.9950 4.9950 5.2892 5.2892 5.9204 5.9204 6.6309 6.6309 9.0255 9.0255 9.6811 9.6811 10.2650 10.2650 11.1619 11.1619 k =-0.1899 0.2262 0.5945 ( 4265 PWs) bands (ev): -20.1013 -20.1013 -20.0770 -20.0770 -5.9486 -5.9486 -5.4844 -5.4844 -5.0048 -5.0048 -4.8593 -4.8593 -4.2200 -4.2200 -4.0964 -4.0964 -4.0218 -4.0218 -3.8859 -3.8859 1.4294 1.4294 2.5679 2.5679 3.0407 3.0407 3.2023 3.2023 4.1105 4.1105 4.3794 4.3794 4.9859 4.9859 5.2443 5.2443 5.8683 5.8683 6.6758 6.6758 9.0723 9.0723 9.6221 9.6221 10.2009 10.2009 11.2254 11.2254 k =-0.1959 0.2333 0.6130 ( 4265 PWs) bands (ev): -20.0995 -20.0995 -20.0760 -20.0760 -5.9343 -5.9343 -5.4875 -5.4875 -5.0095 -5.0095 -4.8618 -4.8618 -4.2247 -4.2247 -4.1011 -4.1011 -4.0130 -4.0130 -3.8851 -3.8851 1.3699 1.3699 2.6288 2.6288 3.0922 3.0922 3.1948 3.1948 4.0770 4.0770 4.3472 4.3472 4.9681 4.9681 5.2083 5.2083 5.8157 5.8157 6.7184 6.7184 9.1164 9.1164 9.5625 9.5625 10.1427 10.1427 11.2866 11.2866 k =-0.2018 0.2404 0.6316 ( 4273 PWs) bands (ev): -20.0978 -20.0978 -20.0751 -20.0751 -5.9219 -5.9219 -5.4909 -5.4909 -5.0140 -5.0140 -4.8638 -4.8638 -4.2284 -4.2284 -4.1053 -4.1053 -4.0039 -4.0039 -3.8842 -3.8842 1.3161 1.3161 2.6905 2.6905 3.1233 3.1233 3.2087 3.2087 4.0179 4.0179 4.3414 4.3414 4.9396 4.9396 5.1842 5.1842 5.7631 5.7631 6.7580 6.7580 9.1569 9.1569 9.5038 9.5038 10.0903 10.0903 11.3454 11.3454 k =-0.2077 0.2474 0.6502 ( 4269 PWs) bands (ev): -20.0963 -20.0963 -20.0744 -20.0744 -5.9114 -5.9114 -5.4946 -5.4946 -5.0181 -5.0181 -4.8652 -4.8652 -4.2313 -4.2313 -4.1088 -4.1088 -3.9945 -3.9945 -3.8833 -3.8833 1.2682 1.2682 2.7525 2.7525 3.1280 3.1280 3.2496 3.2496 3.9445 3.9445 4.3507 4.3507 4.9017 4.9017 5.1721 5.1721 5.7107 5.7107 6.7940 6.7940 9.1933 9.1933 9.4470 9.4470 10.0438 10.0438 11.4018 11.4018 k =-0.2137 0.2545 0.6688 ( 4277 PWs) bands (ev): -20.0948 -20.0948 -20.0737 -20.0737 -5.9029 -5.9029 -5.4986 -5.4986 -5.0216 -5.0216 -4.8662 -4.8662 -4.2333 -4.2333 -4.1115 -4.1115 -3.9851 -3.9851 -3.8825 -3.8825 1.2265 1.2265 2.8133 2.8133 3.1247 3.1247 3.2988 3.2988 3.8655 3.8655 4.3667 4.3667 4.8582 4.8582 5.1696 5.1696 5.6589 5.6589 6.8256 6.8256 9.2250 9.2250 9.3935 9.3935 10.0031 10.0031 11.4557 11.4557 k =-0.2196 0.2616 0.6874 ( 4283 PWs) bands (ev): -20.0936 -20.0936 -20.0733 -20.0733 -5.8964 -5.8964 -5.5030 -5.5030 -5.0246 -5.0246 -4.8669 -4.8669 -4.2344 -4.2344 -4.1136 -4.1136 -3.9755 -3.9755 -3.8816 -3.8816 1.1912 1.1912 2.8708 2.8708 3.1234 3.1234 3.3467 3.3467 3.7855 3.7855 4.3846 4.3846 4.8134 4.8134 5.1740 5.1740 5.6081 5.6081 6.8524 6.8524 9.2515 9.2515 9.3442 9.3442 9.9680 9.9680 11.5068 11.5068 k =-0.2255 0.2686 0.7059 ( 4281 PWs) bands (ev): -20.0924 -20.0924 -20.0729 -20.0729 -5.8919 -5.8919 -5.5076 -5.5076 -5.0268 -5.0268 -4.8672 -4.8672 -4.2348 -4.2348 -4.1149 -4.1149 -3.9659 -3.9659 -3.8808 -3.8808 1.1626 1.1626 2.9205 2.9205 3.1298 3.1298 3.3892 3.3892 3.7076 3.7076 4.4019 4.4019 4.7714 4.7714 5.1836 5.1836 5.5587 5.5587 6.8734 6.8734 9.2722 9.2722 9.3005 9.3005 9.9384 9.9384 11.5528 11.5528 k =-0.2315 0.2757 0.7245 ( 4277 PWs) bands (ev): -20.0914 -20.0914 -20.0728 -20.0728 -5.8896 -5.8896 -5.5126 -5.5126 -5.0283 -5.0283 -4.8671 -4.8671 -4.2345 -4.2345 -4.1154 -4.1154 -3.9564 -3.9564 -3.8800 -3.8800 1.1407 1.1407 2.9563 2.9563 3.1488 3.1488 3.4233 3.4233 3.6351 3.6351 4.4170 4.4170 4.7355 4.7355 5.1974 5.1974 5.5109 5.5109 6.8883 6.8883 9.2630 9.2630 9.2872 9.2872 9.9142 9.9142 11.5386 11.5386 k =-0.2374 0.2828 0.7431 ( 4273 PWs) bands (ev): -20.0906 -20.0906 -20.0728 -20.0728 -5.8893 -5.8893 -5.5178 -5.5178 -5.0291 -5.0291 -4.8668 -4.8668 -4.2335 -4.2335 -4.1153 -4.1153 -3.9469 -3.9469 -3.8792 -3.8792 1.1258 1.1258 2.9750 2.9750 3.1804 3.1804 3.4443 3.4443 3.5745 3.5745 4.4286 4.4286 4.7086 4.7086 5.2146 5.2146 5.4655 5.4655 6.8964 6.8964 9.2331 9.2331 9.2955 9.2955 9.8951 9.8951 11.4853 11.4853 k =-0.2433 0.2899 0.7617 ( 4265 PWs) bands (ev): -20.0900 -20.0900 -20.0729 -20.0729 -5.8911 -5.8911 -5.5234 -5.5234 -5.0289 -5.0289 -4.8661 -4.8661 -4.2318 -4.2318 -4.1144 -4.1144 -3.9375 -3.9375 -3.8784 -3.8784 1.1179 1.1179 2.9802 2.9802 3.2131 3.2131 3.4453 3.4453 3.5393 3.5393 4.4362 4.4362 4.6930 4.6930 5.2345 5.2345 5.4233 5.4233 6.8973 6.8973 9.2112 9.2112 9.2975 9.2975 9.8809 9.8809 11.4329 11.4329 k =-0.2493 0.2969 0.7802 ( 4265 PWs) bands (ev): -20.0894 -20.0894 -20.0732 -20.0732 -5.8950 -5.8950 -5.5292 -5.5292 -5.0279 -5.0279 -4.8651 -4.8651 -4.2295 -4.2295 -4.1128 -4.1128 -3.9283 -3.9283 -3.8776 -3.8776 1.1170 1.1170 2.9765 2.9765 3.2268 3.2268 3.4335 3.4335 3.5365 3.5365 4.4397 4.4397 4.6897 4.6897 5.2556 5.2556 5.3858 5.3858 6.8908 6.8908 9.1978 9.1978 9.2930 9.2930 9.8716 9.8716 11.3831 11.3831 k =-0.2552 0.3040 0.7988 ( 4257 PWs) bands (ev): -20.0891 -20.0891 -20.0736 -20.0736 -5.9010 -5.9010 -5.5353 -5.5353 -5.0259 -5.0259 -4.8637 -4.8637 -4.2266 -4.2266 -4.1106 -4.1106 -3.9193 -3.9193 -3.8769 -3.8769 1.1231 1.1231 2.9660 2.9660 3.2096 3.2096 3.4252 3.4252 3.5592 3.5592 4.4396 4.4396 4.6983 4.6983 5.2726 5.2726 5.3588 5.3588 6.8768 6.8768 9.1931 9.1931 9.2821 9.2821 9.8671 9.8671 11.3363 11.3363 k =-0.2611 0.3111 0.8174 ( 4265 PWs) bands (ev): -20.0889 -20.0889 -20.0742 -20.0742 -5.9091 -5.9091 -5.5417 -5.5417 -5.0229 -5.0229 -4.8619 -4.8619 -4.2230 -4.2230 -4.1077 -4.1077 -3.9106 -3.9106 -3.8761 -3.8761 1.1362 1.1362 2.9483 2.9483 3.1740 3.1740 3.4093 3.4093 3.6069 3.6069 4.4366 4.4366 4.7177 4.7177 5.2711 5.2711 5.3566 5.3566 6.8554 6.8554 9.1967 9.1967 9.2654 9.2654 9.8671 9.8671 11.2929 11.2929 k =-0.2671 0.3181 0.8360 ( 4265 PWs) bands (ev): -20.0889 -20.0889 -20.0750 -20.0750 -5.9193 -5.9193 -5.5483 -5.5483 -5.0190 -5.0190 -4.8595 -4.8595 -4.2189 -4.2189 -4.1043 -4.1043 -3.9023 -3.9023 -3.8753 -3.8753 1.1563 1.1563 2.9213 2.9213 3.1369 3.1369 3.3796 3.3796 3.6723 3.6723 4.4310 4.4310 4.7463 4.7463 5.2505 5.2505 5.3800 5.3800 6.8270 6.8270 9.2058 9.2058 9.2459 9.2459 9.8717 9.8717 11.2532 11.2532 k =-0.2730 0.3252 0.8545 ( 4261 PWs) bands (ev): -20.0890 -20.0890 -20.0759 -20.0759 -5.9316 -5.9316 -5.5552 -5.5552 -5.0141 -5.0141 -4.8566 -4.8566 -4.2142 -4.2142 -4.1002 -4.1002 -3.8946 -3.8946 -3.8743 -3.8743 1.1833 1.1833 2.8836 2.8836 3.1065 3.1065 3.3388 3.3388 3.7473 3.7473 4.4227 4.4227 4.7827 4.7827 5.2252 5.2252 5.4142 5.4142 6.7920 6.7920 9.1989 9.1989 9.2448 9.2448 9.8810 9.8810 11.2173 11.2173 k =-0.2790 0.3323 0.8731 ( 4265 PWs) bands (ev): -20.0893 -20.0893 -20.0770 -20.0770 -5.9459 -5.9459 -5.5623 -5.5623 -5.0082 -5.0082 -4.8531 -4.8531 -4.2089 -4.2089 -4.0956 -4.0956 -3.8876 -3.8876 -3.8729 -3.8729 1.2170 1.2170 2.8361 2.8361 3.0842 3.0842 3.2906 3.2906 3.8269 3.8269 4.4123 4.4123 4.8253 4.8253 5.2008 5.2008 5.4536 5.4536 6.7512 6.7512 9.1672 9.1672 9.2709 9.2709 9.8948 9.8948 11.1853 11.1853 k =-0.2849 0.3393 0.8917 ( 4269 PWs) bands (ev): -20.0898 -20.0898 -20.0782 -20.0782 -5.9622 -5.9622 -5.5696 -5.5696 -5.0012 -5.0012 -4.8489 -4.8489 -4.2030 -4.2030 -4.0905 -4.0905 -3.8821 -3.8821 -3.8705 -3.8705 1.2572 1.2572 2.7819 2.7819 3.0669 3.0669 3.2390 3.2390 3.9080 3.9080 4.4007 4.4007 4.8725 4.8725 5.1786 5.1786 5.4966 5.4966 6.7052 6.7052 9.1269 9.1269 9.3079 9.3079 9.9133 9.9133 11.1573 11.1573 k =-0.2849 0.3393 0.8917 ( 4269 PWs) bands (ev): -20.0898 -20.0898 -20.0782 -20.0782 -5.9622 -5.9622 -5.5696 -5.5696 -5.0012 -5.0012 -4.8489 -4.8489 -4.2030 -4.2030 -4.0905 -4.0905 -3.8821 -3.8821 -3.8705 -3.8705 1.2572 1.2572 2.7819 2.7819 3.0669 3.0669 3.2390 3.2390 3.9080 3.9080 4.4007 4.4007 4.8725 4.8725 5.1786 5.1786 5.4966 5.4966 6.7052 6.7052 9.1269 9.1269 9.3079 9.3079 9.9133 9.9133 11.1573 11.1573 k =-0.2740 0.3264 0.9001 ( 4265 PWs) bands (ev): -20.0898 -20.0898 -20.0782 -20.0782 -5.9618 -5.9618 -5.5701 -5.5701 -5.0011 -5.0011 -4.8489 -4.8489 -4.2029 -4.2029 -4.0906 -4.0906 -3.8822 -3.8822 -3.8705 -3.8705 1.2573 1.2573 2.7811 2.7811 3.0665 3.0665 3.2406 3.2406 3.9075 3.9075 4.4006 4.4006 4.8726 4.8726 5.1789 5.1789 5.4970 5.4970 6.7049 6.7049 9.1222 9.1222 9.3090 9.3090 9.9148 9.9148 11.1577 11.1577 k =-0.2632 0.3134 0.9085 ( 4263 PWs) bands (ev): -20.0898 -20.0898 -20.0781 -20.0781 -5.9606 -5.9606 -5.5718 -5.5718 -5.0005 -5.0005 -4.8489 -4.8489 -4.2026 -4.2026 -4.0908 -4.0908 -3.8825 -3.8825 -3.8706 -3.8706 1.2577 1.2577 2.7789 2.7789 3.0656 3.0656 3.2454 3.2454 3.9058 3.9058 4.4000 4.4000 4.8729 4.8729 5.1796 5.1796 5.4983 5.4983 6.7041 6.7041 9.1085 9.1085 9.3123 9.3123 9.9190 9.9190 11.1589 11.1589 k =-0.2523 0.3005 0.9169 ( 4254 PWs) bands (ev): -20.0898 -20.0898 -20.0781 -20.0781 -5.9586 -5.9586 -5.5745 -5.5745 -4.9996 -4.9996 -4.8489 -4.8489 -4.2021 -4.2021 -4.0911 -4.0911 -3.8830 -3.8830 -3.8707 -3.8707 1.2584 1.2584 2.7754 2.7754 3.0642 3.0642 3.2531 3.2531 3.9031 3.9031 4.3991 4.3991 4.8734 4.8734 5.1809 5.1809 5.5005 5.5005 6.7028 6.7028 9.0861 9.0861 9.3179 9.3179 9.9261 9.9261 11.1609 11.1609 k =-0.2414 0.2876 0.9253 ( 4256 PWs) bands (ev): -20.0898 -20.0898 -20.0781 -20.0781 -5.9559 -5.9559 -5.5783 -5.5783 -4.9983 -4.9983 -4.8489 -4.8489 -4.2014 -4.2014 -4.0916 -4.0916 -3.8838 -3.8838 -3.8709 -3.8709 1.2592 1.2592 2.7707 2.7707 3.0624 3.0624 3.2633 3.2633 3.8993 3.8993 4.3979 4.3979 4.8740 4.8740 5.1826 5.1826 5.5036 5.5036 6.7009 6.7009 9.0561 9.0561 9.3258 9.3258 9.9358 9.9358 11.1638 11.1638 k =-0.2305 0.2746 0.9337 ( 4254 PWs) bands (ev): -20.0899 -20.0899 -20.0780 -20.0780 -5.9523 -5.9523 -5.5831 -5.5831 -4.9968 -4.9968 -4.8489 -4.8489 -4.2006 -4.2006 -4.0923 -4.0923 -3.8847 -3.8847 -3.8711 -3.8711 1.2603 1.2603 2.7650 2.7650 3.0604 3.0604 3.2758 3.2758 3.8944 3.8944 4.3963 4.3963 4.8749 4.8749 5.1846 5.1846 5.5075 5.5075 6.6985 6.6985 9.0196 9.0196 9.3358 9.3358 9.9480 9.9480 11.1676 11.1676 k =-0.2197 0.2617 0.9421 ( 4252 PWs) bands (ev): -20.0900 -20.0900 -20.0780 -20.0780 -5.9480 -5.9480 -5.5888 -5.5888 -4.9950 -4.9950 -4.8489 -4.8489 -4.1995 -4.1995 -4.0931 -4.0931 -3.8858 -3.8858 -3.8714 -3.8714 1.2616 1.2616 2.7586 2.7586 3.0583 3.0583 3.2900 3.2900 3.8886 3.8886 4.3945 4.3945 4.8759 4.8759 5.1870 5.1870 5.5124 5.5124 6.6958 6.6958 8.9778 8.9778 9.3478 9.3478 9.9628 9.9628 11.1722 11.1722 k =-0.2088 0.2487 0.9505 ( 4258 PWs) bands (ev): -20.0900 -20.0900 -20.0779 -20.0779 -5.9429 -5.9429 -5.5954 -5.5954 -4.9930 -4.9930 -4.8488 -4.8488 -4.1984 -4.1984 -4.0940 -4.0940 -3.8872 -3.8872 -3.8717 -3.8717 1.2631 1.2631 2.7516 2.7516 3.0563 3.0563 3.3057 3.3057 3.8818 3.8818 4.3925 4.3925 4.8770 4.8770 5.1897 5.1897 5.5181 5.5181 6.6926 6.6926 8.9320 8.9320 9.3618 9.3618 9.9799 9.9799 11.1778 11.1778 k =-0.1979 0.2358 0.9589 ( 4258 PWs) bands (ev): -20.0901 -20.0901 -20.0778 -20.0778 -5.9370 -5.9370 -5.6028 -5.6028 -4.9909 -4.9909 -4.8488 -4.8488 -4.1970 -4.1970 -4.0950 -4.0950 -3.8887 -3.8887 -3.8721 -3.8721 1.2647 1.2647 2.7444 2.7444 3.0542 3.0542 3.3224 3.3224 3.8742 3.8742 4.3902 4.3902 4.8783 4.8783 5.1925 5.1925 5.5246 5.5246 6.6891 6.6891 8.8834 8.8834 9.3776 9.3776 9.9994 9.9994 11.1841 11.1841 k =-0.1871 0.2228 0.9673 ( 4252 PWs) bands (ev): -20.0902 -20.0902 -20.0778 -20.0778 -5.9304 -5.9304 -5.6108 -5.6108 -4.9888 -4.9888 -4.8487 -4.8487 -4.1956 -4.1956 -4.0962 -4.0962 -3.8904 -3.8904 -3.8724 -3.8724 1.2665 1.2665 2.7372 2.7372 3.0524 3.0524 3.3399 3.3399 3.8658 3.8658 4.3879 4.3879 4.8797 4.8797 5.1954 5.1954 5.5320 5.5320 6.6853 6.6853 8.8332 8.8332 9.3948 9.3948 10.0212 10.0212 11.1911 11.1911 k =-0.1762 0.2099 0.9757 ( 4248 PWs) bands (ev): -20.0903 -20.0903 -20.0777 -20.0777 -5.9232 -5.9232 -5.6195 -5.6195 -4.9867 -4.9867 -4.8486 -4.8486 -4.1940 -4.1940 -4.0975 -4.0975 -3.8924 -3.8924 -3.8728 -3.8728 1.2683 1.2683 2.7300 2.7300 3.0506 3.0506 3.3578 3.3578 3.8567 3.8567 4.3854 4.3854 4.8812 4.8812 5.1984 5.1984 5.5401 5.5401 6.6813 6.6813 8.7825 8.7825 9.4133 9.4133 10.0452 10.0452 11.1986 11.1986 k =-0.1762 0.2099 0.9757 ( 4248 PWs) bands (ev): -20.0903 -20.0903 -20.0777 -20.0777 -5.9232 -5.9232 -5.6195 -5.6195 -4.9867 -4.9867 -4.8486 -4.8486 -4.1940 -4.1940 -4.0975 -4.0975 -3.8924 -3.8924 -3.8728 -3.8728 1.2683 1.2683 2.7300 2.7300 3.0506 3.0506 3.3578 3.3578 3.8567 3.8567 4.3854 4.3854 4.8812 4.8812 5.1984 5.1984 5.5401 5.5401 6.6813 6.6813 8.7825 8.7825 9.4133 9.4133 10.0452 10.0452 11.1986 11.1986 k =-0.1636 0.1949 0.9757 ( 4256 PWs) bands (ev): -20.0901 -20.0901 -20.0771 -20.0771 -5.9092 -5.9092 -5.6255 -5.6255 -4.9873 -4.9873 -4.8504 -4.8504 -4.1947 -4.1947 -4.1010 -4.1010 -3.8958 -3.8958 -3.8741 -3.8741 1.2530 1.2530 2.7469 2.7469 3.0516 3.0516 3.4007 3.4007 3.8143 3.8143 4.3889 4.3889 4.8601 4.8601 5.2106 5.2106 5.5287 5.5287 6.6936 6.6936 8.7504 8.7504 9.4165 9.4165 10.0661 10.0661 11.2108 11.2108 k =-0.1510 0.1799 0.9757 ( 4253 PWs) bands (ev): -20.0900 -20.0900 -20.0765 -20.0765 -5.8953 -5.8953 -5.6320 -5.6320 -4.9878 -4.9878 -4.8521 -4.8521 -4.1952 -4.1952 -4.1044 -4.1044 -3.8993 -3.8993 -3.8752 -3.8752 1.2389 1.2389 2.7636 2.7636 3.0525 3.0525 3.4437 3.4437 3.7721 3.7721 4.3924 4.3924 4.8389 4.8389 5.2234 5.2234 5.5180 5.5180 6.7041 6.7041 8.7181 8.7181 9.4219 9.4219 10.0912 10.0912 11.2209 11.2209 k =-0.1384 0.1649 0.9757 ( 4251 PWs) bands (ev): -20.0899 -20.0899 -20.0760 -20.0760 -5.8814 -5.8814 -5.6391 -5.6391 -4.9880 -4.9880 -4.8536 -4.8536 -4.1954 -4.1954 -4.1078 -4.1078 -3.9028 -3.9028 -3.8762 -3.8762 1.2262 1.2262 2.7800 2.7800 3.0534 3.0534 3.4861 3.4861 3.7305 3.7305 4.3958 4.3958 4.8176 4.8176 5.2365 5.2365 5.5079 5.5079 6.7128 6.7128 8.6862 8.6862 9.4294 9.4294 10.1204 10.1204 11.2279 11.2279 k =-0.1259 0.1499 0.9757 ( 4255 PWs) bands (ev): -20.0898 -20.0898 -20.0756 -20.0756 -5.8675 -5.8675 -5.6466 -5.6466 -4.9882 -4.9882 -4.8550 -4.8550 -4.1953 -4.1953 -4.1112 -4.1112 -3.9062 -3.9062 -3.8772 -3.8772 1.2147 1.2147 2.7961 2.7961 3.0547 3.0547 3.5271 3.5271 3.6902 3.6902 4.3988 4.3988 4.7966 4.7966 5.2499 5.2499 5.4983 5.4983 6.7198 6.7198 8.6553 8.6553 9.4384 9.4384 10.1534 10.1534 11.2309 11.2309 k =-0.1133 0.1349 0.9757 ( 4259 PWs) bands (ev): -20.0897 -20.0897 -20.0751 -20.0751 -5.8538 -5.8538 -5.6546 -5.6546 -4.9883 -4.9883 -4.8562 -4.8562 -4.1951 -4.1951 -4.1144 -4.1144 -3.9094 -3.9094 -3.8781 -3.8781 1.2045 1.2045 2.8118 2.8118 3.0564 3.0564 3.5647 3.5647 3.6531 3.6531 4.4014 4.4014 4.7758 4.7758 5.2633 5.2633 5.4893 5.4893 6.7252 6.7252 8.6260 8.6260 9.4487 9.4487 10.1903 10.1903 11.2286 11.2286 k =-0.1007 0.1199 0.9757 ( 4260 PWs) bands (ev): -20.0896 -20.0896 -20.0747 -20.0747 -5.8403 -5.8403 -5.6629 -5.6629 -4.9883 -4.9883 -4.8574 -4.8574 -4.1946 -4.1946 -4.1176 -4.1176 -3.9124 -3.9124 -3.8789 -3.8789 1.1955 1.1955 2.8268 2.8268 3.0587 3.0587 3.5856 3.5856 3.6323 3.6323 4.4036 4.4036 4.7556 4.7556 5.2767 5.2767 5.4807 5.4807 6.7293 6.7293 8.5987 8.5987 9.4598 9.4598 10.2305 10.2305 11.2200 11.2200 k =-0.0881 0.1049 0.9757 ( 4255 PWs) bands (ev): -20.0896 -20.0896 -20.0744 -20.0744 -5.8270 -5.8270 -5.6716 -5.6716 -4.9882 -4.9882 -4.8584 -4.8584 -4.1941 -4.1941 -4.1206 -4.1206 -3.9151 -3.9151 -3.8796 -3.8796 1.1876 1.1876 2.8410 2.8410 3.0618 3.0618 3.5641 3.5641 3.6536 3.6536 4.4053 4.4053 4.7363 4.7363 5.2897 5.2897 5.4725 5.4725 6.7323 6.7323 8.5739 8.5739 9.4711 9.4711 10.2738 10.2738 11.2041 11.2041 k =-0.0755 0.0900 0.9757 ( 4258 PWs) bands (ev): -20.0895 -20.0895 -20.0741 -20.0741 -5.8139 -5.8139 -5.6806 -5.6806 -4.9881 -4.9881 -4.8593 -4.8593 -4.1934 -4.1934 -4.1234 -4.1234 -3.9176 -3.9176 -3.8802 -3.8802 1.1809 1.1809 2.8541 2.8541 3.0657 3.0657 3.5324 3.5324 3.6844 3.6844 4.4066 4.4066 4.7182 4.7182 5.3023 5.3023 5.4647 5.4647 6.7343 6.7343 8.5517 8.5517 9.4823 9.4823 10.3193 10.3193 11.1806 11.1806 k =-0.0629 0.0750 0.9757 ( 4262 PWs) bands (ev): -20.0895 -20.0895 -20.0738 -20.0738 -5.8011 -5.8011 -5.6900 -5.6900 -4.9880 -4.9880 -4.8601 -4.8601 -4.1926 -4.1926 -4.1259 -4.1259 -3.9197 -3.9197 -3.8807 -3.8807 1.1753 1.1753 2.8657 2.8657 3.0703 3.0703 3.5020 3.5020 3.7135 3.7135 4.4075 4.4075 4.7018 4.7018 5.3140 5.3140 5.4574 5.4574 6.7355 6.7355 8.5325 8.5325 9.4927 9.4927 10.3660 10.3660 11.1501 11.1501 k =-0.0503 0.0600 0.9757 ( 4259 PWs) bands (ev): -20.0894 -20.0894 -20.0736 -20.0736 -5.7886 -5.7886 -5.6996 -5.6996 -4.9879 -4.9879 -4.8607 -4.8607 -4.1919 -4.1919 -4.1281 -4.1281 -3.9215 -3.9215 -3.8812 -3.8812 1.1708 1.1708 2.8756 2.8756 3.0754 3.0754 3.4748 3.4748 3.7389 3.7389 4.4081 4.4081 4.6875 4.6875 5.3247 5.3247 5.4507 5.4507 6.7362 6.7362 8.5165 8.5165 9.5020 9.5020 10.4124 10.4124 11.1147 11.1147 k =-0.0378 0.0450 0.9757 ( 4261 PWs) bands (ev): -20.0894 -20.0894 -20.0734 -20.0734 -5.7764 -5.7764 -5.7096 -5.7096 -4.9878 -4.9878 -4.8612 -4.8612 -4.1912 -4.1912 -4.1299 -4.1299 -3.9229 -3.9229 -3.8816 -3.8816 1.1673 1.1673 2.8835 2.8835 3.0805 3.0805 3.4519 3.4519 3.7597 3.7597 4.4083 4.4083 4.6758 4.6758 5.3339 5.3339 5.4448 5.4448 6.7365 6.7365 8.5039 8.5039 9.5097 9.5097 10.4561 10.4561 11.0777 11.0777 k =-0.0252 0.0300 0.9757 ( 4263 PWs) bands (ev): -20.0894 -20.0894 -20.0733 -20.0733 -5.7646 -5.7646 -5.7198 -5.7198 -4.9877 -4.9877 -4.8616 -4.8616 -4.1907 -4.1907 -4.1313 -4.1313 -3.9239 -3.9239 -3.8818 -3.8818 1.1648 1.1648 2.8892 2.8892 3.0851 3.0851 3.4345 3.4345 3.7751 3.7751 4.4083 4.4083 4.6670 4.6670 5.3412 5.3412 5.4399 5.4399 6.7366 6.7366 8.4948 8.4948 9.5155 9.5155 10.4933 10.4933 11.0440 11.0440 k =-0.0126 0.0150 0.9757 ( 4267 PWs) bands (ev): -20.0894 -20.0894 -20.0733 -20.0733 -5.7531 -5.7531 -5.7303 -5.7303 -4.9876 -4.9876 -4.8618 -4.8618 -4.1903 -4.1903 -4.1321 -4.1321 -3.9245 -3.9245 -3.8820 -3.8820 1.1634 1.1634 2.8926 2.8926 3.0882 3.0882 3.4235 3.4235 3.7846 3.7846 4.4083 4.4083 4.6617 4.6617 5.3459 5.3459 5.4367 5.4367 6.7366 6.7366 8.4893 8.4893 9.5190 9.5190 10.5193 10.5193 11.0197 11.0197 k = 0.0000 0.0000 0.9757 ( 4268 PWs) bands (ev): -20.0894 -20.0894 -20.0732 -20.0732 -5.7443 -5.7443 -5.7389 -5.7389 -4.9876 -4.9876 -4.8619 -4.8619 -4.1902 -4.1902 -4.1324 -4.1324 -3.9248 -3.9248 -3.8820 -3.8820 1.1629 1.1629 2.8938 2.8938 3.0894 3.0894 3.4198 3.4198 3.7878 3.7878 4.4083 4.4083 4.6598 4.6598 5.3476 5.3476 5.4356 5.4356 6.7366 6.7366 8.4875 8.4875 9.5203 9.5203 10.5287 10.5287 11.0108 11.0108 k = 0.0000 0.0000 0.9757 ( 4268 PWs) bands (ev): -20.0894 -20.0894 -20.0732 -20.0732 -5.7443 -5.7443 -5.7389 -5.7389 -4.9876 -4.9876 -4.8619 -4.8619 -4.1902 -4.1902 -4.1324 -4.1324 -3.9248 -3.9248 -3.8820 -3.8820 1.1629 1.1629 2.8938 2.8938 3.0894 3.0894 3.4198 3.4198 3.7878 3.7878 4.4083 4.4083 4.6598 4.6598 5.3476 5.3476 5.4356 5.4356 6.7366 6.7366 8.4875 8.4875 9.5203 9.5203 10.5287 10.5287 11.0108 11.0108 k = 0.0156 0.0131 0.9757 ( 4268 PWs) bands (ev): -20.0894 -20.0894 -20.0732 -20.0732 -5.7452 -5.7452 -5.7378 -5.7378 -4.9882 -4.9882 -4.8614 -4.8614 -4.1914 -4.1914 -4.1317 -4.1317 -3.9260 -3.9260 -3.8802 -3.8802 1.1628 1.1628 2.8935 2.8935 3.0886 3.0886 3.4207 3.4207 3.7878 3.7878 4.4083 4.4083 4.6599 4.6599 5.3473 5.3473 5.4358 5.4358 6.7367 6.7367 8.4867 8.4867 9.5214 9.5214 10.5286 10.5286 11.0031 11.0031 k = 0.0312 0.0262 0.9757 ( 4264 PWs) bands (ev): -20.0894 -20.0894 -20.0732 -20.0732 -5.7470 -5.7470 -5.7355 -5.7355 -4.9899 -4.9899 -4.8602 -4.8602 -4.1947 -4.1947 -4.1300 -4.1300 -3.9293 -3.9293 -3.8752 -3.8752 1.1628 1.1628 2.8927 2.8927 3.0865 3.0865 3.4236 3.4236 3.7879 3.7879 4.4082 4.4082 4.6600 4.6600 5.3467 5.3467 5.4366 5.4366 6.7368 6.7368 8.4842 8.4842 9.5248 9.5248 10.5284 10.5284 10.9821 10.9821 k = 0.0469 0.0394 0.9757 ( 4258 PWs) bands (ev): -20.0894 -20.0894 -20.0732 -20.0732 -5.7489 -5.7489 -5.7328 -5.7328 -4.9926 -4.9926 -4.8582 -4.8582 -4.1997 -4.1997 -4.1275 -4.1275 -3.9335 -3.9335 -3.8683 -3.8683 1.1627 1.1627 2.8913 2.8913 3.0831 3.0831 3.4280 3.4280 3.7880 3.7880 4.4081 4.4081 4.6602 4.6602 5.3456 5.3456 5.4378 5.4378 6.7371 6.7371 8.4802 8.4802 9.5303 9.5303 10.5280 10.5280 10.9518 10.9518 k = 0.0625 0.0525 0.9757 ( 4254 PWs) bands (ev): -20.0894 -20.0894 -20.0732 -20.0732 -5.7507 -5.7507 -5.7299 -5.7299 -4.9962 -4.9962 -4.8556 -4.8556 -4.2058 -4.2058 -4.1247 -4.1247 -3.9378 -3.9378 -3.8603 -3.8603 1.1627 1.1627 2.8893 2.8893 3.0789 3.0789 3.4339 3.4339 3.7881 3.7881 4.4080 4.4080 4.6605 4.6605 5.3441 5.3441 5.4394 5.4394 6.7374 6.7374 8.4749 8.4749 9.5377 9.5377 10.5274 10.5274 10.9163 10.9163 k = 0.0781 0.0656 0.9757 ( 4254 PWs) bands (ev): -20.0894 -20.0894 -20.0732 -20.0732 -5.7523 -5.7523 -5.7270 -5.7270 -5.0004 -5.0004 -4.8526 -4.8526 -4.2126 -4.2126 -4.1218 -4.1218 -3.9420 -3.9420 -3.8518 -3.8518 1.1625 1.1625 2.8869 2.8869 3.0739 3.0739 3.4407 3.4407 3.7882 3.7882 4.4079 4.4079 4.6608 4.6608 5.3425 5.3425 5.4413 5.4413 6.7378 6.7378 8.4685 8.4685 9.5467 9.5467 10.5266 10.5266 10.8788 10.8788 k = 0.0938 0.0787 0.9757 ( 4254 PWs) bands (ev): -20.0894 -20.0894 -20.0733 -20.0733 -5.7538 -5.7538 -5.7240 -5.7240 -5.0050 -5.0050 -4.8494 -4.8494 -4.2198 -4.2198 -4.1192 -4.1192 -3.9457 -3.9457 -3.8430 -3.8430 1.1624 1.1624 2.8840 2.8840 3.0687 3.0687 3.4483 3.4483 3.7884 3.7884 4.4077 4.4077 4.6612 4.6612 5.3406 5.3406 5.4434 5.4434 6.7383 6.7383 8.4613 8.4613 9.5568 9.5568 10.5256 10.5256 10.8416 10.8416 k = 0.1094 0.0918 0.9757 ( 4252 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7551 -5.7551 -5.7210 -5.7210 -5.0099 -5.0099 -4.8461 -4.8461 -4.2270 -4.2270 -4.1169 -4.1169 -3.9489 -3.9489 -3.8344 -3.8344 1.1623 1.1623 2.8808 2.8808 3.0635 3.0635 3.4561 3.4561 3.7886 3.7886 4.4075 4.4075 4.6617 4.6617 5.3387 5.3387 5.4455 5.4455 6.7388 6.7388 8.4536 8.4536 9.5677 9.5677 10.5242 10.5242 10.8059 10.8059 k = 0.1250 0.1049 0.9757 ( 4256 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7562 -5.7562 -5.7181 -5.7181 -5.0147 -5.0147 -4.8428 -4.8428 -4.2340 -4.2340 -4.1149 -4.1149 -3.9516 -3.9516 -3.8262 -3.8262 1.1621 1.1621 2.8773 2.8773 3.0585 3.0585 3.4640 3.4640 3.7888 3.7888 4.4073 4.4073 4.6621 4.6621 5.3368 5.3368 5.4477 5.4477 6.7393 6.7393 8.4457 8.4457 9.5790 9.5790 10.5225 10.5225 10.7729 10.7729 k = 0.1406 0.1181 0.9757 ( 4250 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7572 -5.7572 -5.7154 -5.7154 -5.0194 -5.0194 -4.8397 -4.8397 -4.2407 -4.2407 -4.1132 -4.1132 -3.9538 -3.9538 -3.8184 -3.8184 1.1620 1.1620 2.8737 2.8737 3.0539 3.0539 3.4716 3.4716 3.7890 3.7890 4.4071 4.4071 4.6626 4.6626 5.3350 5.3350 5.4498 5.4498 6.7398 6.7398 8.4380 8.4380 9.5902 9.5902 10.5205 10.5205 10.7432 10.7432 k = 0.1562 0.1312 0.9757 ( 4246 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7581 -5.7581 -5.7129 -5.7129 -5.0239 -5.0239 -4.8369 -4.8369 -4.2468 -4.2468 -4.1119 -4.1119 -3.9556 -3.9556 -3.8114 -3.8114 1.1619 1.1619 2.8702 2.8702 3.0498 3.0498 3.4786 3.4786 3.7892 3.7892 4.4069 4.4069 4.6630 4.6630 5.3333 5.3333 5.4518 5.4518 6.7403 6.7403 8.4306 8.4306 9.6009 9.6009 10.5182 10.5182 10.7172 10.7172 k = 0.1719 0.1443 0.9757 ( 4248 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7587 -5.7587 -5.7106 -5.7106 -5.0279 -5.0279 -4.8343 -4.8343 -4.2522 -4.2522 -4.1108 -4.1108 -3.9569 -3.9569 -3.8052 -3.8052 1.1618 1.1618 2.8668 2.8668 3.0463 3.0463 3.4849 3.4849 3.7894 3.7894 4.4068 4.4068 4.6634 4.6634 5.3318 5.3318 5.4536 5.4536 6.7408 6.7408 8.4240 8.4240 9.6107 9.6107 10.5157 10.5157 10.6953 10.6953 k = 0.1875 0.1574 0.9757 ( 4248 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7593 -5.7593 -5.7087 -5.7087 -5.0313 -5.0313 -4.8322 -4.8322 -4.2568 -4.2568 -4.1100 -4.1100 -3.9580 -3.9580 -3.7999 -3.7999 1.1616 1.1616 2.8638 2.8638 3.0434 3.0434 3.4902 3.4902 3.7896 3.7896 4.4066 4.4066 4.6637 4.6637 5.3305 5.3305 5.4551 5.4551 6.7412 6.7412 8.4182 8.4182 9.6192 9.6192 10.5131 10.5131 10.6775 10.6775 k = 0.2031 0.1705 0.9757 ( 4252 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7597 -5.7597 -5.7071 -5.7071 -5.0341 -5.0341 -4.8305 -4.8305 -4.2605 -4.2605 -4.1095 -4.1095 -3.9587 -3.9587 -3.7957 -3.7957 1.1616 1.1616 2.8613 2.8613 3.0412 3.0412 3.4945 3.4945 3.7897 3.7897 4.4065 4.4065 4.6640 4.6640 5.3294 5.3294 5.4563 5.4563 6.7415 6.7415 8.4135 8.4135 9.6263 9.6263 10.5106 10.5106 10.6639 10.6639 k = 0.2188 0.1836 0.9757 ( 4252 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7600 -5.7600 -5.7060 -5.7060 -5.0361 -5.0361 -4.8292 -4.8292 -4.2632 -4.2632 -4.1091 -4.1091 -3.9592 -3.9592 -3.7927 -3.7927 1.1615 1.1615 2.8594 2.8594 3.0396 3.0396 3.4977 3.4977 3.7898 3.7898 4.4064 4.4064 4.6642 4.6642 5.3287 5.3287 5.4572 5.4572 6.7417 6.7417 8.4101 8.4101 9.6314 9.6314 10.5086 10.5086 10.6544 10.6544 k = 0.2344 0.1968 0.9757 ( 4254 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7602 -5.7602 -5.7053 -5.7053 -5.0373 -5.0373 -4.8285 -4.8285 -4.2648 -4.2648 -4.1088 -4.1088 -3.9595 -3.9595 -3.7908 -3.7908 1.1614 1.1614 2.8583 2.8583 3.0387 3.0387 3.4996 3.4996 3.7898 3.7898 4.4064 4.4064 4.6644 4.6644 5.3282 5.3282 5.4577 5.4577 6.7419 6.7419 8.4080 8.4080 9.6346 9.6346 10.5072 10.5072 10.6488 10.6488 k = 0.2500 0.2099 0.9757 ( 4256 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7602 -5.7602 -5.7050 -5.7050 -5.0378 -5.0378 -4.8282 -4.8282 -4.2653 -4.2653 -4.1088 -4.1088 -3.9596 -3.9596 -3.7902 -3.7902 1.1614 1.1614 2.8579 2.8579 3.0384 3.0384 3.5002 3.5002 3.7899 3.7899 4.4063 4.4063 4.6644 4.6644 5.3281 5.3281 5.4579 5.4579 6.7419 6.7419 8.4073 8.4073 9.6357 9.6357 10.5068 10.5068 10.6469 10.6469 k = 0.2500 0.2099 0.9757 ( 4256 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7602 -5.7602 -5.7050 -5.7050 -5.0378 -5.0378 -4.8282 -4.8282 -4.2653 -4.2653 -4.1088 -4.1088 -3.9596 -3.9596 -3.7902 -3.7902 1.1614 1.1614 2.8579 2.8579 3.0384 3.0384 3.5002 3.5002 3.7899 3.7899 4.4063 4.4063 4.6644 4.6644 5.3281 5.3281 5.4579 5.4579 6.7419 6.7419 8.4073 8.4073 9.6357 9.6357 10.5068 10.5068 10.6469 10.6469 k = 0.2381 0.2241 0.9665 ( 4254 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7629 -5.7629 -5.7021 -5.7021 -5.0377 -5.0377 -4.8285 -4.8285 -4.2653 -4.2653 -4.1089 -4.1089 -3.9596 -3.9596 -3.7902 -3.7902 1.1612 1.1612 2.8584 2.8584 3.0391 3.0391 3.5003 3.5003 3.7883 3.7883 4.4066 4.4066 4.6646 4.6646 5.3280 5.3280 5.4570 5.4570 6.7429 6.7429 8.4104 8.4104 9.6327 9.6327 10.5041 10.5041 10.6500 10.6500 k = 0.2262 0.2382 0.9573 ( 4252 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7696 -5.7696 -5.6947 -5.6947 -5.0375 -5.0375 -4.8293 -4.8293 -4.2651 -4.2651 -4.1094 -4.1094 -3.9596 -3.9596 -3.7901 -3.7901 1.1604 1.1604 2.8601 2.8601 3.0412 3.0412 3.5006 3.5006 3.7836 3.7836 4.4072 4.4072 4.6651 4.6651 5.3279 5.3279 5.4542 5.4542 6.7456 6.7456 8.4198 8.4198 9.6238 9.6238 10.4955 10.4955 10.6602 10.6602 k = 0.2143 0.2524 0.9481 ( 4250 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7783 -5.7783 -5.6848 -5.6848 -5.0371 -5.0371 -4.8306 -4.8306 -4.2648 -4.2648 -4.1101 -4.1101 -3.9596 -3.9596 -3.7900 -3.7900 1.1591 1.1591 2.8628 2.8628 3.0446 3.0446 3.5010 3.5010 3.7758 3.7758 4.4082 4.4082 4.6659 4.6659 5.3276 5.3276 5.4497 5.4497 6.7501 6.7501 8.4354 8.4354 9.6098 9.6098 10.4798 10.4798 10.6790 10.6790 k = 0.2024 0.2666 0.9389 ( 4254 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7879 -5.7879 -5.6735 -5.6735 -5.0367 -5.0367 -4.8324 -4.8324 -4.2644 -4.2644 -4.1112 -4.1112 -3.9595 -3.9595 -3.7899 -3.7899 1.1573 1.1573 2.8665 2.8665 3.0494 3.0494 3.5016 3.5016 3.7652 3.7652 4.4096 4.4096 4.6669 4.6669 5.3273 5.3273 5.4436 5.4436 6.7562 6.7562 8.4568 8.4568 9.5914 9.5914 10.4569 10.4569 10.7066 10.7066 k = 0.1905 0.2808 0.9297 ( 4256 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7978 -5.7978 -5.6616 -5.6616 -5.0361 -5.0361 -4.8348 -4.8348 -4.2639 -4.2639 -4.1124 -4.1124 -3.9595 -3.9595 -3.7897 -3.7897 1.1551 1.1551 2.8712 2.8712 3.0555 3.0555 3.5023 3.5023 3.7519 3.7519 4.4113 4.4113 4.6683 4.6683 5.3267 5.3267 5.4361 5.4361 6.7637 6.7637 8.4839 8.4839 9.5697 9.5697 10.4282 10.4282 10.7422 10.7422 k = 0.1786 0.2950 0.9205 ( 4258 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8075 -5.8075 -5.6495 -5.6495 -5.0353 -5.0353 -4.8375 -4.8375 -4.2633 -4.2633 -4.1140 -4.1140 -3.9594 -3.9594 -3.7895 -3.7895 1.1525 1.1525 2.8768 2.8768 3.0628 3.0628 3.5031 3.5031 3.7362 3.7362 4.4132 4.4132 4.6698 4.6698 5.3260 5.3260 5.4275 5.4275 6.7724 6.7724 8.5161 8.5161 9.5457 9.5457 10.3952 10.3952 10.7844 10.7844 k = 0.1667 0.3091 0.9113 ( 4256 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8169 -5.8169 -5.6372 -5.6372 -5.0345 -5.0345 -4.8407 -4.8407 -4.2625 -4.2625 -4.1157 -4.1157 -3.9593 -3.9593 -3.7892 -3.7892 1.1496 1.1496 2.8831 2.8831 3.0713 3.0713 3.5040 3.5040 3.7185 3.7185 4.4153 4.4153 4.6715 4.6715 5.3250 5.3250 5.4181 5.4181 6.7821 6.7821 8.5532 8.5532 9.5203 9.5203 10.3596 10.3596 10.8317 10.8317 k = 0.1548 0.3233 0.9021 ( 4250 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8259 -5.8259 -5.6251 -5.6251 -5.0335 -5.0335 -4.8443 -4.8443 -4.2617 -4.2617 -4.1177 -4.1177 -3.9593 -3.9593 -3.7890 -3.7890 1.1465 1.1465 2.8900 2.8900 3.0808 3.0808 3.5049 3.5049 3.6990 3.6990 4.4174 4.4174 4.6733 4.6733 5.3236 5.3236 5.4084 5.4084 6.7925 6.7925 8.5943 8.5943 9.4944 9.4944 10.3226 10.3226 10.8830 10.8830 k = 0.1429 0.3375 0.8929 ( 4252 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8345 -5.8345 -5.6133 -5.6133 -5.0324 -5.0324 -4.8481 -4.8481 -4.2608 -4.2608 -4.1197 -4.1197 -3.9592 -3.9592 -3.7887 -3.7887 1.1433 1.1433 2.8975 2.8975 3.0913 3.0913 3.5058 3.5058 3.6781 3.6781 4.4196 4.4196 4.6751 4.6751 5.3218 5.3218 5.3986 5.3986 6.8032 6.8032 8.6390 8.6390 9.4685 9.4685 10.2853 10.2853 10.9372 10.9372 k = 0.1310 0.3517 0.8837 ( 4258 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8425 -5.8425 -5.6018 -5.6018 -5.0313 -5.0313 -4.8522 -4.8522 -4.2598 -4.2598 -4.1219 -4.1219 -3.9591 -3.9591 -3.7884 -3.7884 1.1399 1.1399 2.9053 2.9053 3.1027 3.1027 3.5066 3.5066 3.6563 3.6563 4.4218 4.4218 4.6770 4.6770 5.3193 5.3193 5.3891 5.3891 6.8142 6.8142 8.6864 8.6864 9.4433 9.4433 10.2486 10.2486 10.9933 10.9933 k = 0.1190 0.3659 0.8745 ( 4258 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8499 -5.8499 -5.5908 -5.5908 -5.0301 -5.0301 -4.8564 -4.8564 -4.2587 -4.2587 -4.1241 -4.1241 -3.9591 -3.9591 -3.7881 -3.7881 1.1365 1.1365 2.9134 2.9134 3.1149 3.1149 3.5070 3.5070 3.6339 3.6339 4.4239 4.4239 4.6789 4.6789 5.3160 5.3160 5.3806 5.3806 6.8251 6.8251 8.7357 8.7357 9.4190 9.4190 10.2131 10.2131 11.0506 11.0506 k = 0.1071 0.3800 0.8653 ( 4262 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8567 -5.8567 -5.5804 -5.5804 -5.0288 -5.0288 -4.8607 -4.8607 -4.2576 -4.2576 -4.1264 -4.1264 -3.9590 -3.9590 -3.7878 -3.7878 1.1332 1.1332 2.9214 2.9214 3.1277 3.1277 3.5070 3.5070 3.6116 3.6116 4.4259 4.4259 4.6807 4.6807 5.3117 5.3117 5.3732 5.3732 6.8356 6.8356 8.7859 8.7859 9.3962 9.3962 10.1796 10.1796 11.1085 11.1085 k = 0.0952 0.3942 0.8561 ( 4262 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8629 -5.8629 -5.5707 -5.5707 -5.0275 -5.0275 -4.8650 -4.8650 -4.2564 -4.2564 -4.1286 -4.1286 -3.9590 -3.9590 -3.7875 -3.7875 1.1301 1.1301 2.9294 2.9294 3.1411 3.1411 3.5059 3.5059 3.5902 3.5902 4.4278 4.4278 4.6824 4.6824 5.3067 5.3067 5.3672 5.3672 6.8457 6.8457 8.8359 8.8359 9.3751 9.3751 10.1484 10.1484 11.1663 11.1663 k = 0.0833 0.4084 0.8469 ( 4266 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8684 -5.8684 -5.5619 -5.5619 -5.0262 -5.0262 -4.8692 -4.8692 -4.2553 -4.2553 -4.1308 -4.1308 -3.9590 -3.9590 -3.7873 -3.7873 1.1271 1.1271 2.9370 2.9370 3.1548 3.1548 3.5028 3.5028 3.5709 3.5709 4.4295 4.4295 4.6840 4.6840 5.3010 5.3010 5.3625 5.3625 6.8550 6.8550 8.8847 8.8847 9.3558 9.3558 10.1201 10.1201 11.2237 11.2237 k = 0.0714 0.4226 0.8377 ( 4266 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8732 -5.8732 -5.5540 -5.5540 -5.0249 -5.0249 -4.8731 -4.8731 -4.2543 -4.2543 -4.1328 -4.1328 -3.9589 -3.9589 -3.7871 -3.7871 1.1244 1.1244 2.9440 2.9440 3.1686 3.1686 3.4965 3.4965 3.5554 3.5554 4.4310 4.4310 4.6855 4.6855 5.2950 5.2950 5.3591 5.3591 6.8634 6.8634 8.9309 8.9309 9.3386 9.3386 10.0949 10.0949 11.2802 11.2802 k = 0.0595 0.4368 0.8285 ( 4270 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8773 -5.8773 -5.5471 -5.5471 -5.0238 -5.0238 -4.8767 -4.8767 -4.2533 -4.2533 -4.1346 -4.1346 -3.9589 -3.9589 -3.7868 -3.7868 1.1221 1.1221 2.9504 2.9504 3.1823 3.1823 3.4861 3.4861 3.5452 3.5452 4.4323 4.4323 4.6867 4.6867 5.2892 5.2892 5.3566 5.3566 6.8708 6.8708 8.9732 8.9732 9.3236 9.3236 10.0732 10.0732 11.3353 11.3353 k = 0.0476 0.4509 0.8193 ( 4274 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8807 -5.8807 -5.5414 -5.5414 -5.0227 -5.0227 -4.8798 -4.8798 -4.2524 -4.2524 -4.1362 -4.1362 -3.9589 -3.9589 -3.7867 -3.7867 1.1201 1.1201 2.9559 2.9559 3.1953 3.1953 3.4726 3.4726 3.5397 3.5397 4.4334 4.4334 4.6878 4.6878 5.2840 5.2840 5.3549 5.3549 6.8770 6.8770 9.0105 9.0105 9.3108 9.3108 10.0551 10.0551 11.3882 11.3882 k = 0.0357 0.4651 0.8101 ( 4278 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8833 -5.8833 -5.5368 -5.5368 -5.0218 -5.0218 -4.8824 -4.8824 -4.2517 -4.2517 -4.1374 -4.1374 -3.9589 -3.9589 -3.7865 -3.7865 1.1185 1.1185 2.9603 2.9603 3.2071 3.2071 3.4589 3.4589 3.5369 3.5369 4.4343 4.4343 4.6887 4.6887 5.2796 5.2796 5.3537 5.3537 6.8819 6.8819 9.0413 9.0413 9.3005 9.3005 10.0410 10.0410 11.4373 11.4373 k = 0.0238 0.4793 0.8009 ( 4284 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8852 -5.8852 -5.5335 -5.5335 -5.0212 -5.0212 -4.8843 -4.8843 -4.2511 -4.2511 -4.1384 -4.1384 -3.9589 -3.9589 -3.7864 -3.7864 1.1173 1.1173 2.9636 2.9636 3.2166 3.2166 3.4471 3.4471 3.5356 3.5356 4.4349 4.4349 4.6893 4.6893 5.2763 5.2763 5.3529 5.3529 6.8855 6.8855 9.0645 9.0645 9.2928 9.2928 10.0308 10.0308 11.4796 11.4796 k = 0.0119 0.4935 0.7917 ( 4284 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8863 -5.8863 -5.5315 -5.5315 -5.0207 -5.0207 -4.8855 -4.8855 -4.2508 -4.2508 -4.1390 -4.1390 -3.9589 -3.9589 -3.7864 -3.7864 1.1166 1.1166 2.9656 2.9656 