Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:56:46 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: ./Rb2NiF4.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 98 62 18 2043 1013 162 Max 99 63 19 2045 1032 164 Sum 3563 2247 663 73581 36859 5871 bravais-lattice index = 14 lattice parameter (alat) = 14.0559 a.u. unit-cell volume = 772.2134 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.055931 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.849115 celldm(5)= -0.849115 celldm(6)= 0.698231 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.698231 0.715873 0.000000 ) a(3) = ( -0.849115 -0.357936 0.388439 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.975356 1.287204 ) b(2) = ( 0.000000 1.396896 1.287204 ) b(3) = ( 0.000000 0.000000 2.574408 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 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 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 atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Ni 10.00 58.69340 Ni( 1.00) Rb 9.00 85.46780 Rb( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0000000 0.0000000 0.0234037), wk = 0.0029940 k( 3) = ( 0.0000000 0.0000000 0.0468074), wk = 0.0029940 k( 4) = ( 0.0000000 0.0000000 0.0702111), wk = 0.0029940 k( 5) = ( 0.0000000 0.0000000 0.0936149), wk = 0.0029940 k( 6) = ( 0.0000000 0.0000000 0.1170186), wk = 0.0029940 k( 7) = ( 0.0000000 0.0000000 0.1404223), wk = 0.0029940 k( 8) = ( 0.0000000 0.0000000 0.1638260), wk = 0.0029940 k( 9) = ( 0.0000000 0.0000000 0.1872297), wk = 0.0029940 k( 10) = ( 0.0000000 0.0000000 0.2106334), wk = 0.0029940 k( 11) = ( 0.0000000 0.0000000 0.2340371), wk = 0.0029940 k( 12) = ( 0.0000000 0.0000000 0.2574408), wk = 0.0029940 k( 13) = ( 0.0000000 0.0000000 0.2808445), wk = 0.0029940 k( 14) = ( 0.0000000 0.0000000 0.3042482), wk = 0.0029940 k( 15) = ( 0.0000000 0.0000000 0.3276520), wk = 0.0029940 k( 16) = ( 0.0000000 0.0000000 0.3510557), wk = 0.0029940 k( 17) = ( 0.0000000 0.0000000 0.3744594), wk = 0.0029940 k( 18) = ( 0.0000000 0.0000000 0.3978631), wk = 0.0029940 k( 19) = ( 0.0000000 0.0000000 0.4212668), wk = 0.0029940 k( 20) = ( 0.0000000 0.0000000 0.4446705), wk = 0.0029940 k( 21) = ( 0.0000000