3.2230 3.2230 3.4392 3.4392 3.5350 3.5350 4.4353 4.4353 4.6897 4.6897 5.2743 5.2743 5.3525 5.3525 6.8876 6.8876 9.0789 9.0789 9.2879 9.2879 10.0246 10.0246 11.5097 11.5097 k = 0.0000 0.5077 0.7825 ( 4282 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8867 -5.8867 -5.5308 -5.5308 -5.0206 -5.0206 -4.8858 -4.8858 -4.2507 -4.2507 -4.1392 -4.1392 -3.9589 -3.9589 -3.7863 -3.7863 1.1163 1.1163 2.9662 2.9662 3.2252 3.2252 3.4364 3.4364 3.5348 3.5348 4.4354 4.4354 4.6898 4.6898 5.2736 5.2736 5.3523 5.3523 6.8884 6.8884 9.0838 9.0838 9.2863 9.2863 10.0226 10.0226 11.5208 11.5208 k = 0.0000 0.5077 0.7825 ( 4282 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8867 -5.8867 -5.5308 -5.5308 -5.0206 -5.0206 -4.8858 -4.8858 -4.2507 -4.2507 -4.1392 -4.1392 -3.9589 -3.9589 -3.7863 -3.7863 1.1163 1.1163 2.9662 2.9662 3.2252 3.2252 3.4364 3.4364 3.5348 3.5348 4.4354 4.4354 4.6898 4.6898 5.2736 5.2736 5.3523 5.3523 6.8884 6.8884 9.0838 9.0838 9.2863 9.2863 10.0226 10.0226 11.5208 11.5208 k = 0.0168 0.5176 0.7761 ( 4286 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.8871 -5.8871 -5.5310 -5.5310 -5.0206 -5.0206 -4.8856 -4.8856 -4.2504 -4.2504 -4.1388 -4.1388 -3.9586 -3.9586 -3.7868 -3.7868 1.1169 1.1169 2.9657 2.9657 3.2230 3.2230 3.4366 3.4366 3.5367 3.5367 4.4353 4.4353 4.6906 4.6906 5.2729 5.2729 5.3531 5.3531 6.8875 6.8875 9.0850 9.0850 9.2857 9.2857 10.0210 10.0210 11.5178 11.5178 k = 0.0335 0.5275 0.7696 ( 4283 PWs) bands (ev): -20.0893 -20.0893 -20.0734 -20.0734 -5.8882 -5.8882 -5.5316 -5.5316 -5.0205 -5.0205 -4.8847 -4.8847 -4.2495 -4.2495 -4.1379 -4.1379 -3.9580 -3.9580 -3.7880 -3.7880 1.1185 1.1185 2.9640 2.9640 3.2164 3.2164 3.4366 3.4366 3.5426 3.5426 4.4350 4.4350 4.6931 4.6931 5.2710 5.2710 5.3553 5.3553 6.8851 6.8851 9.0887 9.0887 9.2838 9.2838 10.0165 10.0165 11.5087 11.5087 k = 0.0503 0.5374 0.7632 ( 4277 PWs) bands (ev): -20.0893 -20.0893 -20.0735 -20.0735 -5.8901 -5.8901 -5.5326 -5.5326 -5.0203 -5.0203 -4.8834 -4.8834 -4.2480 -4.2480 -4.1363 -4.1363 -3.9568 -3.9568 -3.7901 -3.7901 1.1212 1.1212 2.9612 2.9612 3.2065 3.2065 3.4354 3.4354 3.5527 3.5527 4.4345 4.4345 4.6973 4.6973 5.2680 5.2680 5.3589 5.3589 6.8811 6.8811 9.0947 9.0947 9.2807 9.2807 10.0094 10.0094 11.4942 11.4942 k = 0.0670 0.5473 0.7568 ( 4273 PWs) bands (ev): -20.0893 -20.0893 -20.0736 -20.0736 -5.8926 -5.8926 -5.5340 -5.5340 -5.0201 -5.0201 -4.8816 -4.8816 -4.2459 -4.2459 -4.1342 -4.1342 -3.9552 -3.9552 -3.7930 -3.7930 1.1249 1.1249 2.9572 2.9572 3.1943 3.1943 3.4321 3.4321 3.5669 3.5669 4.4338 4.4338 4.7030 4.7030 5.2640 5.2640 5.3636 5.3636 6.8755 6.8755 9.1028 9.1028 9.2765 9.2765 10.0000 10.0000 11.4746 11.4746 k = 0.0838 0.5572 0.7504 ( 4275 PWs) bands (ev): -20.0893 -20.0893 -20.0738 -20.0738 -5.8958 -5.8958 -5.5357 -5.5357 -5.0197 -5.0197 -4.8794 -4.8794 -4.2434 -4.2434 -4.1315 -4.1315 -3.9531 -3.9531 -3.7966 -3.7966 1.1297 1.1297 2.9519 2.9519 3.1808 3.1808 3.4263 3.4263 3.5850 3.5850 4.4329 4.4329 4.7102 4.7102 5.2594 5.2594 5.3692 5.3692 6.8684 6.8684 9.1130 9.1130 9.2710 9.2710 9.9888 9.9888 11.4510 11.4510 k = 0.1005 0.5671 0.7439 ( 4271 PWs) bands (ev): -20.0893 -20.0893 -20.0740 -20.0740 -5.8996 -5.8996 -5.5378 -5.5378 -5.0193 -5.0193 -4.8770 -4.8770 -4.2405 -4.2405 -4.1284 -4.1284 -3.9504 -3.9504 -3.8010 -3.8010 1.1355 1.1355 2.9452 2.9452 3.1669 3.1669 3.4180 3.4180 3.6061 3.6061 4.4317 4.4317 4.7187 4.7187 5.2541 5.2541 5.3758 5.3758 6.8600 6.8600 9.1250 9.1250 9.2645 9.2645 9.9766 9.9766 11.4242 11.4242 k = 0.1173 0.5770 0.7375 ( 4263 PWs) bands (ev): -20.0892 -20.0892 -20.0743 -20.0743 -5.9040 -5.9040 -5.5401 -5.5401 -5.0186 -5.0186 -4.8742 -4.8742 -4.2371 -4.2371 -4.1249 -4.1249 -3.9472 -3.9472 -3.8060 -3.8060 1.1423 1.1423 2.9369 2.9369 3.1531 3.1531 3.4075 3.4075 3.6295 3.6295 4.4303 4.4303 4.7286 4.7286 5.2484 5.2484 5.3831 5.3831 6.8502 6.8502 9.1384 9.1384 9.2570 9.2570 9.9639 9.9639 11.3952 11.3952 k = 0.1341 0.5869 0.7311 ( 4267 PWs) bands (ev): -20.0892 -20.0892 -20.0746 -20.0746 -5.9088 -5.9088 -5.5427 -5.5427 -5.0177 -5.0177 -4.8714 -4.8714 -4.2335 -4.2335 -4.1211 -4.1211 -3.9432 -3.9432 -3.8116 -3.8116 1.1501 1.1501 2.9271 2.9271 3.1400 3.1400 3.3951 3.3951 3.6546 3.6546 4.4286 4.4286 4.7396 4.7396 5.2423 5.2423 5.3911 5.3911 6.8392 6.8392 9.1529 9.1529 9.2486 9.2486 9.9513 9.9513 11.3648 11.3648 k = 0.1508 0.5968 0.7247 ( 4269 PWs) bands (ev): -20.0892 -20.0892 -20.0749 -20.0749 -5.9140 -5.9140 -5.5455 -5.5455 -5.0167 -5.0167 -4.8684 -4.8684 -4.2298 -4.2298 -4.1172 -4.1172 -3.9387 -3.9387 -3.8178 -3.8178 1.1588 1.1588 2.9158 2.9158 3.1279 3.1279 3.3811 3.3811 3.6811 3.6811 4.4266 4.4266 4.7516 4.7516 5.2358 5.2358 5.3999 5.3999 6.8272 6.8272 9.1680 9.1680 9.2398 9.2398 9.9394 9.9394 11.3342 11.3342 k = 0.1676 0.6067 0.7183 ( 4270 PWs) bands (ev): -20.0892 -20.0892 -20.0752 -20.0752 -5.9196 -5.9196 -5.5485 -5.5485 -5.0154 -5.0154 -4.8655 -4.8655 -4.2259 -4.2259 -4.1131 -4.1131 -3.9334 -3.9334 -3.8243 -3.8243 1.1684 1.1684 2.9029 2.9029 3.1170 3.1170 3.3657 3.3657 3.7084 3.7084 4.4243 4.4243 4.7645 4.7645 5.2291 5.2291 5.4093 5.4093 6.8141 6.8141 9.1824 9.1824 9.2314 9.2314 9.9287 9.9287 11.3040 11.3040 k = 0.1843 0.6166 0.7118 ( 4268 PWs) bands (ev): -20.0893 -20.0893 -20.0756 -20.0756 -5.9254 -5.9254 -5.5516 -5.5516 -5.0140 -5.0140 -4.8626 -4.8626 -4.2220 -4.2220 -4.1091 -4.1091 -3.9273 -3.9273 -3.8313 -3.8313 1.1788 1.1788 2.8885 2.8885 3.1072 3.1072 3.3491 3.3491 3.7365 3.7365 4.4217 4.4217 4.7782 4.7782 5.2222 5.2222 5.4194 5.4194 6.8002 6.8002 9.1925 9.1925 9.2269 9.2269 9.9195 9.9195 11.2750 11.2750 k = 0.2011 0.6265 0.7054 ( 4262 PWs) bands (ev): -20.0893 -20.0893 -20.0760 -20.0760 -5.9315 -5.9315 -5.5548 -5.5548 -5.0123 -5.0123 -4.8598 -4.8598 -4.2182 -4.2182 -4.1052 -4.1052 -3.9206 -3.9206 -3.8385 -3.8385 1.1901 1.1901 2.8729 2.8729 3.0986 3.0986 3.3316 3.3316 3.7650 3.7650 4.4188 4.4188 4.7927 4.7927 5.2151 5.2151 5.4303 5.4303 6.7856 6.7856 9.1914 9.1914 9.2330 9.2330 9.9123 9.9123 11.2479 11.2479 k = 0.2179 0.6364 0.6990 ( 4265 PWs) bands (ev): -20.0893 -20.0893 -20.0764 -20.0764 -5.9376 -5.9376 -5.5579 -5.5579 -5.0104 -5.0104 -4.8572 -4.8572 -4.2146 -4.2146 -4.1015 -4.1015 -3.9131 -3.9131 -3.8458 -3.8458 1.2021 1.2021 2.8562 2.8562 3.0910 3.0910 3.3134 3.3134 3.7937 3.7937 4.4156 4.4156 4.8077 4.8077 5.2079 5.2079 5.4420 5.4420 6.7703 6.7703 9.1820 9.1820 9.2466 9.2466 9.9073 9.9073 11.2233 11.2233 k = 0.2346 0.6463 0.6926 ( 4267 PWs) bands (ev): -20.0894 -20.0894 -20.0768 -20.0768 -5.9438 -5.9438 -5.5610 -5.5610 -5.0084 -5.0084 -4.8548 -4.8548 -4.2112 -4.2112 -4.0981 -4.0981 -3.9050 -3.9050 -3.8532 -3.8532 1.2149 1.2149 2.8386 2.8386 3.0843 3.0843 3.2948 3.2948 3.8225 3.8225 4.4122 4.4122 4.8233 4.8233 5.2006 5.2006 5.4544 5.4544 6.7545 6.7545 9.1696 9.1696 9.2621 9.2621 9.9047 9.9047 11.2015 11.2015 k = 0.2514 0.6562 0.6861 ( 4265 PWs) bands (ev): -20.0895 -20.0895 -20.0773 -20.0773 -5.9500 -5.9500 -5.5641 -5.5641 -5.0061 -5.0061 -4.8526 -4.8526 -4.2081 -4.2081 -4.0951 -4.0951 -3.8965 -3.8965 -3.8604 -3.8604 1.2284 1.2284 2.8202 2.8202 3.0782 3.0782 3.2760 3.2760 3.8513 3.8513 4.4085 4.4085 4.8393 4.8393 5.1932 5.1932 5.4676 5.4676 6.7383 6.7383 9.1560 9.1560 9.2779 9.2779 9.9048 9.9048 11.1831 11.1831 k = 0.2681 0.6661 0.6797 ( 4263 PWs) bands (ev): -20.0896 -20.0896 -20.0777 -20.0777 -5.9562 -5.9562 -5.5669 -5.5669 -5.0037 -5.0037 -4.8506 -4.8506 -4.2054 -4.2054 -4.0926 -4.0926 -3.8879 -3.8879 -3.8671 -3.8671 1.2425 1.2425 2.8013 2.8013 3.0725 3.0725 3.2573 3.2573 3.8798 3.8798 4.4047 4.4047 4.8557 4.8557 5.1859 5.1859 5.4817 5.4817 6.7218 6.7218 9.1417 9.1417 9.2933 9.2933 9.9076 9.9076 11.1682 11.1682 k = 0.2849 0.6760 0.6733 ( 4269 PWs) bands (ev): -20.0898 -20.0898 -20.0782 -20.0782 -5.9622 -5.9622 -5.5696 -5.5696 -5.0012 -5.0012 -4.8489 -4.8489 -4.2030 -4.2030 -4.0905 -4.0905 -3.8821 -3.8821 -3.8705 -3.8705 1.2572 1.2572 2.7819 2.7819 3.0669 3.0669 3.2390 3.2390 3.9080 3.9080 4.4007 4.4007 4.8725 4.8725 5.1786 5.1786 5.4966 5.4966 6.7052 6.7052 9.1269 9.1269 9.3079 9.3079 9.9133 9.9133 11.1573 11.1573 k = 0.2849 0.6760 0.6733 ( 4269 PWs) bands (ev): -20.0898 -20.0898 -20.0782 -20.0782 -5.9622 -5.9622 -5.5696 -5.5696 -5.0012 -5.0012 -4.8489 -4.8489 -4.2030 -4.2030 -4.0905 -4.0905 -3.8821 -3.8821 -3.8705 -3.8705 1.2572 1.2572 2.7819 2.7819 3.0669 3.0669 3.2390 3.2390 3.9080 3.9080 4.4007 4.4007 4.8725 4.8725 5.1786 5.1786 5.4966 5.4966 6.7052 6.7052 9.1269 9.1269 9.3079 9.3079 9.9133 9.9133 11.1573 11.1573 k = 0.2907 0.6691 0.6551 ( 4255 PWs) bands (ev): -20.0903 -20.0903 -20.0795 -20.0795 -5.9801 -5.9801 -5.5769 -5.5769 -4.9935 -4.9935 -4.8441 -4.8441 -4.1966 -4.1966 -4.0850 -4.0850 -3.8786 -3.8786 -3.8667 -3.8667 1.3028 1.3028 2.7252 2.7252 3.0492 3.0492 3.1903 3.1903 3.9856 3.9856 4.3907 4.3907 4.9216 4.9216 5.1596 5.1596 5.5412 5.5412 6.6558 6.6558 9.0822 9.0822 9.3517 9.3517 9.9360 9.9360 11.1336 11.1336 k = 0.2965 0.6621 0.6369 ( 4257 PWs) bands (ev): -20.0911 -20.0911 -20.0809 -20.0809 -5.9997 -5.9997 -5.5843 -5.5843 -4.9849 -4.9849 -4.8386 -4.8386 -4.1896 -4.1896 -4.0790 -4.0790 -3.8767 -3.8767 -3.8618 -3.8618 1.3542 1.3542 2.6667 2.6667 3.0227 3.0227 3.1516 3.1516 4.0561 4.0561 4.3867 4.3867 4.9717 4.9717 5.1440 5.1440 5.5880 5.5880 6.6030 6.6030 9.0333 9.0333 9.4018 9.4018 9.9632 9.9632 11.1137 11.1137 k = 0.3023 0.6552 0.6187 ( 4259 PWs) bands (ev): -20.0919 -20.0919 -20.0825 -20.0825 -6.0211 -6.0211 -5.5918 -5.5918 -4.9755 -4.9755 -4.8324 -4.8324 -4.1820 -4.1820 -4.0725 -4.0725 -3.8754 -3.8754 -3.8566 -3.8566 1.4113 1.4113 2.6077 2.6077 2.9810 2.9810 3.1294 3.1294 4.1110 4.1110 4.3972 4.3972 5.0195 5.0195 5.1339 5.1339 5.6363 5.6363 6.5473 6.5473 8.9811 8.9811 9.4577 9.4577 9.9949 9.9949 11.0973 11.0973 k = 0.3081 0.6483 0.6005 ( 4255 PWs) bands (ev): -20.0929 -20.0929 -20.0841 -20.0841 -6.0440 -6.0440 -5.5995 -5.5995 -4.9651 -4.9651 -4.8255 -4.8255 -4.1738 -4.1738 -4.0655 -4.0655 -3.8745 -3.8745 -3.8517 -3.8517 1.4737 1.4737 2.5488 2.5488 2.9272 2.9272 3.1210 3.1210 4.1404 4.1404 4.4320 4.4320 5.0558 5.0558 5.1375 5.1375 5.6858 5.6858 6.4896 6.4896 8.9263 8.9263 9.5186 9.5186 10.0311 10.0311 11.0843 11.0843 k = 0.3140 0.6414 0.5823 ( 4255 PWs) bands (ev): -20.0940 -20.0940 -20.0859 -20.0859 -6.0683 -6.0683 -5.6072 -5.6072 -4.9541 -4.9541 -4.8180 -4.8180 -4.1649 -4.1649 -4.0581 -4.0581 -3.8737 -3.8737 -3.8471 -3.8471 1.5411 1.5411 2.4903 2.4903 2.8677 2.8677 3.1206 3.1206 4.1441 4.1441 4.4912 4.4912 5.0673 5.0673 5.1675 5.1675 5.7361 5.7361 6.4305 6.4305 8.8697 8.8697 9.5840 9.5840 10.0718 10.0718 11.0744 11.0744 k = 0.3198 0.6344 0.5641 ( 4255 PWs) bands (ev): -20.0952 -20.0952 -20.0878 -20.0878 -6.0940 -6.0940 -5.6149 -5.6149 -4.9423 -4.9423 -4.8099 -4.8099 -4.1554 -4.1554 -4.0502 -4.0502 -3.8729 -3.8729 -3.8429 -3.8429 1.6130 1.6130 2.4325 2.4325 2.8066 2.8066 3.1247 3.1247 4.1309 4.1309 4.5658 4.5658 5.0634 5.0634 5.2137 5.2137 5.7866 5.7866 6.3709 6.3709 8.8121 8.8121 9.6535 9.6535 10.1169 10.1169 11.0674 11.0674 k = 0.3256 0.6275 0.5459 ( 4245 PWs) bands (ev): -20.0965 -20.0965 -20.0897 -20.0897 -6.1209 -6.1209 -5.6227 -5.6227 -4.9299 -4.9299 -4.8012 -4.8012 -4.1452 -4.1452 -4.0418 -4.0418 -3.8721 -3.8721 -3.8392 -3.8392 1.6889 1.6889 2.3755 2.3755 2.7460 2.7460 3.1317 3.1317 4.1085 4.1085 4.6477 4.6477 5.0558 5.0558 5.2642 5.2642 5.8366 5.8366 6.3117 6.3117 8.7544 8.7544 9.7266 9.7266 10.1664 10.1664 11.0632 11.0632 k = 0.3314 0.6206 0.5277 ( 4245 PWs) bands (ev): -20.0979 -20.0979 -20.0918 -20.0918 -6.1487 -6.1487 -5.6305 -5.6305 -4.9169 -4.9169 -4.7922 -4.7922 -4.1343 -4.1343 -4.0328 -4.0328 -3.8713 -3.8713 -3.8359 -3.8359 1.7680 1.7680 2.3192 2.3192 2.6876 2.6876 3.1408 3.1408 4.0811 4.0811 4.7316 4.7316 5.0482 5.0482 5.3156 5.3156 5.8850 5.8850 6.2542 6.2542 8.6973 8.6973 9.8028 9.8028 10.2201 10.2201 11.0614 11.0614 k = 0.3372 0.6137 0.5095 ( 4243 PWs) bands (ev): -20.0994 -20.0994 -20.0939 -20.0939 -6.1774 -6.1774 -5.6383 -5.6383 -4.9034 -4.9034 -4.7827 -4.7827 -4.1228 -4.1228 -4.0234 -4.0234 -3.8704 -3.8704 -3.8331 -3.8331 1.8493 1.8493 2.2637 2.2637 2.6329 2.6329 3.1517 3.1517 4.0512 4.0512 4.8128 4.8128 5.0433 5.0433 5.3667 5.3667 5.9290 5.9290 6.2013 6.2013 8.6418 8.6418 9.8819 9.8819 10.2778 10.2778 11.0618 11.0618 k = 0.3430 0.6067 0.4913 ( 4257 PWs) bands (ev): -20.1010 -20.1010 -20.0961 -20.0961 -6.2067 -6.2067 -5.6461 -5.6461 -4.8895 -4.8895 -4.7730 -4.7730 -4.1107 -4.1107 -4.0134 -4.0134 -3.8694 -3.8694 -3.8308 -3.8308 1.9308 1.9308 2.2093 2.2093 2.5837 2.5837 3.1639 3.1639 4.0198 4.0198 4.8840 4.8840 5.0470 5.0470 5.4172 5.4172 5.9622 5.9622 6.1598 6.1598 8.5887 8.5887 9.9633 9.9633 10.3392 10.3392 11.0642 11.0642 k = 0.3488 0.5998 0.4731 ( 4261 PWs) bands (ev): -20.1026 -20.1026 -20.0983 -20.0983 -6.2365 -6.2365 -5.6538 -5.6538 -4.8754 -4.8754 -4.7632 -4.7632 -4.0979 -4.0979 -4.0029 -4.0029 -3.8683 -3.8683 -3.8289 -3.8289 2.0084 2.0084 2.1573 2.1573 2.5429 2.5429 3.1774 3.1774 3.9880 3.9880 4.9300 4.9300 5.0729 5.0729 5.4671 5.4671 5.9700 5.9700 6.1443 6.1443 8.5389 8.5389 10.0467 10.0467 10.4041 10.4041 11.0683 11.0683 k = 0.3547 0.5929 0.4549 ( 4265 PWs) bands (ev): -20.1043 -20.1043 -20.1005 -20.1005 -6.2667 -6.2667 -5.6615 -5.6615 -4.8611 -4.8611 -4.7533 -4.7533 -4.0846 -4.0846 -3.9919 -3.9919 -3.8670 -3.8670 -3.8274 -3.8274 2.0632 2.0632 2.1209 2.1209 2.5161 2.5161 3.1919 3.1919 3.9561 3.9561 4.9436 4.9436 5.1267 5.1267 5.5165 5.5165 5.9454 5.9454 6.1621 6.1621 8.4933 8.4933 10.1317 10.1317 10.4718 10.4718 11.0740 11.0740 k = 0.3605 0.5860 0.4367 ( 4257 PWs) bands (ev): -20.1061 -20.1061 -20.1028 -20.1028 -6.2970 -6.2970 -5.6691 -5.6691 -4.8466 -4.8466 -4.7434 -4.7434 -4.0706 -4.0706 -3.9803 -3.9803 -3.8657 -3.8657 -3.8262 -3.8262 2.0363 2.0363 2.1498 2.1498 2.5124 2.5124 3.2074 3.2074 3.9247 3.9247 4.9397 4.9397 5.1920 5.1920 5.5656 5.5656 5.9032 5.9032 6.1986 6.1986 8.4530 8.4530 10.2179 10.2179 10.5418 10.5418 11.0810 11.0810 k = 0.3663 0.5790 0.4185 ( 4265 PWs) bands (ev): -20.1079 -20.1079 -20.1051 -20.1051 -6.3273 -6.3273 -5.6766 -5.6766 -4.8322 -4.8322 -4.7336 -4.7336 -4.0562 -4.0562 -3.9682 -3.9682 -3.8642 -3.8642 -3.8254 -3.8254 1.9865 1.9865 2.1751 2.1751 2.5416 2.5416 3.2237 3.2237 3.8941 3.8941 4.9286 4.9286 5.2569 5.2569 5.6145 5.6145 5.8559 5.8559 6.2417 6.2417 8.4190 8.4190 10.3047 10.3047 10.6132 10.6132 11.0891 11.0891 k = 0.3721 0.5721 0.4003 ( 4249 PWs) bands (ev): -20.1097 -20.1097 -20.1074 -20.1074 -6.3574 -6.3574 -5.6840 -5.6840 -4.8179 -4.8179 -4.7240 -4.7240 -4.0413 -4.0413 -3.9557 -3.9557 -3.8625 -3.8625 -3.8250 -3.8250 1.9352 1.9352 2.1759 2.1759 2.6030 2.6030 3.2407 3.2407 3.8646 3.8646 4.9138 4.9138 5.3168 5.3168 5.6629 5.6629 5.8087 5.8087 6.2868 6.2868 8.3923 8.3923 10.3915 10.3915 10.6850 10.6850 11.0981 11.0981 k = 0.3779 0.5652 0.3821 ( 4251 PWs) bands (ev): -20.1115 -20.1115 -20.1097 -20.1097 -6.3871 -6.3871 -5.6912 -5.6912 -4.8038 -4.8038 -4.7147 -4.7147 -4.0260 -4.0260 -3.9427 -3.9427 -3.8607 -3.8607 -3.8247 -3.8247 1.8843 1.8843 2.1607 2.1607 2.6858 2.6858 3.2584 3.2584 3.8365 3.8365 4.8965 4.8965 5.3693 5.3693 5.7074 5.7074 5.7667 5.7667 6.3322 6.3322 8.3738 8.3738 10.4774 10.4774 10.7556 10.7556 11.1079 11.1079 k = 0.3837 0.5583 0.3639 ( 4251 PWs) bands (ev): -20.1133 -20.1133 -20.1120 -20.1120 -6.4165 -6.4165 -5.6983 -5.6983 -4.7900 -4.7900 -4.7058 -4.7058 -4.0105 -4.0105 -3.9294 -3.9294 -3.8587 -3.8587 -3.8247 -3.8247 1.8341 1.8341 2.1380 2.1380 2.7805 2.7805 3.2767 3.2767 3.8103 3.8103 4.8771 4.8771 5.4132 5.4132 5.7084 5.7084 5.7705 5.7705 6.3771 6.3771 8.3646 8.3646 10.5611 10.5611 10.8230 10.8230 11.1182 11.1182 k = 0.3895 0.5513 0.3457 ( 4248 PWs) bands (ev): -20.1151 -20.1151 -20.1142 -20.1142 -6.4452 -6.4452 -5.7052 -5.7052 -4.7766 -4.7766 -4.6972 -4.6972 -3.9948 -3.9948 -3.9158 -3.9158 -3.8564 -3.8564 -3.8249 -3.8249 1.7852 1.7852 2.1125 2.1125 2.8813 2.8813 3.2957 3.2957 3.7863 3.7863 4.8559 4.8559 5.4474 5.4474 5.6734 5.6734 5.8128 5.8128 6.4209 6.4209 8.3655 8.3655 10.6408 10.6408 10.8847 10.8847 11.1290 11.1290 k = 0.3954 0.5444 0.3275 ( 4244 PWs) bands (ev): -20.1169 -20.1169 -20.1165 -20.1165 -6.4731 -6.4731 -5.7119 -5.7119 -4.7636 -4.7636 -4.6891 -4.6891 -3.9790 -3.9790 -3.9020 -3.9020 -3.8539 -3.8539 -3.8251 -3.8251 1.7376 1.7376 2.0867 2.0867 2.9842 2.9842 3.3158 3.3158 3.7652 3.7652 4.8331 4.8331 5.4705 5.4705 5.6419 5.6419 5.8553 5.8553 6.4633 6.4633 8.3771 8.3771 10.7134 10.7134 10.9374 10.9374 11.1400 11.1400 k = 0.4012 0.5375 0.3093 ( 4244 PWs) bands (ev): -20.1187 -20.1187 -20.1186 -20.1186 -6.5003 -6.5003 -5.7184 -5.7184 -4.7512 -4.7512 -4.6814 -4.6814 -3.9633 -3.9633 -3.8883 -3.8883 -3.8511 -3.8511 -3.8254 -3.8254 1.6916 1.6916 2.0615 2.0615 3.0858 3.0858 3.3379 3.3379 3.7478 3.7478 4.8087 4.8087 5.4801 5.4801 5.6195 5.6195 5.8943 5.8943 6.5041 6.5041 8.4000 8.4000 10.7746 10.7746 10.9775 10.9775 11.1510 11.1510 k = 0.4070 0.5306 0.2911 ( 4254 PWs) bands (ev): -20.1207 -20.1207 -20.1204 -20.1204 -6.5264 -6.5264 -5.7246 -5.7246 -4.7394 -4.7394 -4.6742 -4.6742 -3.9480 -3.9480 -3.8750 -3.8750 -3.8477 -3.8477 -3.8255 -3.8255 1.6474 1.6474 2.0375 2.0375 3.1804 3.1804 3.3651 3.3651 3.7356 3.7356 4.7831 4.7831 5.4752 5.4752 5.6085 5.6085 5.9286 5.9286 6.5431 6.5431 8.4341 8.4341 10.8181 10.8181 11.0015 11.0015 11.1619 11.1619 k = 0.4128 0.5236 0.2730 ( 4242 PWs) bands (ev): -20.1227 -20.1227 -20.1221 -20.1221 -6.5515 -6.5515 -5.7306 -5.7306 -4.7282 -4.7282 -4.6675 -4.6675 -3.9331 -3.9331 -3.8628 -3.8628 -3.8433 -3.8433 -3.8251 -3.8251 1.6052 1.6052 2.0151 2.0151 3.2578 3.2578 3.4039 3.4039 3.7312 3.7312 4.7563 4.7563 5.4593 5.4593 5.6057 5.6057 5.9576 5.9576 6.5801 6.5801 8.4793 8.4793 10.8377 10.8377 11.0068 11.0068 11.1724 11.1724 k = 0.4186 0.5167 0.2548 ( 4250 PWs) bands (ev): -20.1247 -20.1247 -20.1237 -20.1237 -6.5753 -6.5753 -5.7363 -5.7363 -4.7176 -4.7176 -4.6613 -4.6613 -3.9189 -3.9189 -3.8532 -3.8532 -3.8374 -3.8374 -3.8233 -3.8233 1.5651 1.5651 1.9942 1.9942 3.3076 3.3076 3.4587 3.4587 3.7401 3.7401 4.7287 4.7287 5.4383 5.4383 5.6057 5.6057 5.9811 5.9811 6.6151 6.6151 8.5352 8.5352 10.8322 10.8322 10.9931 10.9931 11.1826 11.1826 k = 0.4244 0.5098 0.2366 ( 4252 PWs) bands (ev): -20.1266 -20.1266 -20.1253 -20.1253 -6.5980 -6.5980 -5.7417 -5.7417 -4.7078 -4.7078 -4.6556 -4.6556 -3.9058 -3.9058 -3.8472 -3.8472 -3.8313 -3.8313 -3.8179 -3.8179 1.5272 1.5272 1.9751 1.9751 3.3353 3.3353 3.5147 3.5147 3.7706 3.7706 4.7006 4.7006 5.4161 5.4161 5.6048 5.6048 5.9995 5.9995 6.6479 6.6479 8.6007 8.6007 10.8062 10.8062 10.9625 10.9625 11.1924 11.1924 k = 0.4302 0.5029 0.2184 ( 4256 PWs) bands (ev): -20.1283 -20.1283 -20.1268 -20.1268 -6.6192 -6.6192 -5.7468 -5.7468 -4.6988 -4.6988 -4.6504 -4.6504 -3.8941 -3.8941 -3.8438 -3.8438 -3.8264 -3.8264 -3.8081 -3.8081 1.4918 1.4918 1.9577 1.9577 3.3516 3.3516 3.5544 3.5544 3.8288 3.8288 4.6724 4.6724 5.3945 5.3945 5.6015 5.6015 6.0132 6.0132 6.6784 6.6784 8.6747 8.6747 10.7674 10.7674 10.9192 10.9192 11.2019 11.2019 k = 0.4360 0.4959 0.2002 ( 4250 PWs) bands (ev): -20.1300 -20.1300 -20.1282 -20.1282 -6.6391 -6.6391 -5.7515 -5.7515 -4.6905 -4.6905 -4.6457 -4.6457 -3.8839 -3.8839 -3.8421 -3.8421 -3.8212 -3.8212 -3.7964 -3.7964 1.4588 1.4588 1.9419 1.9419 3.3614 3.3614 3.5777 3.5777 3.9090 3.9090 4.6443 4.6443 5.3744 5.3744 5.5949 5.5949 6.0227 6.0227 6.7066 6.7066 8.7559 8.7559 10.7221 10.7221 10.8674 10.8674 11.2108 11.2108 k = 0.4419 0.4890 0.1820 ( 4258 PWs) bands (ev): -20.1315 -20.1315 -20.1295 -20.1295 -6.6574 -6.6574 -5.7559 -5.7559 -4.6829 -4.6829 -4.6414 -4.6414 -3.8755 -3.8755 -3.8416 -3.8416 -3.8148 -3.8148 -3.7846 -3.7846 1.4284 1.4284 1.9277 1.9277 3.3670 3.3670 3.5923 3.5923 4.0003 4.0003 4.6169 4.6169 5.3560 5.3560 5.5848 5.5848 6.0289 6.0289 6.7325 6.7325 8.8426 8.8426 10.6746 10.6746 10.8107 10.8107 11.2189 11.2189 k = 0.4477 0.4821 0.1638 ( 4262 PWs) bands (ev): -20.1329 -20.1329 -20.1307 -20.1307 -6.6742 -6.6742 -5.7599 -5.7599 -4.6762 -4.6762 -4.6375 -4.6375 -3.8688 -3.8688 -3.8417 -3.8417 -3.8073 -3.8073 -3.7732 -3.7732 1.4006 1.4006 1.9150 1.9150 3.3695 3.3695 3.6037 3.6037 4.0953 4.0953 4.5906 4.5906 5.3394 5.3394 5.5713 5.5713 6.0324 6.0324 6.7558 6.7558 8.9330 8.9330 10.6278 10.6278 10.7522 10.7522 11.2243 11.2243 k = 0.4535 0.4752 0.1456 ( 4270 PWs) bands (ev): -20.1342 -20.1342 -20.1318 -20.1318 -6.6893 -6.6893 -5.7636 -5.7636 -4.6702 -4.6702 -4.6341 -4.6341 -3.8635 -3.8635 -3.8421 -3.8421 -3.7994 -3.7994 -3.7624 -3.7624 1.3756 1.3756 1.9039 1.9039 3.3696 3.3696 3.6141 3.6141 4.1896 4.1896 4.5660 4.5660 5.3248 5.3248 5.5543 5.5543 6.0339 6.0339 6.7767 6.7767 9.0251 9.0251 10.5833 10.5833 10.6942 10.6942 11.1917 11.1917 k = 0.4593 0.4682 0.1274 ( 4262 PWs) bands (ev): -20.1354 -20.1354 -20.1327 -20.1327 -6.7028 -6.7028 -5.7668 -5.7668 -4.6650 -4.6650 -4.6311 -4.6311 -3.8593 -3.8593 -3.8426 -3.8426 -3.7914 -3.7914 -3.7525 -3.7525 1.3534 1.3534 1.8942 1.8942 3.3682 3.3682 3.6240 3.6240 4.2803 4.2803 4.5438 4.5438 5.3121 5.3121 5.5345 5.5345 6.0339 6.0339 6.7952 6.7952 9.1165 9.1165 10.5423 10.5423 10.6388 10.6388 11.1497 11.1497 k = 0.4651 0.4613 0.1092 ( 4256 PWs) bands (ev): -20.1364 -20.1364 -20.1336 -20.1336 -6.7146 -6.7146 -5.7697 -5.7697 -4.6606 -4.6606 -4.6285 -4.6285 -3.8560 -3.8560 -3.8433 -3.8433 -3.7839 -3.7839 -3.7437 -3.7437 1.3340 1.3340 1.8859 1.8859 3.3660 3.3660 3.6337 3.6337 4.3641 4.3641 4.5256 4.5256 5.3012 5.3012 5.5123 5.5123 6.0330 6.0330 6.8111 6.8111 9.2049 9.2049 10.5056 10.5056 10.5877 10.5877 11.1124 11.1124 k = 0.4709 0.4544 0.0910 ( 4256 PWs) bands (ev): -20.1372 -20.1372 -20.1343 -20.1343 -6.7246 -6.7246 -5.7721 -5.7721 -4.6568 -4.6568 -4.6263 -4.6263 -3.8534 -3.8534 -3.8438 -3.8438 -3.7771 -3.7771 -3.7360 -3.7360 1.3175 1.3175 1.8789 1.8789 3.3633 3.3633 3.6426 3.6426 4.4328 4.4328 4.5180 4.5180 5.2921 5.2921 5.4886 5.4886 6.0316 6.0316 6.8246 6.8246 9.2875 9.2875 10.4739 10.4739 10.5421 10.5421 11.0803 11.0803 k = 0.4767 0.4475 0.0728 ( 4252 PWs) bands (ev): -20.1379 -20.1379 -20.1349 -20.1349 -6.7328 -6.7328 -5.7741 -5.7741 -4.6538 -4.6538 -4.6245 -4.6245 -3.8514 -3.8514 -3.8444 -3.8444 -3.7712 -3.7712 -3.7296 -3.7296 1.3040 1.3040 1.8733 1.8733 3.3607 3.3607 3.6506 3.6506 4.4610 4.4610 4.5448 4.5448 5.2847 5.2847 5.4646 5.4646 6.0300 6.0300 6.8355 6.8355 9.3612 9.3612 10.4474 10.4474 10.5034 10.5034 11.0537 11.0537 k = 0.4826 0.4405 0.0546 ( 4256 PWs) bands (ev): -20.1385 -20.1385 -20.1354 -20.1354 -6.7393 -6.7393 -5.7757 -5.7757 -4.6515 -4.6515 -4.6231 -4.6231 -3.8498 -3.8498 -3.8449 -3.8449 -3.7665 -3.7665 -3.7245 -3.7245 1.2934 1.2934 1.8690 1.8690 3.3583 3.3583 3.6573 3.6573 4.4583 4.4583 4.5945 4.5945 5.2790 5.2790 5.4422 5.4422 6.0285 6.0285 6.8440 6.8440 9.4230 9.4230 10.4266 10.4266 10.4723 10.4723 11.0329 11.0329 k = 0.4884 0.4336 0.0364 ( 4272 PWs) bands (ev): -20.1389 -20.1389 -20.1357 -20.1357 -6.7439 -6.7439 -5.7768 -5.7768 -4.6499 -4.6499 -4.6221 -4.6221 -3.8486 -3.8486 -3.8454 -3.8454 -3.7631 -3.7631 -3.7208 -3.7208 1.2859 1.2859 1.8659 1.8659 3.3565 3.3565 3.6623 3.6623 4.4518 4.4518 4.6373 4.6373 5.2750 5.2750 5.4234 5.4234 6.0273 6.0273 6.8501 6.8501 9.4698 9.4698 10.4116 10.4116 10.4497 10.4497 11.0179 11.0179 k = 0.4942 0.4267 0.0182 ( 4270 PWs) bands (ev): -20.1391 -20.1391 -20.1360 -20.1360 -6.7467 -6.7467 -5.7774 -5.7774 -4.6489 -4.6489 -4.6214 -4.6214 -3.8478 -3.8478 -3.8458 -3.8458 -3.7610 -3.7610 -3.7186 -3.7186 1.2813 1.2813 1.8641 1.8641 3.3554 3.3554 3.6654 3.6654 4.4471 4.4471 4.6652 4.6652 5.2726 5.2726 5.4108 5.4108 6.0265 6.0265 6.8537 6.8537 9.4991 9.4991 10.4026 10.4026 10.4359 10.4359 11.0089 11.0089 k = 0.5000 0.4198-0.0000 ( 4274 PWs) bands (ev): -20.1392 -20.1392 -20.1360 -20.1360 -6.7476 -6.7476 -5.7777 -5.7777 -4.6486 -4.6486 -4.6212 -4.6212 -3.8475 -3.8475 -3.8459 -3.8459 -3.7602 -3.7602 -3.7179 -3.7179 1.2798 1.2798 1.8635 1.8635 3.3550 3.3550 3.6664 3.6664 4.4455 4.4455 4.6749 4.6749 5.2718 5.2718 5.4063 5.4063 6.0262 6.0262 6.8549 6.8549 9.5090 9.5090 10.3996 10.3996 10.4313 10.4313 11.0059 11.0059 k = 0.5000 0.4198-0.0000 ( 4274 PWs) bands (ev): -20.1392 -20.1392 -20.1360 -20.1360 -6.7476 -6.7476 -5.7777 -5.7777 -4.6486 -4.6486 -4.6212 -4.6212 -3.8475 -3.8475 -3.8459 -3.8459 -3.7602 -3.7602 -3.7179 -3.7179 1.2798 1.2798 1.8635 1.8635 3.3550 3.3550 3.6664 3.6664 4.4455 4.4455 4.6749 4.6749 5.2718 5.2718 5.4063 5.4063 6.0262 6.0262 6.8549 6.8549 9.5090 9.5090 10.3996 10.3996 10.4313 10.4313 11.0059 11.0059 k = 0.4844 0.4067-0.0000 ( 4268 PWs) bands (ev): -20.1395 -20.1395 -20.1358 -20.1358 -6.7471 -6.7471 -5.7771 -5.7771 -4.6510 -4.6510 -4.6196 -4.6196 -3.8582 -3.8582 -3.8361 -3.8361 -3.7606 -3.7606 -3.7178 -3.7178 1.2802 1.2802 1.8635 1.8635 3.3552 3.3552 3.6680 3.6680 4.4458 4.4458 4.6749 4.6749 5.2720 5.2720 5.4063 5.4063 6.0265 6.0265 6.8552 6.8552 9.5088 9.5088 10.3927 10.3927 10.4333 10.4333 10.9952 10.9952 k = 0.4688 0.3935-0.0000 ( 4268 PWs) bands (ev): -20.1401 -20.1401 -20.1352 -20.1352 -6.7456 -6.7456 -5.7755 -5.7755 -4.6569 -4.6569 -4.6160 -4.6160 -3.8705 -3.8705 -3.8265 -3.8265 -3.7616 -3.7616 -3.7177 -3.7177 1.2815 1.2815 1.8636 1.8636 3.3558 3.3558 3.6728 3.6728 4.4468 4.4468 4.6751 4.6751 5.2724 5.2724 5.4060 5.4060 6.0273 6.0273 6.8560 6.8560 9.5080 9.5080 10.3752 10.3752 10.4362 10.4362 10.9649 10.9649 k = 0.4531 0.3804-0.0000 ( 4274 PWs) bands (ev): -20.1408 -20.1408 -20.1344 -20.1344 -6.7432 -6.7432 -5.7729 -5.7729 -4.6649 -4.6649 -4.6118 -4.6118 -3.8834 -3.8834 -3.8179 -3.8179 -3.7633 -3.7633 -3.7174 -3.7174 1.2836 1.2836 1.8637 1.8637 3.3568 3.3568 3.6806 3.6806 4.4485 4.4485 4.6755 4.6755 5.2732 5.2732 5.4057 5.4057 6.0287 6.0287 6.8574 6.8574 9.5066 9.5066 10.3497 10.3497 10.4374 10.4374 10.9194 10.9194 k = 0.4375 0.3673-0.0000 ( 4270 PWs) bands (ev): -20.1416 -20.1416 -20.1336 -20.1336 -6.7397 -6.7397 -5.7692 -5.7692 -4.6741 -4.6741 -4.6078 -4.6078 -3.8971 -3.8971 -3.8104 -3.8104 -3.7656 -3.7656 -3.7172 -3.7172 1.2866 1.2866 1.8639 1.8639 3.3582 3.3582 3.6915 3.6915 4.4508 4.4508 4.6759 4.6759 5.2742 5.2742 5.4051 5.4051 6.0307 6.0307 6.8592 6.8592 9.5047 9.5047 10.3171 10.3171 10.4361 10.4361 10.8636 10.8636 k = 0.4219 0.3542-0.0000 ( 4266 PWs) bands (ev): -20.1425 -20.1425 -20.1328 -20.1328 -6.7354 -6.7354 -5.7644 -5.7644 -4.6843 -4.6843 -4.6043 -4.6043 -3.9113 -3.9113 -3.8039 -3.8039 -3.7684 -3.7684 -3.7169 -3.7169 1.2903 1.2903 1.8641 1.8641 3.3600 3.3600 3.7054 3.7054 4.4537 4.4537 4.6766 4.6766 5.2756 5.2756 5.4044 5.4044 6.0331 6.0331 6.8616 6.8616 9.5023 9.5023 10.2779 10.2779 10.4316 10.4316 10.8024 10.8024 k = 0.4062 0.3411-0.0000 ( 4258 PWs) bands (ev): -20.1434 -20.1434 -20.1319 -20.1319 -6.7301 -6.7301 -5.7587 -5.7587 -4.6952 -4.6952 -4.6014 -4.6014 -3.9261 -3.9261 -3.7986 -3.7986 -3.7716 -3.7716 -3.7167 -3.7167 1.2948 1.2948 1.8644 1.8644 3.3621 3.3621 3.7221 3.7221 4.4572 4.4572 4.6773 4.6773 5.2772 5.2772 5.4036 5.4036 6.0360 6.0360 6.8644 6.8644 9.4995 9.4995 10.2325 10.2325 10.4229 10.4229 10.7403 10.7403 k = 0.3906 0.3279-0.0000 ( 4260 PWs) bands (ev): -20.1442 -20.1442 -20.1311 -20.1311 -6.7240 -6.7240 -5.7519 -5.7519 -4.7067 -4.7067 -4.5993 -4.5993 -3.9413 -3.9413 -3.7943 -3.7943 -3.7753 -3.7753 -3.7166 -3.7166 1.3001 1.3001 1.8648 1.8648 3.3647 3.3647 3.7416 3.7416 4.4612 4.4612 4.6782 4.6782 5.2792 5.2792 5.4026 5.4026 6.0395 6.0395 6.8676 6.8676 9.4962 9.4962 10.1814 10.1814 10.4077 10.4077 10.6818 10.6818 k = 0.3750 0.3148-0.0000 ( 4250 PWs) bands (ev): -20.1451 -20.1451 -20.1303 -20.1303 -6.7171 -6.7171 -5.7442 -5.7442 -4.7187 -4.7187 -4.5979 -4.5979 -3.9568 -3.9568 -3.7912 -3.7912 -3.7793 -3.7793 -3.7167 -3.7167 1.3060 1.3060 1.8652 1.8652 3.3676 3.3676 3.7637 3.7637 4.4658 4.4658 4.6792 4.6792 5.2815 5.2815 5.4014 5.4014 6.0434 6.0434 6.8713 6.8713 9.4924 9.4924 10.1253 10.1253 10.3830 10.3830 10.6316 10.6316 k = 0.3594 0.3017-0.0000 ( 4250 PWs) bands (ev): -20.1459 -20.1459 -20.1294 -20.1294 -6.7095 -6.7095 -5.7355 -5.7355 -4.7312 -4.7312 -4.5972 -4.5972 -3.9727 -3.9727 -3.7895 -3.7895 -3.7832 -3.7832 -3.7169 -3.7169 1.3126 1.3126 1.8657 1.8657 3.3709 3.3709 3.7883 3.7883 4.4707 4.4707 4.6804 4.6804 5.2842 5.2842 5.4001 5.4001 6.0477 6.0477 6.8752 6.8752 9.4883 9.4883 10.0649 10.0649 10.3461 10.3461 10.5935 10.5935 k = 0.3438 0.2886-0.0000 ( 4258 PWs) bands (ev): -20.1468 -20.1468 -20.1286 -20.1286 -6.7012 -6.7012 -5.7260 -5.7260 -4.7439 -4.7439 -4.5974 -4.5974 -3.9888 -3.9888 -3.7903 -3.7903 -3.7857 -3.7857 -3.7174 -3.7174 1.3197 1.3197 1.8663 1.8663 3.3744 3.3744 3.8152 3.8152 4.4760 4.4760 4.6817 4.6817 5.2871 5.2871 5.3987 5.3987 6.0524 6.0524 6.8794 6.8794 9.4838 9.4838 10.0009 10.0009 10.2976 10.2976 10.5680 10.5680 k = 0.3281 0.2755-0.0000 ( 4258 PWs) bands (ev): -20.1476 -20.1476 -20.1278 -20.1278 -6.6922 -6.6922 -5.7156 -5.7156 -4.7569 -4.7569 -4.5982 -4.5982 -4.0050 -4.0050 -3.7942 -3.7942 -3.7863 -3.7863 -3.7180 -3.7180 1.3274 1.3274 1.8670 1.8670 3.3783 3.3783 3.8443 3.8443 4.4816 4.4816 4.6831 4.6831 5.2903 5.2903 5.3971 5.3971 6.0575 6.0575 6.8839 6.8839 9.4790 9.4790 9.9343 9.9343 10.2408 10.2408 10.5520 10.5520 k = 0.3125 0.2624-0.0000 ( 4261 PWs) bands (ev): -20.1484 -20.1484 -20.1271 -20.1271 -6.6828 -6.6828 -5.7044 -5.7044 -4.7700 -4.7700 -4.5999 -4.5999 -4.0213 -4.0213 -3.7990 -3.7990 -3.7872 -3.7872 -3.7189 -3.7189 1.3354 1.3354 1.8678 1.8678 3.3824 3.3824 3.8753 3.8753 4.4874 4.4874 4.6846 4.6846 5.2938 5.2938 5.3954 5.3954 6.0628 6.0628 6.8885 6.8885 9.4739 9.4739 9.8657 9.8657 10.1791 10.1791 10.5424 10.5424 k = 0.2969 0.2492-0.0000 ( 4261 PWs) bands (ev): -20.1492 -20.1492 -20.1263 -20.1263 -6.6728 -6.6728 -5.6925 -5.6925 -4.7832 -4.7832 -4.6022 -4.6022 -4.0376 -4.0376 -3.8040 -3.8040 -3.7887 -3.7887 -3.7200 -3.7200 1.3439 1.3439 1.8686 1.8686 3.3867 3.3867 3.9082 3.9082 4.4933 4.4933 4.6863 4.6863 5.2976 5.2976 5.3936 5.3936 6.0685 6.0685 6.8933 6.8933 9.4685 9.4685 9.7961 9.7961 10.1152 10.1152 10.5367 10.5367 k = 0.2812 0.2361-0.0000 ( 4259 PWs) bands (ev): -20.1500 -20.1500 -20.1256 -20.1256 -6.6626 -6.6626 -5.6799 -5.6799 -4.7963 -4.7963 -4.6053 -4.6053 -4.0538 -4.0538 -3.8092 -3.8092 -3.7908 -3.7908 -3.7212 -3.7212 1.3525 1.3525 1.8695 1.8695 3.3912 3.3912 3.9426 3.9426 4.4993 4.4993 4.6880 4.6880 5.3016 5.3016 5.3917 5.3917 6.0743 6.0743 6.8981 6.8981 9.4628 9.4628 9.7264 9.7264 10.0505 10.0505 10.5333 10.5333 k = 0.2656 0.2230-0.0000 ( 4259 PWs) bands (ev): -20.1508 -20.1508 -20.1249 -20.1249 -6.6520 -6.6520 -5.6667 -5.6667 -4.8093 -4.8093 -4.6091 -4.6091 -4.0699 -4.0699 -3.8144 -3.8144 -3.7936 -3.7936 -3.7226 -3.7226 1.3614 1.3614 1.8705 1.8705 3.3958 3.3958 3.9783 3.9783 4.5053 4.5053 4.6897 4.6897 5.3057 5.3057 5.3898 5.3898 6.0803 6.0803 6.9029 6.9029 9.4567 9.4567 9.6575 9.6575 9.9860 9.9860 10.5315 10.5315 k = 0.2500 0.2099-0.0000 ( 4259 PWs) bands (ev): -20.1515 -20.1515 -20.1242 -20.1242 -6.6413 -6.6413 -5.6530 -5.6530 -4.8221 -4.8221 -4.6135 -4.6135 -4.0856 -4.0856 -3.8199 -3.8199 -3.7970 -3.7970 -3.7240 -3.7240 1.3703 1.3703 1.8716 1.8716 3.4004 3.4004 4.0152 4.0152 4.5112 4.5112 4.6914 4.6914 5.3100 5.3100 5.3879 5.3879 6.0865 6.0865 6.9077 6.9077 9.4498 9.4498 9.5903 9.5903 9.9221 9.9221 10.5306 10.5306 k = 0.2344 0.1968-0.0000 ( 4259 PWs) bands (ev): -20.1522 -20.1522 -20.1236 -20.1236 -6.6305 -6.6305 -5.6388 -5.6388 -4.8347 -4.8347 -4.6186 -4.6186 -4.1010 -4.1010 -3.8254 -3.8254 -3.8007 -3.8007 -3.7254 -3.7254 1.3792 1.3792 1.8727 1.8727 3.4051 3.4051 4.0530 4.0530 4.5168 4.5168 4.6931 4.6931 5.3143 5.3143 5.3859 5.3859 6.0927 6.0927 6.9124 6.9124 9.4408 9.4408 9.5271 9.5271 9.8592 9.8592 10.5304 10.5304 k = 0.2188 0.1836-0.0000 ( 4259 PWs) bands (ev): -20.1528 -20.1528 -20.1230 -20.1230 -6.6198 -6.6198 -5.6243 -5.6243 -4.8469 -4.8469 -4.6241 -4.6241 -4.1159 -4.1159 -3.8311 -3.8311 -3.8046 -3.8046 -3.7268 -3.7268 1.3879 1.3879 1.8739 1.8739 3.4098 3.4098 4.0914 4.0914 4.5223 4.5223 4.6947 4.6947 5.3185 5.3185 5.3840 5.3840 6.0989 6.0989 6.9169 6.9169 9.4230 9.4230 9.4751 9.4751 9.7977 9.7977 10.5306 10.5306 k = 0.2031 0.1705-0.0000 ( 4271 PWs) bands (ev): -20.1535 -20.1535 -20.1224 -20.1224 -6.6092 -6.6092 -5.6096 -5.6096 -4.8587 -4.8587 -4.6302 -4.6302 -4.1303 -4.1303 -3.8370 -3.8370 -3.8086 -3.8086 -3.7282 -3.7282 1.3965 1.3965 1.8752 1.8752 3.4144 3.4144 4.1301 4.1301 4.5274 4.5274 4.6961 4.6961 5.3226 5.3226 5.3822 5.3822 6.1050 6.1050 6.9212 6.9212 9.3812 9.3812 9.4499 9.4499 9.7378 9.7378 10.5311 10.5311 k = 0.1875 0.1574-0.0000 ( 4273 PWs) bands (ev): -20.1540 -20.1540 -20.1218 -20.1218 -6.5989 -6.5989 -5.5949 -5.5949 -4.8700 -4.8700 -4.6366 -4.6366 -4.1440 -4.1440 -3.8430 -3.8430 -3.8126 -3.8126 -3.7295 -3.7295 1.4048 1.4048 1.8765 1.8765 3.4188 3.4188 4.1689 4.1689 4.5321 4.5321 4.6973 4.6973 5.3266 5.3266 5.3805 5.3805 6.1110 6.1110 6.9253 6.9253 9.3282 9.3282 9.4394 9.4394 9.6798 9.6798 10.5316 10.5316 k = 0.1719 0.1443-0.0000 ( 4281 PWs) bands (ev): -20.1546 -20.1546 -20.1213 -20.1213 -6.5889 -6.5889 -5.5802 -5.5802 -4.8809 -4.8809 -4.6433 -4.6433 -4.1570 -4.1570 -3.8492 -3.8492 -3.8164 -3.8164 -3.7307 -3.7307 1.4126 1.4126 1.8778 1.8778 3.4231 3.4231 4.2074 4.2074 4.5364 4.5364 4.6981 4.6981 5.3302 5.3302 5.3789 5.3789 6.1169 6.1169 6.9291 6.9291 9.2756 9.2756 9.4322 9.4322 9.6243 9.6243 10.5322 10.5322 k = 0.1562 0.1312-0.0000 ( 4273 PWs) bands (ev): -20.1551 -20.1551 -20.1208 -20.1208 -6.5794 -6.5794 -5.5657 -5.5657 -4.8912 -4.8912 -4.6502 -4.6502 -4.1691 -4.1691 -3.8555 -3.8555 -3.8198 -3.8198 -3.7318 -3.7318 1.4201 1.4201 1.8791 1.8791 3.4272 3.4272 4.2454 4.2454 4.5402 4.5402 4.6986 4.6986 5.3335 5.3335 5.3775 5.3775 6.1225 6.1225 6.9326 6.9326 9.2263 9.2263 9.4258 9.4258 9.5717 9.5717 10.5327 10.5327 k = 0.1406 0.1181-0.0000 ( 4279 PWs) bands (ev): -20.1556 -20.1556 -20.1204 -20.1204 -6.5704 -6.5704 -5.5517 -5.5517 -4.9008 -4.9008 -4.6570 -4.6570 -4.1803 -4.1803 -3.8617 -3.8617 -3.8230 -3.8230 -3.7328 -3.7328 1.4270 1.4270 1.8803 1.8803 3.4310 3.4310 4.2824 4.2824 4.5434 4.5434 4.6986 4.6986 5.3365 5.3365 5.3763 5.3763 6.1278 6.1278 6.9357 6.9357 9.1809 9.1809 9.4193 9.4193 9.5228 9.5228 10.5331 10.5331 k = 0.1250 0.1049-0.0000 ( 4283 PWs) bands (ev): -20.1560 -20.1560 -20.1200 -20.1200 -6.5622 -6.5622 -5.5382 -5.5382 -4.9098 -4.9098 -4.6637 -4.6637 -4.1906 -4.1906 -3.8677 -3.8677 -3.8258 -3.8258 -3.7337 -3.7337 1.4333 1.4333 1.8815 1.8815 3.4345 3.4345 4.3182 4.3182 4.5459 4.5459 4.6981 4.6981 5.3390 5.3390 5.3751 5.3751 6.1327 6.1327 6.9386 6.9386 9.1401 9.1401 9.4112 9.4112 9.4794 9.4794 10.5334 10.5334 k = 0.1094 0.0918-0.0000 ( 4271 PWs) bands (ev): -20.1564 -20.1564 -20.1197 -20.1197 -6.5546 -6.5546 -5.5256 -5.5256 -4.9181 -4.9181 -4.6701 -4.6701 -4.1998 -4.1998 -3.8735 -3.8735 -3.8283 -3.8283 -3.7345 -3.7345 1.4390 1.4390 1.8827 1.8827 3.4377 3.4377 4.3523 4.3523 4.5476 4.5476 4.6971 4.6971 5.3412 5.3412 5.3741 5.3741 6.1372 6.1372 6.9411 6.9411 9.1040 9.1040 9.3973 9.3973 9.4462 9.4462 10.5337 10.5337 k = 0.0938 0.0787-0.0000 ( 4269 PWs) bands (ev): -20.1567 -20.1567 -20.1194 -20.1194 -6.5479 -6.5479 -5.5140 -5.5140 -4.9255 -4.9255 -4.6760 -4.6760 -4.2079 -4.2079 -3.8788 -3.8788 -3.8304 -3.8304 -3.7353 -3.7353 1.4440 1.4440 1.8837 1.8837 3.4406 3.4406 4.3844 4.3844 4.5484 4.5484 4.6956 4.6956 5.3430 5.3430 5.3732 5.3732 6.1413 6.1413 6.9432 6.9432 9.0728 9.0728 9.3727 9.3727 9.4282 9.4282 10.5338 10.5338 k = 0.0781 0.0656-0.0000 ( 4263 PWs) bands (ev): -20.1570 -20.1570 -20.1191 -20.1191 -6.5421 -6.5421 -5.5037 -5.5037 -4.9320 -4.9320 -4.6813 -4.6813 -4.2148 -4.2148 -3.8835 -3.8835 -3.8321 -3.8321 -3.7359 -3.7359 1.4483 1.4483 1.8847 1.8847 3.4430 3.4430 4.4142 4.4142 4.5481 4.5481 4.6936 4.6936 5.3445 5.3445 5.3723 5.3723 6.1448 6.1448 6.9450 6.9450 9.0465 9.0465 9.3437 9.3437 9.4201 9.4201 10.5339 10.5339 k = 0.0625 0.0525-0.0000 ( 4267 PWs) bands (ev): -20.1572 -20.1572 -20.1189 -20.1189 -6.5372 -6.5372 -5.4948 -5.4948 -4.9376 -4.9376 -4.6858 -4.6858 -4.2205 -4.2205 -3.8875 -3.8875 -3.8335 -3.8335 -3.7364 -3.7364 1.4519 1.4519 1.8855 1.8855 3.4450 3.4450 4.4413 4.4413 4.5464 4.5464 4.6914 4.6914 5.3457 5.3457 5.3714 5.3714 6.1477 6.1477 6.9465 6.9465 9.0252 9.0252 9.3169 9.3169 9.4156 9.4156 10.5339 10.5339 k = 0.0469 0.0394-0.0000 ( 4269 PWs) bands (ev): -20.1574 -20.1574 -20.1187 -20.1187 -6.5334 -6.5334 -5.4877 -5.4877 -4.9420 -4.9420 -4.6895 -4.6895 -4.2250 -4.2250 -3.8907 -3.8907 -3.8346 -3.8346 -3.7368 -3.7368 1.4547 1.4547 1.8861 1.8861 3.4466 3.4466 4.4654 4.4654 4.5431 4.5431 4.6891 4.6891 5.3468 5.3468 5.3707 5.3707 6.1501 6.1501 6.9476 6.9476 9.0088 9.0088 9.2948 9.2948 9.4127 9.4127 10.5339 10.5339 k = 0.0312 0.0262-0.0000 ( 4259 PWs) bands (ev): -20.1575 -20.1575 -20.1186 -20.1186 -6.5306 -6.5306 -5.4825 -5.4825 -4.9452 -4.9452 -4.6922 -4.6922 -4.2283 -4.2283 -3.8931 -3.8931 -3.8354 -3.8354 -3.7370 -3.7370 1.4567 1.4567 1.8866 1.8866 3.4478 3.4478 4.4862 4.4862 4.5378 4.5378 4.6871 4.6871 5.3475 5.3475 5.3700 5.3700 6.1518 6.1518 6.9484 6.9484 8.9973 8.9973 9.2784 9.2784 9.4108 9.4108 10.5338 10.5338 k = 0.0156 0.0131-0.0000 ( 4263 PWs) bands (ev): -20.1576 -20.1576 -20.1185 -20.1185 -6.5290 -6.5290 -5.4793 -5.4793 -4.9472 -4.9472 -4.6938 -4.6938 -4.2302 -4.2302 -3.8945 -3.8945 -3.8359 -3.8359 -3.7372 -3.7372 1.4579 1.4579 1.8868 1.8868 3.4485 3.4485 4.5034 4.5034 4.5301 4.5301 4.6857 4.6857 5.3480 5.3480 5.3696 5.3696 6.1528 6.1528 6.9489 6.9489 8.9904 8.9904 9.2683 9.2683 9.4097 9.4097 10.5338 10.5338 k = 0.0000 0.0000 0.0000 ( 4251 PWs) bands (ev): -20.1576 -20.1576 -20.1185 -20.1185 -6.5284 -6.5284 -5.4782 -5.4782 -4.9479 -4.9479 -4.6944 -4.6944 -4.2309 -4.2309 -3.8950 -3.8950 -3.8360 -3.8360 -3.7373 -3.7373 1.4583 1.4583 1.8869 1.8869 3.4487 3.4487 4.5139 4.5139 4.5229 4.5229 4.6852 4.6852 5.3482 5.3482 5.3695 5.3695 6.1531 6.1531 6.9491 6.9491 8.9881 8.9881 9.2650 9.2650 9.4094 9.4094 10.5338 10.5338 k = 0.0000 0.0000 0.0000 ( 4251 PWs) bands (ev): -20.1576 -20.1576 -20.1185 -20.1185 -6.5284 -6.5284 -5.4782 -5.4782 -4.9479 -4.9479 -4.6944 -4.6944 -4.2309 -4.2309 -3.8950 -3.8950 -3.8360 -3.8360 -3.7373 -3.7373 1.4583 1.4583 1.8869 1.8869 3.4487 3.4487 4.5139 4.5139 4.5229 4.5229 4.6852 4.6852 5.3482 5.3482 5.3695 5.3695 6.1531 6.1531 6.9491 6.9491 8.9881 8.9881 9.2650 9.2650 9.4094 9.4094 10.5338 10.5338 k = 0.0119-0.0141 0.0092 ( 4253 PWs) bands (ev): -20.1576 -20.1576 -20.1186 -20.1186 -6.5287 -6.5287 -5.4790 -5.4790 -4.9469 -4.9469 -4.6945 -4.6945 -4.2301 -4.2301 -3.8951 -3.8951 -3.8358 -3.8358 -3.7375 -3.7375 1.4590 1.4590 1.8872 1.8872 3.4481 3.4481 4.5135 4.5135 4.5229 4.5229 4.6855 4.6855 5.3480 5.3480 5.3696 5.3696 6.1478 6.1478 6.9473 6.9473 8.9934 8.9934 9.2688 9.2688 9.4093 9.4093 10.5345 10.5345 k = 0.0237-0.0282 0.0183 ( 4251 PWs) bands (ev): -20.1575 -20.1575 -20.1186 -20.1186 -6.5295 -6.5295 -5.4816 -5.4816 -4.9441 -4.9441 -4.6949 -4.6949 -4.2276 -4.2276 -3.8955 -3.8955 -3.8353 -3.8353 -3.7381 -3.7381 1.4609 1.4609 1.8879 1.8879 3.4464 3.4464 4.5125 4.5125 4.5228 4.5228 4.6866 4.6866 5.3472 5.3472 5.3700 5.3700 6.1322 6.1322 6.9421 6.9421 9.0092 9.0092 9.2801 9.2801 9.4090 9.4090 10.5367 10.5367 k = 0.0356-0.0424 0.0275 ( 4261 PWs) bands (ev): -20.1574 -20.1574 -20.1188 -20.1188 -6.5308 -6.5308 -5.4858 -5.4858 -4.9394 -4.9394 -4.6956 -4.6956 -4.2234 -4.2234 -3.8961 -3.8961 -3.8344 -3.8344 -3.7390 -3.7390 1.4640 1.4640 1.8891 1.8891 3.4434 3.4434 4.5109 4.5109 4.5227 4.5227 4.6883 4.6883 5.3459 5.3459 5.3706 5.3706 6.1070 6.1070 6.9336 6.9336 9.0347 9.0347 9.2988 9.2988 9.4085 9.4085 10.5406 10.5406 k = 0.0474-0.0565 0.0367 ( 4261 PWs) bands (ev): -20.1571 -20.1571 -20.1190 -20.1190 -6.5326 -6.5326 -5.4915 -5.4915 -4.9331 -4.9331 -4.6966 -4.6966 -4.2177 -4.2177 -3.8970 -3.8970 -3.8331 -3.8331 -3.7404 -3.7404 1.4682 1.4682 1.8907 1.8907 3.4393 3.4393 4.5087 4.5087 4.5223 4.5223 4.6907 4.6907 5.3438 5.3438 5.3715 5.3715 6.0733 6.0733 6.9220 6.9220 9.0689 9.0689 9.3244 9.3244 9.4079 9.4079 10.5465 10.5465 k = 0.0593-0.0706 0.0458 ( 4269 PWs) bands (ev): -20.1569 -20.1569 -20.1192 -20.1192 -6.5350 -6.5350 -5.4985 -5.4985 -4.9254 -4.9254 -4.6977 -4.6977 -4.2105 -4.2105 -3.8982 -3.8982 -3.8315 -3.8315 -3.7420 -3.7420 1.4734 1.4734 1.8928 1.8928 3.4342 3.4342 4.5058 4.5058 4.5216 4.5216 4.6939 4.6939 5.3408 5.3408 5.3726 5.3726 6.0327 6.0327 6.9075 6.9075 9.1105 9.1105 9.3566 9.3566 9.4075 9.4075 10.5547 10.5547 k = 0.0711-0.0847 0.0550 ( 4271 PWs) bands (ev): -20.1566 -20.1566 -20.1195 -20.1195 -6.5380 -6.5380 -5.5065 -5.5065 -4.9163 -4.9163 -4.6991 -4.6991 -4.2019 -4.2019 -3.8995 -3.8995 -3.8296 -3.8296 -3.7439 -3.7439 1.4794 1.4794 1.8953 1.8953 3.4281 3.4281 4.5022 4.5022 4.5206 4.5206 4.6978 4.6978 5.3366 5.3366 5.3739 5.3739 5.9868 5.9868 6.8907 6.8907 9.1579 9.1579 9.3937 9.3937 9.4085 9.4085 10.5656 10.5656 k = 0.0830-0.0989 0.0641 ( 4271 PWs) bands (ev): -20.1562 -20.1562 -20.1199 -20.1199 -6.5414 -6.5414 -5.5153 -5.5153 -4.9062 -4.9062 -4.7007 -4.7007 -4.1919 -4.1919 -3.9010 -3.9010 -3.8273 -3.8273 -3.7460 -3.7460 1.4861 1.4861 1.8982 1.8982 3.4212 3.4212 4.4978 4.4978 4.5193 4.5193 4.7025 4.7025 5.3308 5.3308 5.3754 5.3754 5.9375 5.9375 6.8718 6.8718 9.2093 9.2093 9.4062 9.4062 9.4404 9.4404 10.5796 10.5796 k = 0.0949-0.1130 0.0733 ( 4265 PWs) bands (ev): -20.1558 -20.1558 -20.1203 -20.1203 -6.5455 -6.5455 -5.5248 -5.5248 -4.8953 -4.8953 -4.7024 -4.7024 -4.1806 -4.1806 -3.9028 -3.9028 -3.8247 -3.8247 -3.7483 -3.7483 1.4932 1.4932 1.9015 1.9015 3.4134 3.4134 4.4925 4.4925 4.5177 4.5177 4.7080 4.7080 5.3229 5.3229 5.3770 5.3770 5.8867 5.8867 6.8516 6.8516 9.2622 9.2622 9.4085 9.4085 9.4890 9.4890 10.5969 10.5969 k = 0.1067-0.1271 0.0825 ( 4273 PWs) bands (ev): -20.1553 -20.1553 -20.1208 -20.1208 -6.5500 -6.5500 -5.5348 -5.5348 -4.8836 -4.8836 -4.7043 -4.7043 -4.1683 -4.1683 -3.9047 -3.9047 -3.8217 -3.8217 -3.7507 -3.7507 1.5005 1.5005 1.9050 1.9050 3.4050 3.4050 4.4860 4.4860 4.5157 4.5157 4.7144 4.7144 5.3121 5.3121 5.3788 5.3788 5.8364 5.8364 6.8304 6.8304 9.3123 9.3123 9.4155 9.4155 9.5424 9.5424 10.6176 10.6176 k = 0.1186-0.1412 0.0916 ( 4267 PWs) bands (ev): -20.1548 -20.1548 -20.1213 -20.1213 -6.5550 -6.5550 -5.5451 -5.5451 -4.8715 -4.8715 -4.7062 -4.7062 -4.1550 -4.1550 -3.9067 -3.9067 -3.8185 -3.8185 -3.7531 -3.7531 1.5078 1.5078 1.9087 1.9087 3.3960 3.3960 4.4783 4.4783 4.5133 4.5133 4.7217 4.7217 5.2978 5.2978 5.3806 5.3806 5.7885 5.7885 6.8088 6.8088 9.3500 9.3500 9.4359 9.4359 9.5995 9.5995 10.6416 10.6416 k = 0.1304-0.1554 0.1008 ( 4265 PWs) bands (ev): -20.1542 -20.1542 -20.1218 -20.1218 -6.5606 -6.5606 -5.5555 -5.5555 -4.8590 -4.8590 -4.7081 -4.7081 -4.1408 -4.1408 -3.9087 -3.9087 -3.8149 -3.8149 -3.7555 -3.7555 1.5149 1.5149 1.9126 1.9126 3.3866 3.3866 4.4692 4.4692 4.5107 4.5107 4.7299 4.7299 5.2791 5.2791 5.3826 5.3826 5.7450 5.7450 6.7874 6.7874 9.3674 9.3674 9.4768 9.4768 9.6599 9.6599 10.6686 10.6686 k = 0.1423-0.1695 0.1100 ( 4265 PWs) bands (ev): -20.1536 -20.1536 -20.1224 -20.1224 -6.5666 -6.5666 -5.5659 -5.5659 -4.8463 -4.8463 -4.7100 -4.7100 -4.1259 -4.1259 -3.9108 -3.9108 -3.8111 -3.8111 -3.7578 -3.7578 1.5215 1.5215 1.9164 1.9164 3.3769 3.3769 4.4586 4.4586 4.5078 4.5078 4.7391 4.7391 5.2554 5.2554 5.3846 5.3846 5.7073 5.7073 6.7666 6.7666 9.3731 9.3731 9.5291 9.5291 9.7230 9.7230 10.6978 10.6978 k = 0.1542-0.1836 0.1191 ( 4261 PWs) bands (ev): -20.1529 -20.1529 -20.1230 -20.1230 -6.5731 -6.5731 -5.5762 -5.5762 -4.8335 -4.8335 -4.7119 -4.7119 -4.1105 -4.1105 -3.9129 -3.9129 -3.8070 -3.8070 -3.7600 -3.7600 1.5274 1.5274 1.9201 1.9201 3.3670 3.3670 4.4463 4.4463 4.5046 4.5046 4.7493 4.7493 5.2268 5.2268 5.3866 5.3866 5.6765 5.6765 6.7469 6.7469 9.3748 9.3748 9.5848 9.5848 9.7883 9.7883 10.7283 10.7283 k = 0.1660-0.1977 0.1283 ( 4257 PWs) bands (ev): -20.1523 -20.1523 -20.1237 -20.1237 -6.5800 -6.5800 -5.5865 -5.5865 -4.8206 -4.8206 -4.7136 -4.7136 -4.0947 -4.0947 -3.9149 -3.9149 -3.8026 -3.8026 -3.7620 -3.7620 1.5324 1.5324 1.9236 1.9236 3.3570 3.3570 4.4322 4.4322 4.5012 4.5012 4.7606 4.7606 5.1938 5.1938 5.3886 5.3886 5.6528 5.6528 6.7287 6.7287 9.3751 9.3751 9.6411 9.6411 9.8555 9.8555 10.7587 10.7587 k = 0.1779-0.2119 0.1375 ( 4257 PWs) bands (ev): -20.1516 -20.1516 -20.1244 -20.1244 -6.5873 -6.5873 -5.5965 -5.5965 -4.8078 -4.8078 -4.7151 -4.7151 -4.0786 -4.0786 -3.9168 -3.9168 -3.7981 -3.7981 -3.7638 -3.7638 1.5365 1.5365 1.9265 1.9265 3.3471 3.3471 4.4162 4.4162 4.4975 4.4975 4.7728 4.7728 5.1575 5.1575 5.3907 5.3907 5.6356 5.6356 6.7123 6.7123 9.3749 9.3749 9.6971 9.6971 9.9242 9.9242 10.7874 10.7874 k = 0.1897-0.2260 0.1466 ( 4253 PWs) bands (ev): -20.1508 -20.1508 -20.1251 -20.1251 -6.5949 -6.5949 -5.6064 -5.6064 -4.7952 -4.7952 -4.7164 -4.7164 -4.0625 -4.0625 -3.9184 -3.9184 -3.7934 -3.7934 -3.7654 -3.7654 1.5393 1.5393 1.9289 1.9289 3.3373 3.3373 4.3983 4.3983 4.4937 4.4937 4.7861 4.7861 5.1195 5.1195 5.3927 5.3927 5.6242 5.6242 6.6981 6.6981 9.3747 9.3747 9.7526 9.7526 9.9938 9.9938 10.8129 10.8129 k = 0.2016-0.2401 0.1558 ( 4253 PWs) bands (ev): -20.1501 -20.1501 -20.1258 -20.1258 -6.6029 -6.6029 -5.6161 -5.6161 -4.7828 -4.7828 -4.7174 -4.7174 -4.0463 -4.0463 -3.9199 -3.9199 -3.7886 -3.7886 -3.7667 -3.7667 1.5407 1.5407 1.9305 1.9305 3.3279 3.3279 4.3785 4.3785 4.4897 4.4897 4.8001 4.8001 5.0813 5.0813 5.3947 5.3947 5.6177 5.6177 6.6861 6.6861 9.3748 9.3748 9.8077 9.8077 10.0640 10.0640 10.8339 10.8339 k = 0.2134-0.2542 0.1649 ( 4253 PWs) bands (ev): -20.1493 -20.1493 -20.1265 -20.1265 -6.6110 -6.6110 -5.6255 -5.6255 -4.7706 -4.7706 -4.7180 -4.7180 -4.0304 -4.0304 -3.9210 -3.9210 -3.7839 -3.7839 -3.7675 -3.7675 1.5407 1.5407 1.9313 1.9313 3.3189 3.3189 4.3566 4.3566 4.4856 4.4856 4.8144 4.8144 5.0447 5.0447 5.3966 5.3966 5.6152 5.6152 6.6766 6.6766 9.3753 9.3753 9.8624 9.8624 10.1343 10.1343 10.8496 10.8496 k = 0.2253-0.2684 0.1741 ( 4253 PWs) bands (ev): -20.1485 -20.1485 -20.1273 -20.1273 -6.6194 -6.6194 -5.6348 -5.6348 -4.7587 -4.7587 -4.7182 -4.7182 -4.0147 -4.0147 -3.9217 -3.9217 -3.7796 -3.7796 -3.7676 -3.7676 1.5391 1.5391 1.9312 1.9312 3.3103 3.3103 4.3328 4.3328 4.4815 4.4815 4.8284 4.8284 5.0115 5.0115 5.3984 5.3984 5.6160 5.6160 6.6696 6.6696 9.3763 9.3763 9.9172 9.9172 10.2041 10.2041 10.8597 10.8597 k = 0.2372-0.2825 0.1833 ( 4255 PWs) bands (ev): -20.1477 -20.1477 -20.1281 -20.1281 -6.6278 -6.6278 -5.6439 -5.6439 -4.7472 -4.7472 -4.7178 -4.7178 -3.9995 -3.9995 -3.9220 -3.9220 -3.7764 -3.7764 -3.7663 -3.7663 1.5359 1.5359 1.9301 1.9301 3.3024 3.3024 4.3070 4.3070 4.4775 4.4775 4.8399 4.8399 4.9842 4.9842 5.4001 5.4001 5.6196 5.6196 6.6652 6.6652 9.3779 9.3779 9.9723 9.9723 10.2727 10.2727 10.8646 10.8646 k = 0.2490-0.2966 0.1924 ( 4245 PWs) bands (ev): -20.1469 -20.1469 -20.1288 -20.1288 -6.6363 -6.6363 -5.6529 -5.6529 -4.7363 -4.7363 -4.7169 -4.7169 -3.9847 -3.9847 -3.9219 -3.9219 -3.7747 -3.7747 -3.7632 -3.7632 1.5310 1.5310 1.9281 1.9281 3.2952 3.2952 4.2793 4.2793 4.4735 4.4735 4.8456 4.8456 4.9668 4.9668 5.4017 5.4017 5.6257 5.6257 6.6634 6.6634 9.3803 9.3803 10.0279 10.0279 10.3392 10.3392 10.8650 10.8650 k = 0.2609-0.3107 0.2016 ( 4241 PWs) bands (ev): -20.1461 -20.1461 -20.1296 -20.1296 -6.6449 -6.6449 -5.6617 -5.6617 -4.7262 -4.7262 -4.7149 -4.7149 -3.9706 -3.9706 -3.9213 -3.9213 -3.7741 -3.7741 -3.7588 -3.7588 1.5243 1.5243 1.9253 1.9253 3.2888 3.2888 4.2497 4.2497 4.4697 4.4697 4.8417 4.8417 4.9632 4.9632 5.4032 5.4032 5.6341 5.6341 6.6641 6.6641 9.3834 9.3834 10.0841 10.0841 10.4028 10.4028 10.8616 10.8616 k = 0.2727-0.3249 0.2108 ( 4245 PWs) bands (ev): -20.1453 -20.1453 -20.1304 -20.1304 -6.6534 -6.6534 -5.6704 -5.6704 -4.7186 -4.7186 -4.7104 -4.7104 -3.9573 -3.9573 -3.9201 -3.9201 -3.7737 -3.7737 -3.7541 -3.7541 1.5159 1.5159 1.9217 1.9217 3.2832 3.2832 4.2185 4.2185 4.4661 4.4661 4.8291 4.8291 4.9724 4.9724 5.4045 5.4045 5.6446 5.6446 6.6671 6.6671 9.3873 9.3873 10.1410 10.1410 10.4622 10.4622 10.8552 10.8552 k = 0.2846-0.3390 0.2199 ( 4254 PWs) bands (ev): -20.1445 -20.1445 -20.1311 -20.1311 -6.6617 -6.6617 -5.6789 -5.6789 -4.7144 -4.7144 -4.7025 -4.7025 -3.9447 -3.9447 -3.9183 -3.9183 -3.7734 -3.7734 -3.7492 -3.7492 1.5059 1.5059 1.9176 1.9176 3.2786 3.2786 4.1858 4.1858 4.4628 4.4628 4.8123 4.8123 4.9896 4.9896 5.4057 5.4057 5.6572 5.6572 6.6723 6.6723 9.3920 9.3920 10.1986 10.1986 10.5161 10.5161 10.8462 10.8462 k = 0.2965-0.3531 0.2291 ( 4264 PWs) bands (ev): -20.1437 -20.1437 -20.1319 -20.1319 -6.6699 -6.6699 -5.6874 -5.6874 -4.7111 -4.7111 -4.6937 -4.6937 -3.9332 -3.9332 -3.9157 -3.9157 -3.7730 -3.7730 -3.7444 -3.7444 1.4941 1.4941 1.9131 1.9131 3.2751 3.2751 4.1517 4.1517 4.4598 4.4598 4.7949 4.7949 5.0111 5.0111 5.4067 5.4067 5.6719 5.6719 6.6795 6.6795 9.3975 9.3975 10.2569 10.2569 10.5631 10.5631 10.8350 10.8350 k = 0.3083-0.3672 0.2383 ( 4270 PWs) bands (ev): -20.1430 -20.1430 -20.1326 -20.1326 -6.6779 -6.6779 -5.6957 -5.6957 -4.7077 -4.7077 -4.6850 -4.6850 -3.9232 -3.9232 -3.9118 -3.9118 -3.7724 -3.7724 -3.7399 -3.7399 1.4809 1.4809 1.9083 1.9083 3.2727 3.2727 4.1166 4.1166 4.4571 4.4571 4.7782 4.7782 5.0347 5.0347 5.4076 5.4076 5.6886 5.6886 6.6885 6.6885 9.4037 9.4037 10.3156 10.3156 10.6013 10.6013 10.8216 10.8216 k = 0.3202-0.3814 0.2474 ( 4270 PWs) bands (ev): -20.1422 -20.1422 -20.1333 -20.1333 -6.6856 -6.6856 -5.7038 -5.7038 -4.7040 -4.7040 -4.6767 -4.6767 -3.9156 -3.9156 -3.9059 -3.9059 -3.7717 -3.7717 -3.7356 -3.7356 1.4664 1.4664 1.9033 1.9033 3.2714 3.2714 4.0807 4.0807 4.4548 4.4548 4.7629 4.7629 5.0593 5.0593 5.4083 5.4083 5.7075 5.7075 6.6991 6.6991 9.4106 9.4106 10.3746 10.3746 10.6294 10.6294 10.8060 10.8060 k = 0.3320-0.3955 0.2566 ( 4262 PWs) bands (ev): -20.1415 -20.1415 -20.1340 -20.1340 -6.6930 -6.6930 -5.7117 -5.7117 -4.6999 -4.6999 -4.6690 -4.6690 -3.9102 -3.9102 -3.8982 -3.8982 -3.7708 -3.7708 -3.7317 -3.7317 1.4508 1.4508 1.8985 1.8985 3.2714 3.2714 4.0443 4.0443 4.4528 4.4528 4.7491 4.7491 5.0841 5.0841 5.4088 5.4088 5.7284 5.7284 6.7110 6.7110 9.4181 9.4181 10.4334 10.4334 10.6461 10.6461 10.7877 10.7877 k = 0.3439-0.4096 0.2657 ( 4256 PWs) bands (ev): -20.1408 -20.1408 -20.1346 -20.1346 -6.7000 -6.7000 -5.7195 -5.7195 -4.6956 -4.6956 -4.6618 -4.6618 -3.9054 -3.9054 -3.8902 -3.8902 -3.7699 -3.7699 -3.7282 -3.7282 1.4343 1.4343 1.8938 1.8938 3.2727 3.2727 4.0076 4.0076 4.4512 4.4512 4.7370 4.7370 5.1085 5.1085 5.4092 5.4092 5.7513 5.7513 6.7238 6.7238 9.4262 9.4262 10.4916 10.4916 10.6513 10.6513 10.7666 10.7666 k = 0.3557-0.4237 0.2749 ( 4252 PWs) bands (ev): -20.1402 -20.1402 -20.1353 -20.1353 -6.7067 -6.7067 -5.7270 -5.7270 -4.6910 -4.6910 -4.6552 -4.6552 -3.9006 -3.9006 -3.8826 -3.8826 -3.7688 -3.7688 -3.7252 -3.7252 1.4173 1.4173 1.8893 1.8893 3.2752 3.2752 3.9709 3.9709 4.4498 4.4498 4.7262 4.7262 5.1319 5.1319 5.4094 5.4094 5.7761 5.7761 6.7375 6.7375 9.4346 9.4346 10.5487 10.5487 10.6458 10.6458 10.7424 10.7424 k = 0.3676-0.4379 0.2841 ( 4252 PWs) bands (ev): -20.1396 -20.1396 -20.1358 -20.1358 -6.7129 -6.7129 -5.7341 -5.7341 -4.6862 -4.6862 -4.6492 -4.6492 -3.8956 -3.8956 -3.8758 -3.8758 -3.7677 -3.7677 -3.7227 -3.7227 1.4000 1.4000 1.8851 1.8851 3.2790 3.2790 3.9345 3.9345 4.4487 4.4487 4.7169 4.7169 5.1540 5.1540 5.4094 5.4094 5.8024 5.8024 6.7515 6.7515 9.4433 9.4433 10.6025 10.6025 10.6327 10.6327 10.7153 10.7153 k = 0.3795-0.4520 0.2932 ( 4258 PWs) bands (ev): -20.1390 -20.1390 -20.1364 -20.1364 -6.7187 -6.7187 -5.7409 -5.7409 -4.6814 -4.6814 -4.6438 -4.6438 -3.8904 -3.8904 -3.8696 -3.8696 -3.7665 -3.7665 -3.7207 -3.7207 1.3829 1.3829 1.8813 1.8813 3.2840 3.2840 3.8987 3.8987 4.4479 4.4479 4.7088 4.7088 5.1744 5.1744 5.4094 5.4094 5.8299 5.8299 6.7657 6.7657 9.4521 9.4521 10.6063 10.6063 10.6571 10.6571 10.6889 10.6889 k = 0.3913-0.4661 0.3024 ( 4266 PWs) bands (ev): -20.1384 -20.1384 -20.1369 -20.1369 -6.7240 -6.7240 -5.7473 -5.7473 -4.6766 -4.6766 -4.6390 -4.6390 -3.8850 -3.8850 -3.8642 -3.8642 -3.7654 -3.7654 -3.7191 -3.7191 1.3661 1.3661 1.8779 1.8779 3.2902 3.2902 3.8639 3.8639 4.4472 4.4472 4.7017 4.7017 5.1930 5.1930 5.4092 5.4092 5.8581 5.8581 6.7797 6.7797 9.4609 9.4609 10.5803 10.5803 10.6482 10.6482 10.7166 10.7166 k = 0.3913-0.4661 0.3024 ( 4266 PWs) bands (ev): -20.1384 -20.1384 -20.1369 -20.1369 -6.7240 -6.7240 -5.7473 -5.7473 -4.6766 -4.6766 -4.6390 -4.6390 -3.8850 -3.8850 -3.8642 -3.8642 -3.7654 -3.7654 -3.7191 -3.7191 1.3661 1.3661 1.8779 1.8779 3.2902 3.2902 3.8639 3.8639 4.4472 4.4472 4.7017 4.7017 5.1930 5.1930 5.4092 5.4092 5.8581 5.8581 6.7797 6.7797 9.4609 9.4609 10.5803 10.5803 10.6482 10.6482 10.7166 10.7166 k = 0.3968-0.4472 0.2969 ( 4262 PWs) bands (ev): -20.1389 -20.1389 -20.1364 -20.1364 -6.7206 -6.7206 -5.7433 -5.7433 -4.6804 -4.6804 -4.6412 -4.6412 -3.8908 -3.8908 -3.8651 -3.8651 -3.7661 -3.7661 -3.7200 -3.7200 1.3762 1.3762 1.8799 1.8799 3.2866 3.2866 3.8850 3.8850 4.4478 4.4478 4.7059 4.7059 5.1824 5.1824 5.4092 5.4092 5.8412 5.8412 6.7715 6.7715 9.4556 9.4556 10.5834 10.5834 10.6701 10.6701 10.6949 10.6949 k = 0.4022-0.4283 0.2915 ( 4256 PWs) bands (ev): -20.1396 -20.1396 -20.1358 -20.1358 -6.7166 -6.7166 -5.7387 -5.7387 -4.6858 -4.6858 -4.6429 -4.6429 -3.8997 -3.8997 -3.8639 -3.8639 -3.7669 -3.7669 -3.7213 -3.7213 1.3869 1.3869 1.8821 1.8821 3.2837 3.2837 3.9074 3.9074 4.4488 4.4488 4.7106 4.7106 5.1717 5.1717 5.4090 5.4090 5.8242 5.8242 6.7636 6.7636 9.4501 9.4501 10.5584 10.5584 10.6864 10.6864 10.7010 10.7010 k = 0.4076-0.4094 0.2860 ( 4260 PWs) bands (ev): -20.1402 -20.1402 -20.1352 -20.1352 -6.7120 -6.7120 -5.7335 -5.7335 -4.6924 -4.6924 -4.6445 -4.6445 -3.9094 -3.9094 -3.8627 -3.8627 -3.7677 -3.7677 -3.7227 -3.7227 1.3980 1.3980 1.8845 1.8845 3.2817 3.2817 3.9307 3.9307 4.4503 4.4503 4.7161 4.7161 5.1610 5.1610 5.4085 5.4085 5.8072 5.8072 6.7558 6.7558 9.4444 9.4444 10.5175 10.5175 10.6893 10.6893 10.7317 10.7317 k = 0.4131-0.3905 0.2806 ( 4252 PWs) bands (ev): -20.1408 -20.1408 -20.1346 -20.1346 -6.7068 -6.7068 -5.7280 -5.7280 -4.6997 -4.6997 -4.6462 -4.6462 -3.9194 -3.9194 -3.8620 -3.8620 -3.7683 -3.7683 -3.7244 -3.7244 1.4094 1.4094 1.8871 1.8871 3.2803 3.2803 3.9544 3.9544 4.4521 4.4521 4.7223 4.7223 5.1506 5.1506 5.4078 5.4078 5.7900 5.7900 6.7484 6.7484 9.4387 9.4387 10.4704 10.4704 10.6930 10.6930 10.7635 10.7635 k = 0.4185-0.3716 0.2751 ( 4254 PWs) bands (ev): -20.1415 -20.1415 -20.1340 -20.1340 -6.7012 -6.7012 -5.7220 -5.7220 -4.7073 -4.7073 -4.6482 -4.6482 -3.9291 -3.9291 -3.8622 -3.8622 -3.7687 -3.7687 -3.7262 -3.7262 1.4210 1.4210 1.8899 1.8899 3.2796 3.2796 3.9783 3.9783 4.4542 4.4542 4.7293 4.7293 5.1406 5.1406 5.4067 5.4067 5.7727 5.7727 6.7413 6.7413 9.4330 9.4330 10.4212 10.4212 10.6955 10.6955 10.7946 10.7946 k = 0.4239-0.3526 0.2696 ( 4256 PWs) bands (ev): -20.1421 -20.1421 -20.1334 -20.1334 -6.6952 -6.6952 -5.7159 -5.7159 -4.7151 -4.7151 -4.6509 -4.6509 -3.9386 -3.9386 -3.8633 -3.8633 -3.7689 -3.7689 -3.7282 -3.7282 1.4326 1.4326 1.8929 1.8929 3.2796 3.2796 4.0018 4.0018 4.4566 4.4566 4.7371 4.7371 5.1312 5.1312 5.4053 5.4053 5.7553 5.7553 6.7347 6.7347 9.4275 9.4275 10.3720 10.3720 10.6960 10.6960 10.8240 10.8240 k = 0.4294-0.3337 0.2642 ( 4253 PWs) bands (ev): -20.1426 -20.1426 -20.1329 -20.1329 -6.6890 -6.6890 -5.7096 -5.7096 -4.7227 -4.7227 -4.6540 -4.6540 -3.9475 -3.9475 -3.8654 -3.8654 -3.7687 -3.7687 -3.7302 -3.7302 1.4441 1.4441 1.8960 1.8960 3.2801 3.2801 4.0247 4.0247 4.4591 4.4591 4.7459 4.7459 5.1227 5.1227 5.4034 5.4034 5.7378 5.7378 6.7284 6.7284 9.4220 9.4220 10.3237 10.3237 10.6940 10.6940 10.8510 10.8510 k = 0.4348-0.3148 0.2587 ( 4253 PWs) bands (ev): -20.1432 -20.1432 -20.1324 -20.1324 -6.6826 -6.6826 -5.7033 -5.7033 -4.7299 -4.7299 -4.6578 -4.6578 -3.9559 -3.9559 -3.8683 -3.8683 -3.7682 -3.7682 -3.7322 -3.7322 1.4553 1.4553 1.8992 1.8992 3.2811 3.2811 4.0465 4.0465 4.4616 4.4616 4.7555 4.7555 5.1154 5.1154 5.4012 5.4012 5.7202 5.7202 6.7226 6.7226 9.4168 9.4168 10.2771 10.2771 10.6894 10.6894 10.8745 10.8745 k = 0.4402-0.2959 0.2533 ( 4249 PWs) bands (ev): -20.1437 -20.1437 -20.1319 -20.1319 -6.6760 -6.6760 -5.6972 -5.6972 -4.7367 -4.7367 -4.6622 -4.6622 -3.9636 -3.9636 -3.8720 -3.8720 -3.7674 -3.7674 -3.7342 -3.7342 1.4661 1.4661 1.9025 1.9025 3.2825 3.2825 4.0671 4.0671 4.4641 4.4641 4.7659 4.7659 5.1095 5.1095 5.3984 5.3984 5.7025 5.7025 6.7173 6.7173 9.4118 9.4118 10.2328 10.2328 10.6826 10.6826 10.8934 10.8934 k = 0.4457-0.2770 0.2478 ( 4243 PWs) bands (ev): -20.1441 -20.1441 -20.1314 -20.1314 -6.6696 -6.6696 -5.6912 -5.6912 -4.7429 -4.7429 -4.6670 -4.6670 -3.9706 -3.9706 -3.8762 -3.8762 -3.7664 -3.7664 -3.7361 -3.7361 1.4764 1.4764 1.9058 1.9058 3.2841 3.2841 4.0861 4.0861 4.4663 4.4663 4.7768 4.7768 5.1054 5.1054 5.3952 5.3952 5.6849 5.6849 6.7125 6.7125 9.4071 9.4071 10.1912 10.1912 10.6738 10.6738 10.9065 10.9065 k = 0.4511-0.2581 0.2423 ( 4243 PWs) bands (ev): -20.1446 -20.1446 -20.1310 -20.1310 -6.6633 -6.6633 -5.6855 -5.6855 -4.7483 -4.7483 -4.6723 -4.6723 -3.9770 -3.9770 -3.8809 -3.8809 -3.7652 -3.7652 -3.7379 -3.7379 1.4860 1.4860 1.9091 1.9091 3.2860 3.2860 4.1034 4.1034 4.4682 4.4682 4.7878 4.7878 5.1033 5.1033 5.3913 5.3913 5.6675 5.6675 6.7082 6.7082 9.4028 9.4028 10.1527 10.1527 10.6635 10.6635 10.9134 10.9134 k = 0.4565-0.2392 0.2369 ( 4247 PWs) bands (ev): -20.1450 -20.1450 -20.1307 -20.1307 -6.6572 -6.6572 -5.6802 -5.6802 -4.7528 -4.7528 -4.6780 -4.6780 -3.9825 -3.9825 -3.8856 -3.8856 -3.7638 -3.7638 -3.7397 -3.7397 1.4948 1.4948 1.9124 1.9124 3.2881 3.2881 4.1189 4.1189 4.4698 4.4698 4.7987 4.7987 5.1034 5.1034 5.3868 5.3868 5.6506 5.6506 6.7044 6.7044 9.3989 9.3989 10.1176 10.1176 10.6524 10.6524 10.9146 10.9146 k = 0.4620-0.2203 0.2314 ( 4245 PWs) bands (ev): -20.1453 -20.1453 -20.1303 -20.1303 -6.6515 -6.6515 -5.6753 -5.6753 -4.7564 -4.7564 -4.6839 -4.6839 -3.9874 -3.9874 -3.8904 -3.8904 -3.7623 -3.7623 -3.7414 -3.7414 1.5028 1.5028 1.9155 1.9155 3.2901 3.2901 4.1325 4.1325 4.4710 4.4710 4.8090 4.8090 5.1060 5.1060 5.3816 5.3816 5.6344 5.6344 6.7011 6.7011 9.3954 9.3954 10.0862 10.0862 10.6409 10.6409 10.9116 10.9116 k = 0.4674-0.2014 0.2260 ( 4252 PWs) bands (ev): -20.1456 -20.1456 -20.1301 -20.1301 -6.6464 -6.6464 -5.6710 -5.6710 -4.7591 -4.7591 -4.6898 -4.6898 -3.9915 -3.9915 -3.8950 -3.8950 -3.7608 -3.7608 -3.7430 -3.7430 1.5098 1.5098 1.9184 1.9184 3.2921 3.2921 4.1442 4.1442 4.4719 4.4719 4.8183 4.8183 5.1109 5.1109 5.3756 5.3756 5.6192 5.6192 6.6983 6.6983 9.3922 9.3922 10.0585 10.0585 10.6297 10.6297 10.9059 10.9059 k = 0.4728-0.1824 0.2205 ( 4247 PWs) bands (ev): -20.1459 -20.1459 -20.1298 -20.1298 -6.6418 -6.6418 -5.6673 -5.6673 -4.7609 -4.7609 -4.6956 -4.6956 -3.9950 -3.9950 -3.8992 -3.8992 -3.7593 -3.7593 -3.7445 -3.7445 1.5159 1.5159 1.9210 1.9210 3.2940 3.2940 4.1540 4.1540 4.4724 4.4724 4.8263 4.8263 5.1177 5.1177 5.3691 5.3691 5.6056 5.6056 6.6960 6.6960 9.3896 9.3896 10.0349 10.0349 10.6193 10.6193 10.8990 10.8990 k = 0.4783-0.1635 0.2150 ( 4247 PWs) bands (ev): -20.1461 -20.1461 -20.1296 -20.1296 -6.6379 -6.6379 -5.6642 -5.6642 -4.7619 -4.7619 -4.7011 -4.7011 -3.9977 -3.9977 -3.9029 -3.9029 -3.7577 -3.7577 -3.7460 -3.7460 1.5209 1.5209 1.9232 1.9232 3.2956 3.2956 4.1619 4.1619 4.4727 4.4727 4.8327 4.8327 5.1259 5.1259 5.3622 5.3622 5.5938 5.5938 6.6942 6.6942 9.3874 9.3874 10.0155 10.0155 10.6100 10.6100 10.8920 10.8920 k = 0.4837-0.1446 0.2096 ( 4262 PWs) bands (ev): -20.1462 -20.1462 -20.1295 -20.1295 -6.6348 -6.6348 -5.6617 -5.6617 -4.7623 -4.7623 -4.7059 -4.7059 -3.9998 -3.9998 -3.9059 -3.9059 -3.7562 -3.7562 -3.7475 -3.7475 1.5248 1.5248 1.9251 1.9251 3.2970 3.2970 4.1680 4.1680 4.4728 4.4728 4.8377 4.8377 5.1344 5.1344 5.3554 5.3554 5.5842 5.5842 6.6928 6.6928 9.3857 9.3857 10.0002 10.0002 10.6024 10.6024 10.8858 10.8858 k = 0.4891-0.1257 0.2041 ( 4259 PWs) bands (ev): -20.1464 -20.1464 -20.1293 -20.1293 -6.6325 -6.6325 -5.6600 -5.6600 -4.7622 -4.7622 -4.7097 -4.7097 -4.0013 -4.0013 -3.9081 -3.9081 -3.7547 -3.7547 -3.7490 -3.7490 1.5276 1.5276 1.9264 1.9264 3.2980 3.2980 4.1724 4.1724 4.4728 4.4728 4.8411 4.8411 5.1420 5.1420 5.3494 5.3494 5.5771 5.5771 6.6918 6.6918 9.3845 9.3845 9.9893 9.9893 10.5968 10.5968 10.8810 10.8810 k = 0.4946-0.1068 0.1987 ( 4261 PWs) bands (ev): -20.1464 -20.1464 -20.1293 -20.1293 -6.6311 -6.6311 -5.6589 -5.6589 -4.7620 -4.7620 -4.7121 -4.7121 -4.0022 -4.0022 -3.9095 -3.9095 -3.7533 -3.7533 -3.7504 -3.7504 1.5293 1.5293 1.9272 1.9272 3.2986 3.2986 4.1750 4.1750 4.4728 4.4728 4.8431 4.8431 5.1473 5.1473 5.3453 5.3453 5.5728 5.5728 6.6912 6.6912 9.3837 9.3837 9.9827 9.9827 10.5933 10.5933 10.8780 10.8780 k = 0.5000-0.0879 0.1932 ( 4258 PWs) bands (ev): -20.1465 -20.1465 -20.1293 -20.1293 -6.6306 -6.6306 -5.6586 -5.6586 -4.7619 -4.7619 -4.7130 -4.7130 -4.0024 -4.0024 -3.9099 -3.9099 -3.7519 -3.7519 -3.7517 -3.7517 1.5299 1.5299 1.9275 1.9275 3.2988 3.2988 4.1758 4.1758 4.4728 4.4728 4.8438 4.8438 5.1492 5.1492 5.3438 5.3438 5.5713 5.5713 6.6910 6.6910 9.3835 9.3835 9.9805 9.9805 10.5921 10.5921 10.8769 10.8769 k = 0.5000-0.0879 0.1932 ( 4258 PWs) bands (ev): -20.1465 -20.1465 -20.1293 -20.1293 -6.6306 -6.6306 -5.6586 -5.6586 -4.7619 -4.7619 -4.7130 -4.7130 -4.0024 -4.0024 -3.9099 -3.9099 -3.7519 -3.7519 -3.7517 -3.7517 1.5299 1.5299 1.9275 1.9275 3.2988 3.2988 4.1758 4.1758 4.4728 4.4728 4.8438 4.8438 5.1492 5.1492 5.3438 5.3438 5.5713 5.5713 6.6910 6.6910 9.3835 9.3835 9.9805 9.9805 10.5921 10.5921 10.8769 10.8769 k = 0.4940-0.0808 0.2118 ( 4272 PWs) bands (ev): -20.1464 -20.1464 -20.1292 -20.1292 -6.6296 -6.6296 -5.6586 -5.6586 -4.7623 -4.7623 -4.7129 -4.7129 -4.0026 -4.0026 -3.9099 -3.9099 -3.7544 -3.7544 -3.7505 -3.7505 1.5311 1.5311 1.9280 1.9280 3.2996 3.2996 4.1697 4.1697 4.4780 4.4780 4.8292 4.8292 5.1537 5.1537 5.3413 5.3413 5.5815 5.5815 6.6906 6.6906 9.3705 9.3705 9.9845 9.9845 10.5955 10.5955 10.8791 10.8791 k = 0.4881-0.0737 0.2305 ( 4272 PWs) bands (ev): -20.1461 -20.1461 -20.1289 -20.1289 -6.6266 -6.6266 -5.6586 -5.6586 -4.7634 -4.7634 -4.7128 -4.7128 -4.0031 -4.0031 -3.9099 -3.9099 -3.7582 -3.7582 -3.7504 -3.7504 1.5348 1.5348 1.9297 1.9297 3.3017 3.3017 4.1527 4.1527 4.4917 4.4917 4.7891 4.7891 5.1651 5.1651 5.3361 5.3361 5.6088 5.6088 6.6895 6.6895 9.3329 9.3329 9.9956 9.9956 10.6054 10.6054 10.8848 10.8848 k = 0.4821-0.0666 0.2491 ( 4266 PWs) bands (ev): -20.1458 -20.1458 -20.1286 -20.1286 -6.6215 -6.6215 -5.6587 -5.6587 -4.7653 -4.7653 -4.7125 -4.7125 -4.0039 -4.0039 -3.9100 -3.9100 -3.7633 -3.7633 -3.7514 -3.7514 1.5409 1.5409 1.9324 1.9324 3.3052 3.3052 4.1276 4.1276 4.5089 4.5089 4.7321 4.7321 5.1793 5.1793 5.3323 5.3323 5.6469 5.6469 6.6875 6.6875 9.2747 9.2747 10.0124 10.0124 10.6217 10.6217 10.8927 10.8927 k = 0.4762-0.0595 0.2677 ( 4266 PWs) bands (ev): -20.1452 -20.1452 -20.1280 -20.1280 -6.6145 -6.6145 -5.6588 -5.6588 -4.7678 -4.7678 -4.7122 -4.7122 -4.0051 -4.0051 -3.9102 -3.9102 -3.7695 -3.7695 -3.7536 -3.7536 1.5493 1.5493 1.9364 1.9364 3.3101 3.3101 4.0971 4.0971 4.5178 4.5178 4.6728 4.6728 5.1935 5.1935 5.3327 5.3327 5.6901 5.6901 6.6847 6.6847 9.2005 9.2005 10.0334 10.0334 10.6441 10.6441 10.9008 10.9008 k = 0.4702-0.0524 0.2863 ( 4262 PWs) bands (ev): -20.1445 -20.1445 -20.1273 -20.1273 -6.6054 -6.6054 -5.6589 -5.6589 -4.7710 -4.7710 -4.7120 -4.7120 -4.0065 -4.0065 -3.9105 -3.9105 -3.7768 -3.7768 -3.7568 -3.7568 1.5601 1.5601 1.9416 1.9416 3.3161 3.3161 4.0634 4.0634 4.4892 4.4892 4.6425 4.6425 5.2066 5.2066 5.3384 5.3384 5.7345 5.7345 6.6810 6.6810 9.1147 9.1147 10.0574 10.0574 10.6718 10.6718 10.9077 10.9077 k = 0.4643-0.0454 0.3050 ( 4258 PWs) bands (ev): -20.1437 -20.1437 -20.1265 -20.1265 -6.5944 -6.5944 -5.6591 -5.6591 -4.7748 -4.7748 -4.7118 -4.7118 -4.0083 -4.0083 -3.9110 -3.9110 -3.7851 -3.7851 -3.7609 -3.7609 1.5732 1.5732 1.9483 1.9483 3.3230 3.3230 4.0275 4.0275 4.4142 4.4142 4.6518 4.6518 5.2184 5.2184 5.3493 5.3493 5.7775 5.7775 6.6764 6.6764 9.0210 9.0210 10.0839 10.0839 10.7042 10.7042 10.9124 10.9124 k = 0.4583-0.0383 0.3236 ( 4254 PWs) bands (ev): -20.1427 -20.1427 -20.1255 -20.1255 -6.5815 -6.5815 -5.6593 -5.6593 -4.7791 -4.7791 -4.7118 -4.7118 -4.0105 -4.0105 -3.9119 -3.9119 -3.7941 -3.7941 -3.7658 -3.7658 1.5885 1.5885 1.9565 1.9565 3.3307 3.3307 3.9904 3.9904 4.3187 4.3187 4.6762 4.6762 5.2292 5.2292 5.3649 5.3649 5.8175 5.8175 6.6707 6.6707 8.9226 8.9226 10.1124 10.1124 10.7402 10.7402 10.9144 10.9144 k = 0.4524-0.0312 0.3422 ( 4256 PWs) bands (ev): -20.1415 -20.1415 -20.1244 -20.1244 -6.5667 -6.5667 -5.6597 -5.6597 -4.7840 -4.7840 -4.7119 -4.7119 -4.0130 -4.0130 -3.9134 -3.9134 -3.8038 -3.8038 -3.7713 -3.7713 1.6058 1.6058 1.9665 1.9665 3.3387 3.3387 3.9520 3.9520 4.2155 4.2155 4.7044 4.7044 5.2394 5.2394 5.3844 5.3844 5.8535 5.8535 6.6639 6.6639 8.8221 8.8221 10.1425 10.1425 10.7785 10.7785 10.9136 10.9136 k = 0.4464-0.0241 0.3609 ( 4244 PWs) bands (ev): -20.1403 -20.1403 -20.1232 -20.1232 -6.5500 -6.5500 -5.6601 -5.6601 -4.7893 -4.7893 -4.7123 -4.7123 -4.0158 -4.0158 -3.9155 -3.9155 -3.8139 -3.8139 -3.7772 -3.7772 1.6250 1.6250 1.9784 1.9784 3.3463 3.3463 3.9115 3.9115 4.1105 4.1105 4.7331 4.7331 5.2487 5.2487 5.4073 5.4073 5.8847 5.8847 6.6558 6.6558 8.7216 8.7216 10.1735 10.1735 10.8174 10.8174 10.9103 10.9103 k = 0.4405-0.0170 0.3795 ( 4250 PWs) bands (ev): -20.1389 -20.1389 -20.1219 -20.1219 -6.5316 -6.5316 -5.6607 -5.6607 -4.7951 -4.7951 -4.7129 -4.7129 -4.0191 -4.0191 -3.9186 -3.9186 -3.8242 -3.8242 -3.7834 -3.7834 1.6461 1.6461 1.9924 1.9924 3.3526 3.3526 3.8656 3.8656 4.0103 4.0103 4.7608 4.7608 5.2569 5.2569 5.4334 5.4334 5.9110 5.9110 6.6464 6.6464 8.6230 8.6230 10.2049 10.2049 10.8548 10.8548 10.9050 10.9050 k = 0.4345-0.0099 0.3981 ( 4242 PWs) bands (ev): -20.1374 -20.1374 -20.1204 -20.1204 -6.5114 -6.5114 -5.6613 -5.6613 -4.8014 -4.8014 -4.7139 -4.7139 -4.0228 -4.0228 -3.9229 -3.9229 -3.8343 -3.8343 -3.7895 -3.7895 1.6688 1.6688 2.0086 2.0086 3.3559 3.3559 3.8048 3.8048 3.9275 3.9275 4.7870 4.7870 5.2629 5.2629 5.4628 5.4628 5.9320 5.9320 6.6355 6.6355 8.5280 8.5280 10.2355 10.2355 10.8862 10.8862 10.9008 10.9008 k = 0.4286-0.0028 0.4168 ( 4244 PWs) bands (ev): -20.1358 -20.1358 -20.1188 -20.1188 -6.4896 -6.4896 -5.6622 -5.6622 -4.8081 -4.8081 -4.7152 -4.7152 -4.0269 -4.0269 -3.9285 -3.9285 -3.8441 -3.8441 -3.7954 -3.7954 1.6930 1.6930 2.0273 2.0273 3.3531 3.3531 3.7231 3.7231 3.8722 3.8722 4.8112 4.8112 5.2659 5.2659 5.4954 5.4954 5.9479 5.9479 6.6229 6.6229 8.4379 8.4379 10.2641 10.2641 10.8879 10.8879 10.9200 10.9200 k = 0.4226 0.0043 0.4354 ( 4242 PWs) bands (ev): -20.1341 -20.1341 -20.1171 -20.1171 -6.4662 -6.4662 -5.6632 -5.6632 -4.8152 -4.8152 -4.7168 -4.7168 -4.0317 -4.0317 -3.9354 -3.9354 -3.8534 -3.8534 -3.8007 -3.8007 1.7186 1.7186 2.0486 2.0486 3.3381 3.3381 3.6357 3.6357 3.8361 3.8361 4.8335 4.8335 5.2646 5.2646 5.5311 5.5311 5.9588 5.9588 6.6086 6.6086 8.3540 8.3540 10.2890 10.2890 10.8817 10.8817 10.9400 10.9400 k = 0.4167 0.0114 0.4540 ( 4240 PWs) bands (ev): -20.1323 -20.1323 -20.1154 -20.1154 -6.4413 -6.4413 -5.6644 -5.6644 -4.8227 -4.8227 -4.7189 -4.7189 -4.0372 -4.0372 -3.9436 -3.9436 -3.8624 -3.8624 -3.8052 -3.8052 1.7453 1.7453 2.0725 2.0725 3.3009 3.3009 3.5620 3.5620 3.8109 3.8109 4.8539 4.8539 5.2582 5.2582 5.5695 5.5695 5.9650 5.9650 6.5924 6.5924 8.2773 8.2773 10.3081 10.3081 10.8780 10.8780 10.9509 10.9509 k = 0.4107 0.0185 0.4727 ( 4238 PWs) bands (ev): -20.1304 -20.1304 -20.1135 -20.1135 -6.4149 -6.4149 -5.6658 -5.6658 -4.8306 -4.8306 -4.7213 -4.7213 -4.0435 -4.0435 -3.9528 -3.9528 -3.8711 -3.8711 -3.8088 -3.8088 1.7732 1.7732 2.0989 2.0989 3.2342 3.2342 3.5124 3.5124 3.7942 3.7942 4.8724 4.8724 5.2459 5.2459 5.6100 5.6100 5.9669 5.9669 6.5742 6.5742 8.2089 8.2089 10.3192 10.3192 10.8791 10.8791 10.9519 10.9519 k = 0.4048 0.0255 0.4913 ( 4244 PWs) bands (ev): -20.1285 -20.1285 -20.1116 -20.1116 -6.3872 -6.3872 -5.6674 -5.6674 -4.8388 -4.8388 -4.7241 -4.7241 -4.0507 -4.0507 -3.9624 -3.9624 -3.8795 -3.8795 -3.8114 -3.8114 1.8020 1.8020 2.1276 2.1276 3.1448 3.1448 3.4815 3.4815 3.7856 3.7856 4.8892 4.8892 5.2269 5.2269 5.6515 5.6515 5.9654 5.9654 6.5539 6.5539 8.1494 8.1494 10.3207 10.3207 10.8869 10.8869 10.9434 10.9434 k = 0.3988 0.0326 0.5099 ( 4246 PWs) bands (ev): -20.1265 -20.1265 -20.1097 -20.1097 -6.3583 -6.3583 -5.6692 -5.6692 -4.8474 -4.8474 -4.7273 -4.7273 -4.0590 -4.0590 -3.9721 -3.9721 -3.8879 -3.8879 -3.8130 -3.8130 1.8318 1.8318 2.1581 2.1581 3.0448 3.0448 3.4585 3.4585 3.7848 3.7848 4.9045 4.9045 5.2009 5.2009 5.6924 5.6924 5.9617 5.9617 6.5315 6.5315 8.0993 8.0993 10.3115 10.3115 10.9019 10.9019 10.9272 10.9272 k = 0.3929 0.0397 0.5285 ( 4252 PWs) bands (ev): -20.1244 -20.1244 -20.1077 -20.1077 -6.3283 -6.3283 -5.6713 -5.6713 -4.8563 -4.8563 -4.7310 -4.7310 -4.0684 -4.0684 -3.9816 -3.9816 -3.8960 -3.8960 -3.8138 -3.8138 1.8625 1.8625 2.1891 2.1891 2.9423 2.9423 3.4373 3.4373 3.7913 3.7913 4.9184 4.9184 5.1678 5.1678 5.7298 5.7298 5.9583 5.9583 6.5070 6.5070 8.0591 8.0591 10.2921 10.2921 10.9001 10.9001 10.9290 10.9290 k = 0.3869 0.0468 0.5472 ( 4254 PWs) bands (ev): -20.1223 -20.1223 -20.1056 -20.1056 -6.2973 -6.2973 -5.6737 -5.6737 -4.8655 -4.8655 -4.7350 -4.7350 -4.0789 -4.0789 -3.9907 -3.9907 -3.9039 -3.9039 -3.8139 -3.8139 1.8942 1.8942 2.2186 2.2186 2.8433 2.8433 3.4157 3.4157 3.8040 3.8040 4.9309 4.9309 5.1276 5.1276 5.7591 5.7591 5.9593 5.9593 6.4805 6.4805 8.0288 8.0288 10.2635 10.2635 10.8722 10.8722 10.9589 10.9589 k = 0.3810 0.0539 0.5658 ( 4252 PWs) bands (ev): -20.1202 -20.1202 -20.1035 -20.1035 -6.2655 -6.2655 -5.6762 -5.6762 -4.8749 -4.8749 -4.7394 -4.7394 -4.0902 -4.0902 -3.9992 -3.9992 -3.9114 -3.9114 -3.8135 -3.8135 1.9269 1.9269 2.2424 2.2424 2.7536 2.7536 3.3931 3.3931 3.8220 3.8220 4.9416 4.9416 5.0813 5.0813 5.7740 5.7740 5.9704 5.9704 6.4522 6.4522 8.0081 8.0081 10.2276 10.2276 10.8400 10.8400 10.9953 10.9953 k = 0.3750 0.0610 0.5844 ( 4248 PWs) bands (ev): -20.1180 -20.1180 -20.1014 -20.1014 -6.2329 -6.2329 -5.6790 -5.6790 -4.8845 -4.8845 -4.7441 -4.7441 -4.1022 -4.1022 -4.0073 -4.0073 -3.9184 -3.9184 -3.8126 -3.8126 1.9607 1.9607 2.2525 2.2525 2.6822 2.6822 3.3698 3.3698 3.8441 3.8441 4.9484 4.9484 5.0315 5.0315 5.7713 5.7713 5.9940 5.9940 6.4227 6.4227 7.9968 7.9968 10.1863 10.1863 10.8056 10.8056 11.0359 11.0359 k = 0.3690 0.0681 0.6031 ( 4244 PWs) bands (ev): -20.1159 -20.1159 -20.0994 -20.0994 -6.1998 -6.1998 -5.6821 -5.6821 -4.8943 -4.8943 -4.7491 -4.7491 -4.1146 -4.1146 -4.0150 -4.0150 -3.9249 -3.9249 -3.8114 -3.8114 1.9955 1.9955 2.2381 2.2381 2.6407 2.6407 3.3463 3.3463 3.8695 3.8695 4.9365 4.9365 4.9937 4.9937 5.7537 5.7537 6.0262 6.0262 6.3927 6.3927 7.9941 7.9941 10.1410 10.1410 10.7701 10.7701 11.0794 11.0794 k = 0.3631 0.0752 0.6217 ( 4248 PWs) bands (ev): -20.1138 -20.1138 -20.0973 -20.0973 -6.1663 -6.1663 -5.6853 -5.6853 -4.9042 -4.9042 -4.7543 -4.7543 -4.1272 -4.1272 -4.0224 -4.0224 -3.9307 -3.9307 -3.8099 -3.8099 2.0310 2.0310 2.1943 2.1943 2.6349 2.6349 3.3229 3.3229 3.8973 3.8973 4.8850 4.8850 4.9896 4.9896 5.7254 5.7254 6.0610 6.0610 6.3642 6.3642 7.9994 7.9994 10.0934 10.0934 10.7347 10.7347 11.1246 11.1246 k = 0.3571 0.0823 0.6403 ( 4248 PWs) bands (ev): -20.1117 -20.1117 -20.0952 -20.0952 -6.1326 -6.1326 -5.6887 -5.6887 -4.9142 -4.9142 -4.7598 -4.7598 -4.1398 -4.1398 -4.0297 -4.0297 -3.9359 -3.9359 -3.8083 -3.8083 2.0636 2.0636 2.1321 2.1321 2.6575 2.6575 3.3001 3.3001 3.9269 3.9269 4.8177 4.8177 4.9964 4.9964 5.6895 5.6895 6.0915 6.0915 6.3407 6.3407 8.0118 8.0118 10.0446 10.0446 10.7000 10.7000 11.1706 11.1706 k = 0.3512 0.0894 0.6590 ( 4250 PWs) bands (ev): -20.1096 -20.1096 -20.0932 -20.0932 -6.0988 -6.0988 -5.6923 -5.6923 -4.9243 -4.9243 -4.7654 -4.7654 -4.1522 -4.1522 -4.0367 -4.0367 -3.9403 -3.9403 -3.8067 -3.8067 2.0365 2.0365 2.1193 2.1193 2.6978 2.6978 3.2784 3.2784 3.9576 3.9576 4.7444 4.7444 5.0052 5.0052 5.6476 5.6476 6.1096 6.1096 6.3286 6.3286 8.0304 8.0304 9.9958 9.9958 10.6667 10.6667 11.2164 11.2164 k = 0.3452 0.0964 0.6776 ( 4264 PWs) bands (ev): -20.1076 -20.1076 -20.0912 -20.0912 -6.0652 -6.0652 -5.6960 -5.6960 -4.9343 -4.9343 -4.7711 -4.7711 -4.1643 -4.1643 -4.0437 -4.0437 -3.9442 -3.9442 -3.8050 -3.8050 1.9566 1.9566 2.1564 2.1564 2.7483 2.7483 3.2581 3.2581 3.9887 3.9887 4.6679 4.6679 5.0145 5.0145 5.6007 5.6007 6.1081 6.1081 6.3344 6.3344 8.0540 8.0540 9.9477 9.9477 10.6353 10.6353 11.2614 11.2614 k = 0.3393 0.1035 0.6962 ( 4262 PWs) bands (ev): -20.1056 -20.1056 -20.0893 -20.0893 -6.0319 -6.0319 -5.6997 -5.6997 -4.9443 -4.9443 -4.7768 -4.7768 -4.1759 -4.1759 -4.0504 -4.0504 -3.9474 -3.9474 -3.8033 -3.8033 1.8729 1.8729 2.1984 2.1984 2.8048 2.8048 3.2399 3.2399 4.0195 4.0195 4.5895 4.5895 5.0240 5.0240 5.5496 5.5496 6.0873 6.0873 6.3571 6.3571 8.0818 8.0818 9.9013 9.9013 10.6062 10.6062 11.3044 11.3044 k = 0.3333 0.1106 0.7149 ( 4268 PWs) bands (ev): -20.1037 -20.1037 -20.0874 -20.0874 -5.9993 -5.9993 -5.7035 -5.7035 -4.9541 -4.9541 -4.7824 -4.7824 -4.1869 -4.1869 -4.0570 -4.0570 -3.9501 -3.9501 -3.8016 -3.8016 1.7902 1.7902 2.2427 2.2427 2.8642 2.8642 3.2247 3.2247 4.0486 4.0486 4.5112 4.5112 5.0335 5.0335 5.4949 5.4949 6.0538 6.0538 6.3900 6.3900 8.1125 8.1125 9.8573 9.8573 10.5797 10.5797 11.2916 11.2916 k = 0.3274 0.1177 0.7335 ( 4270 PWs) bands (ev): -20.1019 -20.1019 -20.0856 -20.0856 -5.9674 -5.9674 -5.7072 -5.7072 -4.9638 -4.9638 -4.7879 -4.7879 -4.1974 -4.1974 -4.0634 -4.0634 -3.9523 -3.9523 -3.8001 -3.8001 1.7103 1.7103 2.2889 2.2889 2.9236 2.9236 3.2143 3.2143 4.0738 4.0738 4.4355 4.4355 5.0427 5.0427 5.4374 5.4374 6.0131 6.0131 6.4274 6.4274 8.1452 8.1452 9.8164 9.8164 10.5560 10.5560 11.2170 11.2170 k = 0.3214 0.1248 0.7521 ( 4270 PWs) bands (ev): -20.1002 -20.1002 -20.0839 -20.0839 -5.9367 -5.9367 -5.7109 -5.7109 -4.9731 -4.9731 -4.7932 -4.7932 -4.2072 -4.2072 -4.0695 -4.0695 -3.9540 -3.9540 -3.7986 -3.7986 1.6342 1.6342 2.3369 2.3369 2.9788 2.9788 3.2123 3.2123 4.0902 4.0902 4.3676 4.3676 5.0511 5.0511 5.3781 5.3781 5.9682 5.9682 6.4662 6.4662 8.1788 8.1788 9.7790 9.7790 10.5354 10.5354 11.1459 11.1459 k = 0.3155 0.1319 0.7707 ( 4268 PWs) bands (ev): -20.0985 -20.0985 -20.0823 -20.0823 -5.9073 -5.9073 -5.7143 -5.7143 -4.9822 -4.9822 -4.7984 -4.7984 -4.2163 -4.2163 -4.0752 -4.0752 -3.9555 -3.9555 -3.7972 -3.7972 1.5625 1.5625 2.3865 2.3865 3.0227 3.0227 3.2250 3.2250 4.0879 4.0879 4.3176 4.3176 5.0575 5.0575 5.3190 5.3190 5.9209 5.9209 6.5046 6.5046 8.2123 8.2123 9.7458 9.7458 10.5180 10.5180 11.0787 11.0787 k = 0.3095 0.1390 0.7894 ( 4268 PWs) bands (ev): -20.0970 -20.0970 -20.0809 -20.0809 -5.8795 -5.8795 -5.7174 -5.7174 -4.9908 -4.9908 -4.8032 -4.8032 -4.2246 -4.2246 -4.0807 -4.0807 -3.9566 -3.9566 -3.7959 -3.7959 1.4957 1.4957 2.4374 2.4374 3.0485 3.0485 3.2586 3.2586 4.0562 4.0562 4.2965 4.2965 5.0589 5.0589 5.2638 5.2638 5.8721 5.8721 6.5416 6.5416 8.2448 8.2448 9.7170 9.7170 10.5038 10.5038 11.0155 11.0155 k = 0.3036 0.1461 0.8080 ( 4264 PWs) bands (ev): -20.0956 -20.0956 -20.0795 -20.0795 -5.8538 -5.8538 -5.7201 -5.7201 -4.9989 -4.9989 -4.8077 -4.8077 -4.2323 -4.2323 -4.0857 -4.0857 -3.9574 -3.9574 -3.7948 -3.7948 1.4342 1.4342 2.4896 2.4896 3.0581 3.0581 3.3108 3.3108 3.9995 3.9995 4.3000 4.3000 5.0482 5.0482 5.2204 5.2204 5.8226 5.8226 6.5766 6.5766 8.2755 8.2755 9.6930 9.6930 10.4929 10.4929 10.9564 10.9564 k = 0.2976 0.1532 0.8266 ( 4260 PWs) bands (ev): -20.0943 -20.0943 -20.0782 -20.0782 -5.8303 -5.8303 -5.7221 -5.7221 -5.0065 -5.0065 -4.8118 -4.8118 -4.2391 -4.2391 -4.0904 -4.0904 -3.9581 -3.9581 -3.7938 -3.7938 1.3784 1.3784 2.5426 2.5426 3.0584 3.0584 3.3737 3.3737 3.9308 3.9308 4.3154 4.3154 5.0170 5.0170 5.1982 5.1982 5.7728 5.7728 6.6092 6.6092 8.3036 8.3036 9.6738 9.6738 10.4853 10.4853 10.9015 10.9015 k = 0.2917 0.1603 0.8453 ( 4262 PWs) bands (ev): -20.0932 -20.0932 -20.0771 -20.0771 -5.8097 -5.8097 -5.7233 -5.7233 -5.0134 -5.0134 -4.8155 -4.8155 -4.2452 -4.2452 -4.0945 -4.0945 -3.9586 -3.9586 -3.7929 -3.7929 1.3285 1.3285 2.5960 2.5960 3.0548 3.0548 3.4412 3.4412 3.8585 3.8585 4.3346 4.3346 4.9671 4.9671 5.1966 5.1966 5.7232 5.7232 6.6388 6.6388 8.3286 8.3286 9.6591 9.6591 10.4810 10.4810 10.8509 10.8509 k = 0.2857 0.1673 0.8639 ( 4258 PWs) bands (ev): -20.0922 -20.0922 -20.0761 -20.0761 -5.7925 -5.7925 -5.7232 -5.7232 -5.0196 -5.0196 -4.8188 -4.8188 -4.2505 -4.2505 -4.0982 -4.0982 -3.9589 -3.9589 -3.7922 -3.7922 1.2848 1.2848 2.6490 2.6490 3.0500 3.0500 3.5090 3.5090 3.7872 3.7872 4.3539 4.3539 4.9082 4.9082 5.2074 5.2074 5.6744 5.6744 6.6652 6.6652 8.3503 8.3503 9.6487 9.6487 10.4798 10.4798 10.8045 10.8045 k = 0.2798 0.1744 0.8825 ( 4262 PWs) bands (ev): -20.0913 -20.0913 -20.0753 -20.0753 -5.7793 -5.7793 -5.7214 -5.7214 -5.0250 -5.0250 -4.8216 -4.8216 -4.2550 -4.2550 -4.1014 -4.1014 -3.9592 -3.9592 -3.7916 -3.7916 1.2475 1.2475 2.7005 2.7005 3.0454 3.0454 3.5725 3.5725 3.7214 3.7214 4.3714 4.3714 4.8475 4.8475 5.2251 5.2251 5.6268 5.6268 6.6881 6.6881 8.3683 8.3683 9.6420 9.6420 10.4815 10.4815 10.7627 10.7627 k = 0.2738 0.1815 0.9012 ( 4260 PWs) bands (ev): -20.0906 -20.0906 -20.0746 -20.0746 -5.7702 -5.7702 -5.7180 -5.7180 -5.0295 -5.0295 -4.8240 -4.8240 -4.2587 -4.2587 -4.1040 -4.1040 -3.9594 -3.9594 -3.7911 -3.7911 1.2167 1.2167 2.7491 2.7491 3.0416 3.0416 3.6113 3.6113 3.6812 3.6812 4.3857 4.3857 4.7897 4.7897 5.2469 5.2469 5.5811 5.5811 6.7072 6.7072 8.3827 8.3827 9.6381 9.6381 10.4857 10.4857 10.7258 10.7258 k = 0.2679 0.1886 0.9198 ( 4258 PWs) bands (ev): -20.0900 -20.0900 -20.0740 -20.0740 -5.7648 -5.7648 -5.7134 -5.7134 -5.0331 -5.0331 -4.8258 -4.8258 -4.2616 -4.2616 -4.1061 -4.1061 -3.9595 -3.9595 -3.7907 -3.7907 1.1926 1.1926 2.7923 2.7923 3.0392 3.0392 3.5807 3.5807 3.7109 3.7109 4.3962 4.3962 4.7388 4.7388 5.2715 5.2715 5.5382 5.5382 6.7222 6.7222 8.3937 8.3937 9.6363 9.6363 10.4919 10.4919 10.6943 10.6943 k = 0.2619 0.1957 0.9384 ( 4256 PWs) bands (ev): -20.0896 -20.0896 -20.0736 -20.0736 -5.7620 -5.7620 -5.7091 -5.7091 -5.0357 -5.0357 -4.8271 -4.8271 -4.2637 -4.2637 -4.1076 -4.1076 -3.9596 -3.9596 -3.7904 -3.7904 1.1753 1.1753 2.8271 2.8271 3.0382 3.0382 3.5393 3.5393 3.7516 3.7516 4.4026 4.4026 4.6988 4.6988 5.2967 5.2967 5.4999 5.4999 6.7331 6.7331 8.4013 8.4013 9.6357 9.6357 10.4987 10.4987 10.6693 10.6693 k = 0.2560 0.2028 0.9571 ( 4256 PWs) bands (ev): -20.0894 -20.0894 -20.0734 -20.0734 -5.7606 -5.7606 -5.7061 -5.7061 -5.0372 -5.0372 -4.8279 -4.8279 -4.2649 -4.2649 -4.1085 -4.1085 -3.9596 -3.9596 -3.7903 -3.7903 1.1649 1.1649 2.8499 2.8499 3.0382 3.0382 3.5105 3.5105 3.7799 3.7799 4.4056 4.4056 4.6732 4.6732 5.3185 5.3185 5.4702 5.4702 6.7397 6.7397 8.4058 8.4058 9.6357 9.6357 10.5045 10.5045 10.6528 10.6528 k = 0.2500 0.2099 0.9757 ( 4256 PWs) bands (ev): -20.0893 -20.0893 -20.0733 -20.0733 -5.7602 -5.7602 -5.7050 -5.7050 -5.0378 -5.0378 -4.8282 -4.8282 -4.2653 -4.2653 -4.1088 -4.1088 -3.9596 -3.9596 -3.7902 -3.7902 1.1614 1.1614 2.8579 2.8579 3.0384 3.0384 3.5002 3.5002 3.7899 3.7899 4.4063 4.4063 4.6644 4.6644 5.3281 5.3281 5.4579 5.4579 6.7419 6.7419 8.4073 8.4073 9.6357 9.6357 10.5068 10.5068 10.6469 10.6469 k = 0.1762-0.2099 0.9757 ( 4248 PWs) bands (ev): -20.0903 -20.0903 -20.0777 -20.0777 -5.9232 -5.9232 -5.6195 -5.6195 -4.9867 -4.9867 -4.8486 -4.8486 -4.1940 -4.1940 -4.0975 -4.0975 -3.8924 -3.8924 -3.8728 -3.8728 1.2683 1.2683 2.7300 2.7300 3.0506 3.0506 3.3578 3.3578 3.8567 3.8567 4.3854 4.3854 4.8812 4.8812 5.1984 5.1984 5.5401 5.5401 6.6813 6.6813 8.7825 8.7825 9.4133 9.4133 10.0452 10.0452 11.1986 11.1986 k = 0.1820-0.2168 0.9575 ( 4254 PWs) bands (ev): -20.0910 -20.0910 -20.0789 -20.0789 -5.9401 -5.9401 -5.6257 -5.6257 -4.9799 -4.9799 -4.8438 -4.8438 -4.1883 -4.1883 -4.0921 -4.0921 -3.8893 -3.8893 -3.8703 -3.8703 1.3127 1.3127 2.6742 2.6742 3.0446 3.0446 3.2973 3.2973 3.9342 3.9342 4.3719 4.3719 4.9342 4.9342 5.1791 5.1791 5.5866 5.5866 6.6397 6.6397 8.7449 8.7449 9.4531 9.4531 10.0576 10.0576 11.1865 11.1865 k = 0.1878-0.2237 0.9393 ( 4253 PWs) bands (ev): -20.0918 -20.0918 -20.0802 -20.0802 -5.9590 -5.9590 -5.6317 -5.6317 -4.9722 -4.9722 -4.8383 -4.8383 -4.1820 -4.1820 -4.0862 -4.0862 -3.8869 -3.8869 -3.8674 -3.8674 1.3630 1.3630 2.6176 2.6176 3.0364 3.0364 3.2392 3.2392 4.0079 4.0079 4.3613 4.3613 4.9863 4.9863 5.1651 5.1651 5.6345 5.6345 6.5948 6.5948 8.7040 8.7040 9.4985 9.4985 10.0744 10.0744 11.1770 11.1770 k = 0.1936-0.2307 0.9211 ( 4255 PWs) bands (ev): -20.0927 -20.0927 -20.0817 -20.0817 -5.9798 -5.9798 -5.6376 -5.6376 -4.9639 -4.9639 -4.8322 -4.8322 -4.1751 -4.1751 -4.0798 -4.0798 -3.8852 -3.8852 -3.8643 -3.8643 1.4190 1.4190 2.5610 2.5610 3.0205 3.0205 3.1898 3.1898 4.0711 4.0711 4.3599 4.3599 5.0316 5.0316 5.1610 5.1610 5.6835 5.6835 6.5470 6.5470 8.6603 8.6603 9.5490 9.5490 10.0955 10.0955 11.1702 11.1702 k = 0.1995-0.2376 0.9029 ( 4260 PWs) bands (ev): -20.0938 -20.0938 -20.0833 -20.0833 -6.0026 -6.0026 -5.6432 -5.6432 -4.9548 -4.9548 -4.8255 -4.8255 -4.1675 -4.1675 -4.0730 -4.0730 -3.8839 -3.8839 -3.8611 -3.8611 1.4803 1.4803 2.5050 2.5050 2.9897 2.9897 3.1571 3.1571 4.1134 4.1134 4.3780 4.3780 5.0594 5.0594 5.1766 5.1766 5.7332 5.7332 6.4970 6.4970 8.6147 8.6147 9.6042 9.6042 10.1208 10.1208 11.1661 11.1661 k = 0.2053-0.2445 0.8847 ( 4256 PWs) bands (ev): -20.0949 -20.0949 -20.0850 -20.0850 -6.0270 -6.0270 -5.6486 -5.6486 -4.9450 -4.9450 -4.8182 -4.8182 -4.1593 -4.1593 -4.0656 -4.0656 -3.8827 -3.8827 -3.8581 -3.8581 1.5467 1.5467 2.4498 2.4498 2.9426 2.9426 3.1427 3.1427 4.1280 4.1280 4.4225 4.4225 5.0657 5.0657 5.2147 5.2147 5.7833 5.7833 6.4455 6.4455 8.5678 8.5678 9.6636 9.6636 10.1500 10.1500 11.1647 11.1647 k = 0.2111-0.2514 0.8665 ( 4257 PWs) bands (ev): -20.0962 -20.0962 -20.0868 -20.0868 -6.0529 -6.0529 -5.6538 -5.6538 -4.9346 -4.9346 -4.8104 -4.8104 -4.1504 -4.1504 -4.0578 -4.0578 -3.8817 -3.8817 -3.8553 -3.8553 1.6177 1.6177 2.3957 2.3957 2.8858 2.8858 3.1407 3.1407 4.1206 4.1206 4.4877 4.4877 5.0610 5.0610 5.2639 5.2639 5.8330 5.8330 6.3931 6.3931 8.5205 8.5205 9.7268 9.7268 10.1831 10.1831 11.1659 11.1659 k = 0.2169-0.2584 0.8483 ( 4257 PWs) bands (ev): -20.0976 -20.0976 -20.0887 -20.0887 -6.0802 -6.0802 -5.6587 -5.6587 -4.9237 -4.9237 -4.8021 -4.8021 -4.1410 -4.1410 -4.0495 -4.0495 -3.8807 -3.8807 -3.8529 -3.8529 1.6929 1.6929 2.3427 2.3427 2.8254 2.8254 3.1457 3.1457 4.1007 4.1007 4.5637 4.5637 5.0527 5.0527 5.3166 5.3166 5.8818 5.8818 6.3407 6.3407 8.4736 8.4736 9.7934 9.7934 10.2198 10.2198 11.1697 11.1697 k = 0.2227-0.2653 0.8301 ( 4258 PWs) bands (ev): -20.0991 -20.0991 -20.0906 -20.0906 -6.1087 -6.1087 -5.6635 -5.6635 -4.9123 -4.9123 -4.7935 -4.7935 -4.1308 -4.1308 -4.0408 -4.0408 -3.8796 -3.8796 -3.8507 -3.8507 1.7715 1.7715 2.2909 2.2909 2.7650 2.7650 3.1546 3.1546 4.0746 4.0746 4.6440 4.6440 5.0432 5.0432 5.3696 5.3696 5.9282 5.9282 6.2899 6.2899 8.4278 8.4278 9.8629 9.8629 10.2598 10.2598 11.1760 11.1760 k = 0.2285-0.2722 0.8119 ( 4260 PWs) bands (ev): -20.1007 -20.1007 -20.0927 -20.0927 -6.1381 -6.1381 -5.6680 -5.6680 -4.9005 -4.9005 -4.7846 -4.7846 -4.1201 -4.1201 -4.0316 -4.0316 -3.8785 -3.8785 -3.8489 -3.8489 1.8527 1.8527 2.2404 2.2404 2.7067 2.7067 3.1662 3.1662 4.0452 4.0452 4.7250 4.7250 5.0339 5.0339 5.4216 5.4216 5.9698 5.9698 6.2434 6.2434 8.3840 8.3840 9.9351 9.9351 10.3030 10.3030 11.1847 11.1847 k = 0.2343-0.2791 0.7937 ( 4260 PWs) bands (ev): -20.1024 -20.1024 -20.0948 -20.0948 -6.1683 -6.1683 -5.6724 -5.6724 -4.8883 -4.8883 -4.7755 -4.7755 -4.1087 -4.1087 -4.0220 -4.0220 -3.8773 -3.8773 -3.8474 -3.8474 1.9347 1.9347 2.1915 2.1915 2.6527 2.6527 3.1798 3.1798 4.0142 4.0142 4.8037 4.8037 5.0258 5.0258 5.4722 5.4722 6.0003 6.0003 6.2074 6.2074 8.3431 8.3431 10.0094 10.0094 10.3488 10.3488 11.1957 11.1957 k = 0.2402-0.2861 0.7755 ( 4260 PWs) bands (ev): -20.1041 -20.1041 -20.0969 -20.0969 -6.1990 -6.1990 -5.6767 -5.6767 -4.8760 -4.8760 -4.7663 -4.7663 -4.0967 -4.0967 -4.0119 -4.0119 -3.8760 -3.8760 -3.8461 -3.8461 2.0140 2.0140 2.1452 2.1452 2.6056 2.6056 3.1948 3.1948 3.9825 3.9825 4.8755 4.8755 5.0222 5.0222 5.5208 5.5208 6.0081 6.0081 6.1939 6.1939 8.3059 8.3059 10.0854 10.0854 10.3968 10.3968 11.2089 11.2089 k = 0.2460-0.2930 0.7573 ( 4266 PWs) bands (ev): -20.1058 -20.1058 -20.0991 -20.0991 -6.2301 -6.2301 -5.6809 -5.6809 -4.8634 -4.8634 -4.7571 -4.7571 -4.0842 -4.0842 -4.0014 -4.0014 -3.8747 -3.8747 -3.8450 -3.8450 2.0686 2.0686 2.1190 2.1190 2.5700 2.5700 3.2111 3.2111 3.9510 3.9510 4.9279 4.9279 5.0343 5.0343 5.5671 5.5671 5.9881 5.9881 6.2083 6.2083 8.2734 8.2734 10.1626 10.1626 10.4463 10.4463 11.2243 11.2243 k = 0.2518-0.2999 0.7391 ( 4258 PWs) bands (ev): -20.1077 -20.1077 -20.1013 -20.1013 -6.2614 -6.2614 -5.6850 -5.6850 -4.8508 -4.8508 -4.7479 -4.7479 -4.0711 -4.0711 -3.9904 -3.9904 -3.8732 -3.8732 -3.8440 -3.8440 2.0402 2.0402 2.1631 2.1631 2.5540 2.5540 3.2283 3.2283 3.9201 3.9201 4.9450 4.9450 5.0767 5.0767 5.6106 5.6106 5.9515 5.9515 6.2400 6.2400 8.2465 8.2465 10.2407 10.2407 10.4968 10.4968 11.2418 11.2418 k = 0.2576-0.3068 0.7209 ( 4261 PWs) bands (ev): -20.1095 -20.1095 -20.1036 -20.1036 -6.2926 -6.2926 -5.6890 -5.6890 -4.8382 -4.8382 -4.7389 -4.7389 -4.0576 -4.0576 -3.9792 -3.9792 -3.8716 -3.8716 -3.8431 -3.8431 1.9964 1.9964 2.1984 2.1984 2.5687 2.5687 3.2462 3.2462 3.8902 3.8902 4.9407 4.9407 5.1348 5.1348 5.6499 5.6499 5.9102 5.9102 6.2783 6.2783 8.2260 8.2260 10.3188 10.3188 10.5473 10.5473 11.2612 11.2612 k = 0.2634-0.3138 0.7027 ( 4259 PWs) bands (ev): -20.1114 -20.1114 -20.1058 -20.1058 -6.3236 -6.3236 -5.6930 -5.6930 -4.8257 -4.8257 -4.7301 -4.7301 -4.0437 -4.0437 -3.9676 -3.9676 -3.8701 -3.8701 -3.8421 -3.8421 1.9518 1.9518 2.2059 2.2059 2.6184 2.6184 3.2648 3.2648 3.8619 3.8619 4.9291 4.9291 5.1935 5.1935 5.6822 5.6822 5.8716 5.8716 6.3187 6.3187 8.2130 8.2130 10.3963 10.3963 10.5970 10.5970 11.2821 11.2821 k = 0.2692-0.3207 0.6845 ( 4257 PWs) bands (ev): -20.1133 -20.1133 -20.1080 -20.1080 -6.3543 -6.3543 -5.6969 -5.6969 -4.8134 -4.8134 -4.7217 -4.7217 -4.0294 -4.0294 -3.9558 -3.9558 -3.8685 -3.8685 -3.8409 -3.8409 1.9077 1.9077 2.1927 2.1927 2.6944 2.6944 3.2837 3.2837 3.8355 3.8355 4.9140 4.9140 5.2481 5.2481 5.6998 5.6998 5.8452 5.8452 6.3592 6.3592 8.2083 8.2083 10.4721 10.4721 10.6452 10.6452 11.3039 11.3039 k = 0.2750-0.3276 0.6663 ( 4256 PWs) bands (ev): -20.1151 -20.1151 -20.1103 -20.1103 -6.3845 -6.3845 -5.7007 -5.7007 -4.8013 -4.8013 -4.7135 -4.7135 -4.0150 -4.0150 -3.9439 -3.9439 -3.8671 -3.8671 -3.8392 -3.8392 1.8642 1.8642 2.1690 2.1690 2.7856 2.7856 3.3029 3.3029 3.8115 3.8115 4.8966 4.8966 5.2971 5.2971 5.6923 5.6923 5.8422 5.8422 6.3989 6.3989 8.2127 8.2127 10.5448 10.5448 10.6912 10.6912 11.3254 11.3254 k = 0.2809-0.3345 0.6481 ( 4257 PWs) bands (ev): -20.1170 -20.1170 -20.1125 -20.1125 -6.4141 -6.4141 -5.7045 -5.7045 -4.7895 -4.7895 -4.7058 -4.7058 -4.0005 -4.0005 -3.9320 -3.9320 -3.8658 -3.8658 -3.8370 -3.8370 1.8215 1.8215 2.1414 2.1414 2.8844 2.8844 3.3224 3.3224 3.7907 3.7907 4.8774 4.8774 5.3397 5.3397 5.6638 5.6638 5.8584 5.8584 6.4371 6.4371 8.2268 8.2268 10.6124 10.6124 10.7349 10.7349 11.3447 11.3447 k = 0.2867-0.3415 0.6299 ( 4261 PWs) bands (ev): -20.1189 -20.1189 -20.1146 -20.1146 -6.4429 -6.4429 -5.7082 -5.7082 -4.7781 -4.7781 -4.6984 -4.6984 -3.9861 -3.9861 -3.9203 -3.9203 -3.8646 -3.8646 -3.8339 -3.8339 1.7799 1.7799 2.1130 2.1130 2.9862 2.9862 3.3425 3.3425 3.7736 3.7736 4.8565 4.8565 5.3759 5.3759 5.6268 5.6268 5.8814 5.8814 6.4736 6.4736 8.2511 8.2511 10.6722 10.6722 10.7763 10.7763 11.3591 11.3591 k = 0.2925-0.3484 0.6117 ( 4257 PWs) bands (ev): -20.1207 -20.1207 -20.1167 -20.1167 -6.4707 -6.4707 -5.7118 -5.7118 -4.7672 -4.7672 -4.6916 -4.6916 -3.9720 -3.9720 -3.9090 -3.9090 -3.8635 -3.8635 -3.8299 -3.8299 1.7394 1.7394 2.0853 2.0853 3.0868 3.0868 3.3647 3.3647 3.7611 3.7611 4.8340 4.8340 5.4058 5.4058 5.5876 5.5876 5.9046 5.9046 6.5083 6.5083 8.2857 8.2857 10.7210 10.7210 10.8155 10.8155 11.3650 11.3650 k = 0.2983-0.3553 0.5936 ( 4257 PWs) bands (ev): -20.1225 -20.1225 -20.1188 -20.1188 -6.4976 -6.4976 -5.7153 -5.7153 -4.7568 -4.7568 -4.6852 -4.6852 -3.9583 -3.9583 -3.8987 -3.8987 -3.8620 -3.8620 -3.8249 -3.8249 1.7002 1.7002 2.0591 2.0591 3.1795 3.1795 3.3929 3.3929 3.7544 3.7544 4.8099 4.8099 5.4294 5.4294 5.5490 5.5490 5.9252 5.9252 6.5408 6.5408 8.3307 8.3307 10.7577 10.7577 10.8501 10.8501 11.3584 11.3584 k = 0.3041-0.3622 0.5754 ( 4249 PWs) bands (ev): -20.1242 -20.1242 -20.1208 -20.1208 -6.5233 -6.5233 -5.7188 -5.7188 -4.7469 -4.7469 -4.6792 -4.6792 -3.9452 -3.9452 -3.8898 -3.8898 -3.8596 -3.8596 -3.8188 -3.8188 1.6626 1.6626 2.0347 2.0347 3.2529 3.2529 3.4358 3.4358 3.7554 3.7554 4.7845 4.7845 5.4465 5.4465 5.5128 5.5128 5.9421 5.9421 6.5713 6.5713 8.3855 8.3855 10.7831 10.7831 10.8755 10.8755 11.3361 11.3361 k = 0.3099-0.3692 0.5572 ( 4248 PWs) bands (ev): -20.1259 -20.1259 -20.1227 -20.1227 -6.5478 -6.5478 -5.7221 -5.7221 -4.7376 -4.7376 -4.6738 -4.6738 -3.9331 -3.9331 -3.8834 -3.8834 -3.8554 -3.8554 -3.8116 -3.8116 1.6267 1.6267 2.0123 2.0123 3.2973 3.2973 3.4993 3.4993 3.7670 3.7670 4.7579 4.7579 5.4519 5.4519 5.4852 5.4852 5.9545 5.9545 6.5995 6.5995 8.4497 8.4497 10.7992 10.7992 10.8871 10.8871 11.2984 11.2984 k = 0.3157-0.3761 0.5390 ( 4256 PWs) bands (ev): -20.1275 -20.1275 -20.1245 -20.1245 -6.5710 -6.5710 -5.7252 -5.7252 -4.7290 -4.7290 -4.6688 -4.6688 -3.9220 -3.9220 -3.8797 -3.8797 -3.8488 -3.8488 -3.8036 -3.8036 1.5925 1.5925 1.9919 1.9919 3.3187 3.3187 3.5708 3.5708 3.7949 3.7949 4.7302 4.7302 5.4315 5.4315 5.4812 5.4812 5.9624 5.9624 6.6256 6.6256 8.5224 8.5224 10.8075 10.8075 10.8836 10.8836 11.2484 11.2484 k = 0.3216-0.3830 0.5208 ( 4256 PWs) bands (ev): -20.1290 -20.1290 -20.1262 -20.1262 -6.5927 -6.5927 -5.7283 -5.7283 -4.7210 -4.7210 -4.6642 -4.6642 -3.9122 -3.9122 -3.8781 -3.8781 -3.8405 -3.8405 -3.7948 -3.7948 1.5604 1.5604 1.9735 1.9735 3.3278 3.3278 3.6316 3.6316 3.8466 3.8466 4.7018 4.7018 5.4018 5.4018 5.4847 5.4847 5.9657 5.9657 6.6495 6.6495 8.6023 8.6023 10.8089 10.8089 10.8678 10.8678 11.1899 11.1899 k = 0.3274-0.3899 0.5026 ( 4258 PWs) bands (ev): -20.1304 -20.1304 -20.1278 -20.1278 -6.6130 -6.6130 -5.7311 -5.7311 -4.7136 -4.7136 -4.6600 -4.6600 -3.9036 -3.9036 -3.8775 -3.8775 -3.8314 -3.8314 -3.7856 -3.7856 1.5304 1.5304 1.9570 1.9570 3.3302 3.3302 3.6747 3.6747 3.9224 3.9224 4.6730 4.6730 5.3726 5.3726 5.4866 5.4866 5.9648 5.9648 6.6712 6.6712 8.6883 8.6883 10.8028 10.8028 10.8453 10.8453 11.1263 11.1263 k = 0.3332-0.3969 0.4844 ( 4254 PWs) bands (ev): -20.1317 -20.1317 -20.1293 -20.1293 -6.6318 -6.6318 -5.7338 -5.7338 -4.7070 -4.7070 -4.6563 -4.6563 -3.8964 -3.8964 -3.8774 -3.8774 -3.8221 -3.8221 -3.7762 -3.7762 1.5027 1.5027 1.9423 1.9423 3.3288 3.3288 3.7058 3.7058 4.0129 4.0129 4.6440 4.6440 5.3451 5.3451 5.4860 5.4860 5.9600 5.9600 6.6908 6.6908 8.7788 8.7788 10.7864 10.7864 10.8237 10.8237 11.0605 11.0605 k = 0.3390-0.4038 0.4662 ( 4258 PWs) bands (ev): -20.1330 -20.1330 -20.1307 -20.1307 -6.6489 -6.6489 -5.7362 -5.7362 -4.7010 -4.7010 -4.6530 -4.6530 -3.8907 -3.8907 -3.8773 -3.8773 -3.8128 -3.8128 -3.7669 -3.7669 1.4773 1.4773 1.9293 1.9293 3.3250 3.3250 3.7314 3.7314 4.1091 4.1091 4.6153 4.6153 5.3197 5.3197 5.4829 5.4829 5.9518 5.9518 6.7084 6.7084 8.8722 8.8722 10.7596 10.7596 10.8072 10.8072 10.9950 10.9950 k = 0.3448-0.4107 0.4480 ( 4262 PWs) bands (ev): -20.1341 -20.1341 -20.1320 -20.1320 -6.6644 -6.6644 -5.7385 -5.7385 -4.6957 -4.6957 -4.6500 -4.6500 -3.8867 -3.8867 -3.8766 -3.8766 -3.8039 -3.8039 -3.7580 -3.7580 1.4543 1.4543 1.9180 1.9180 3.3200 3.3200 3.7545 3.7545 4.2057 4.2057 4.5874 4.5874 5.2964 5.2964 5.4775 5.4775 5.9409 5.9409 6.7238 6.7238 8.9666 8.9666 10.7285 10.7285 10.7929 10.7929 10.9315 10.9315 k = 0.3506-0.4176 0.4298 ( 4259 PWs) bands (ev): -20.1351 -20.1351 -20.1331 -20.1331 -6.6782 -6.6782 -5.7405 -5.7405 -4.6911 -4.6911 -4.6474 -4.6474 -3.8846 -3.8846 -3.8749 -3.8749 -3.7956 -3.7956 -3.7496 -3.7496 1.4339 1.4339 1.9082 1.9082 3.3145 3.3145 3.7761 3.7761 4.2995 4.2995 4.5609 4.5609 5.2752 5.2752 5.4700 5.4700 5.9280 5.9280 6.7373 6.7373 9.0600 9.0600 10.6975 10.6975 10.7787 10.7787 10.8717 10.8717 k = 0.3564-0.4246 0.4116 ( 4261 PWs) bands (ev): -20.1360 -20.1360 -20.1341 -20.1341 -6.6902 -6.6902 -5.7422 -5.7422 -4.6872 -4.6872 -4.6452 -4.6452 -3.8840 -3.8840 -3.8725 -3.8725 -3.7880 -3.7880 -3.7420 -3.7420 1.4161 1.4161 1.8999 1.8999 3.3089 3.3089 3.7963 3.7963 4.3874 4.3874 4.5372 4.5372 5.2561 5.2561 5.4608 5.4608 5.9140 5.9140 6.7487 6.7487 9.1501 9.1501 10.6685 10.6685 10.7646 10.7646 10.8169 10.8169 k = 0.3622-0.4315 0.3934 ( 4259 PWs) bands (ev): -20.1367 -20.1367 -20.1349 -20.1349 -6.7005 -6.7005 -5.7438 -5.7438 -4.6839 -4.6839 -4.6433 -4.6433 -3.8840 -3.8840 -3.8701 -3.8701 -3.7813 -3.7813 -3.7352 -3.7352 1.4009 1.4009 1.8931 1.8931 3.3036 3.3036 3.8148 3.8148 4.4620 4.4620 4.5221 4.5221 5.2391 5.2391 5.4501 5.4501 5.8998 5.8998 6.7583 6.7583 9.2341 9.2341 10.6428 10.6428 10.7507 10.7507 10.7689 10.7689 k = 0.3681-0.4384 0.3752 ( 4259 PWs) bands (ev): -20.1373 -20.1373 -20.1356 -20.1356 -6.7089 -6.7089 -5.7450 -5.7450 -4.6812 -4.6812 -4.6418 -4.6418 -3.8843 -3.8843 -3.8680 -3.8680 -3.7757 -3.7757 -3.7296 -3.7296 1.3885 1.3885 1.8875 1.8875 3.2991 3.2991 3.8312 3.8312 4.4808 4.4808 4.5569 4.5569 5.2242 5.2242 5.4387 5.4387 5.8864 5.8864 6.7661 6.7661 9.3093 9.3093 10.6210 10.6210 10.7251 10.7251 10.7411 10.7411 k = 0.3739-0.4453 0.3570 ( 4263 PWs) bands (ev): -20.1378 -20.1378 -20.1362 -20.1362 -6.7155 -6.7155 -5.7460 -5.7460 -4.6792 -4.6792 -4.6406 -4.6406 -3.8846 -3.8846 -3.8663 -3.8663 -3.7712 -3.7712 -3.7251 -3.7251 1.3787 1.3787 1.8833 1.8833 3.2953 3.2953 3.8449 3.8449 4.4685 4.4685 4.6146 4.6146 5.2116 5.2116 5.4276 5.4276 5.8748 5.8748 6.7721 6.7721 9.3725 9.3725 10.6035 10.6035 10.6924 10.6924 10.7305 10.7305 k = 0.3797-0.4523 0.3388 ( 4261 PWs) bands (ev): -20.1382 -20.1382 -20.1366 -20.1366 -6.7202 -6.7202 -5.7467 -5.7467 -4.6777 -4.6777 -4.6397 -4.6397 -3.8848 -3.8848 -3.8651 -3.8651 -3.7680 -3.7680 -3.7218 -3.7218 1.3717 1.3717 1.8803 1.8803 3.2925 3.2925 3.8553 3.8553 4.4571 4.4571 4.6614 4.6614 5.2018 5.2018 5.4180 5.4180 5.8657 5.8657 6.7763 6.7763 9.4205 9.4205 10.5907 10.5907 10.6681 10.6681 10.7229 10.7229 k = 0.3855-0.4592 0.3206 ( 4262 PWs) bands (ev): -20.1384 -20.1384 -20.1368 -20.1368 -6.7230 -6.7230 -5.7471 -5.7471 -4.6768 -4.6768 -4.6392 -4.6392 -3.8850 -3.8850 -3.8644 -3.8644 -3.7660 -3.7660 -3.7198 -3.7198 1.3675 1.3675 1.8785 1.8785 3.2908 3.2908 3.8617 3.8617 4.4497 4.4497 4.6914 4.6914 5.1953 5.1953 5.4115 5.4115 5.8600 5.8600 6.7788 6.7788 9.4506 9.4506 10.5830 10.5830 10.6532 10.6532 10.7182 10.7182 k = 0.3913-0.4661 0.3024 ( 4266 PWs) bands (ev): -20.1384 -20.1384 -20.1369 -20.1369 -6.7240 -6.7240 -5.7473 -5.7473 -4.6766 -4.6766 -4.6390 -4.6390 -3.8850 -3.8850 -3.8642 -3.8642 -3.7654 -3.7654 -3.7191 -3.7191 1.3661 1.3661 1.8779 1.8779 3.2902 3.2902 3.8639 3.8639 4.4472 4.4472 4.7017 4.7017 5.1930 5.1930 5.4092 5.4092 5.8581 5.8581 6.7797 6.7797 9.4609 9.4609 10.5803 10.5803 10.6482 10.6482 10.7166 10.7166 k = 0.6087 0.2903 0.0840 ( 4266 PWs) bands (ev): -20.1384 -20.1384 -20.1369 -20.1369 -6.7240 -6.7240 -5.7473 -5.7473 -4.6766 -4.6766 -4.6390 -4.6390 -3.8850 -3.8850 -3.8642 -3.8642 -3.7654 -3.7654 -3.7191 -3.7191 1.3661 1.3661 1.8779 1.8779 3.2902 3.2902 3.8639 3.8639 4.4472 4.4472 4.7017 4.7017 5.1930 5.1930 5.4092 5.4092 5.8581 5.8581 6.7797 6.7797 9.4609 9.4609 10.5803 10.5803 10.6482 10.6482 10.7166 10.7166 k = 0.5978 0.3033 0.0756 ( 4262 PWs) bands (ev): -20.1380 -20.1380 -20.1373 -20.1373 -6.7284 -6.7284 -5.7527 -5.7527 -4.6722 -4.6722 -4.6352 -4.6352 -3.8800 -3.8800 -3.8598 -3.8598 -3.7643 -3.7643 -3.7181 -3.7181 1.3515 1.3515 1.8751 1.8751 3.2969 3.2969 3.8331 3.8331 4.4467 4.4467 4.6962 4.6962 5.2083 5.2083 5.4089 5.4089 5.8839 5.8839 6.7921 6.7921 9.4687 9.4687 10.5538 10.5538 10.6179 10.6179 10.7610 10.7610 k = 0.5869 0.3162 0.0672 ( 4262 PWs) bands (ev): -20.1377 -20.1377 -20.1376 -20.1376 -6.7324 -6.7324 -5.7577 -5.7577 -4.6680 -4.6680 -4.6319 -4.6319 -3.8750 -3.8750 -3.8561 -3.8561 -3.7634 -3.7634 -3.7175 -3.7175 1.3377 1.3377 1.8726 1.8726 3.3043 3.3043 3.8036 3.8036 4.4464 4.4464 4.6914 4.6914 5.2219 5.2219 5.4086 5.4086 5.9092 5.9092 6.8039 6.8039 9.4762 9.4762 10.5266 10.5266 10.5865 10.5865 10.8039 10.8039 k = 0.5761 0.3292 0.0588 ( 4258 PWs) bands (ev): -20.1380 -20.1380 -20.1372 -20.1372 -6.7359 -6.7359 -5.7622 -5.7622 -4.6640 -4.6640 -4.6291 -4.6291 -3.8701 -3.8701 -3.8529 -3.8529 -3.7626 -3.7626 -3.7171 -3.7171 1.3249 1.3249 1.8704 1.8704 3.3124 3.3124 3.7758 3.7758 4.4461 4.4461 4.6873 4.6873 5.2338 5.2338 5.4082 5.4082 5.9334 5.9334 6.8150 6.8150 9.4832 9.4832 10.5002 10.5002 10.5555 10.5555 10.8443 10.8443 k = 0.5652 0.3421 0.0504 ( 4258 PWs) bands (ev): -20.1383 -20.1383 -20.1369 -20.1369 -6.7390 -6.7390 -5.7662 -5.7662 -4.6603 -4.6603 -4.6268 -4.6268 -3.8655 -3.8655 -3.8503 -3.8503 -3.7619 -3.7619 -3.7170 -3.7170 1.3135 1.3135 1.8685 1.8685 3.3207 3.3207 3.7501 3.7501 4.4459 4.4459 4.6839 4.6839 5.2441 5.2441 5.4079 5.4079 5.9558 5.9558 6.8249 6.8249 9.4896 9.4896 10.4756 10.4756 10.5260 10.5260 10.8816 10.8816 k = 0.5543 0.3550 0.0420 ( 4262 PWs) bands (ev): -20.1386 -20.1386 -20.1366 -20.1366 -6.7416 -6.7416 -5.7696 -5.7696 -4.6570 -4.6570 -4.6249 -4.6249 -3.8611 -3.8611 -3.8482 -3.8482 -3.7613 -3.7613 -3.7171 -3.7171 1.3035 1.3035 1.8670 1.8670 3.3292 3.3292 3.7267 3.7267 4.4457 4.4457 4.6811 4.6811 5.2526 5.2526 5.4075 5.4075 5.9760 5.9760 6.8337 6.8337 9.4953 9.4953 10.4535 10.4535 10.4992 10.4992 10.9155 10.9155 k = 0.5435 0.3680 0.0336 ( 4270 PWs) bands (ev): -20.1388 -20.1388 -20.1364 -20.1364 -6.7438 -6.7438 -5.7725 -5.7725 -4.6541 -4.6541 -4.6235 -4.6235 -3.8571 -3.8571 -3.8467 -3.8467 -3.7609 -3.7609 -3.7172 -3.7172 1.2952 1.2952 1.8657 1.8657 3.3372 3.3372 3.7064 3.7064 4.4456 4.4456 4.6788 4.6788 5.2596 5.2596 5.4071 5.4071 5.9934 5.9934 6.8412 6.8412 9.5001 9.5001 10.4347 10.4347 10.4759 10.4759 10.9453 10.9453 k = 0.5326 0.3809 0.0252 ( 4262 PWs) bands (ev): -20.1390 -20.1390 -20.1362 -20.1362 -6.7454 -6.7454 -5.7747 -5.7747 -4.6518 -4.6518 -4.6225 -4.6225 -3.8536 -3.8536 -3.8458 -3.8458 -3.7606 -3.7606 -3.7175 -3.7175 1.2885 1.2885 1.8647 1.8647 3.3444 3.3444 3.6896 3.6896 4.4455 4.4455 4.6771 4.6771 5.2650 5.2650 5.4068 5.4068 6.0074 6.0074 6.8471 6.8471 9.5040 9.5040 10.4196 10.4196 10.4569 10.4569 10.9703 10.9703 k = 0.5217 0.3939 0.0168 ( 4272 PWs) bands (ev): -20.1391 -20.1391 -20.1361 -20.1361 -6.7466 -6.7466 -5.7764 -5.7764 -4.6500 -4.6500 -4.6218 -4.6218 -3.8507 -3.8507 -3.8454 -3.8454 -3.7604 -3.7604 -3.7177 -3.7177 1.2837 1.2837 1.8640 1.8640 3.3500 3.3500 3.6770 3.6770 4.4455 4.4455 4.6758 4.6758 5.2688 5.2688 5.4066 5.4066 6.0178 6.0178 6.8514 6.8514 9.5068 9.5068 10.4086 10.4086 10.4428 10.4428 10.9895 10.9895 k = 0.5109 0.4068 0.0084 ( 4270 PWs) bands (ev): -20.1392 -20.1392 -20.1360 -20.1360 -6.7474 -6.7474 -5.7773 -5.7773 -4.6490 -4.6490 -4.6214 -4.6214 -3.8486 -3.8486 -3.8456 -3.8456 -3.7603 -3.7603 -3.7178 -3.7178 1.2808 1.2808 1.8636 1.8636 3.3537 3.3537 3.6691 3.6691 4.4455 4.4455 4.6751 4.6751 5.2711 5.2711 5.4064 5.4064 6.0241 6.0241 6.8540 6.8540 9.5085 9.5085 10.4018 10.4018 10.4342 10.4342 11.0017 11.0017 k = 0.5000 0.4198-0.0000 ( 4274 PWs) bands (ev): -20.1392 -20.1392 -20.1360 -20.1360 -6.7476 -6.7476 -5.7777 -5.7777 -4.6486 -4.6486 -4.6212 -4.6212 -3.8475 -3.8475 -3.8459 -3.8459 -3.7602 -3.7602 -3.7179 -3.7179 1.2798 1.2798 1.8635 1.8635 3.3550 3.3550 3.6664 3.6664 4.4455 4.4455 4.6749 4.6749 5.2718 5.2718 5.4063 5.4063 6.0262 6.0262 6.8549 6.8549 9.5090 9.5090 10.3996 10.3996 10.4313 10.4313 11.0059 11.0059 Writing output data file Rb2PtSe2.save init_run : 0.60s CPU 0.95s WALL ( 1 calls) electrons : 218.36s CPU 221.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.06s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 218.36s CPU 221.10s 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 : 0.13s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.06s WALL ( 350 calls) cegterg : 197.50s CPU 199.66s WALL ( 401 calls) Called by sum_band: Called by *egterg: h_psi : 142.23s CPU 144.07s WALL ( 7217 calls) s_psi : 4.47s CPU 4.56s WALL ( 7217 calls) g_psi : 0.26s CPU 0.24s WALL ( 6466 calls) cdiaghg : 52.16s CPU 52.82s WALL ( 6816 calls) cegterg:over : 5.87s CPU 5.92s WALL ( 6466 calls) cegterg:upda : 5.96s CPU 5.74s WALL ( 6466 calls) cegterg:last : 2.44s CPU 2.46s WALL ( 1218 calls) cdiaghg:chol : 3.15s CPU 3.02s WALL ( 6816 calls) cdiaghg:inve : 2.03s CPU 2.02s WALL ( 6816 calls) cdiaghg:para : 3.21s CPU 3.21s WALL ( 13632 calls) Called by h_psi: h_psi:vloc : 130.93s CPU 132.68s WALL ( 7217 calls) h_psi:vnl : 11.05s CPU 11.15s WALL ( 7217 calls) add_vuspsi : 5.33s CPU 5.33s WALL ( 7217 calls) General routines calbec : 5.67s CPU 5.80s WALL ( 7217 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 117.44s CPU 119.25s WALL ( 775688 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.18s CPU 0.29s WALL ( 700 calls) Parallel routines fft_scatter : 39.56s CPU 40.10s WALL ( 775711 calls) PWSCF : 3m55.30s CPU 4m17.93s WALL This run was terminated on: 21:15: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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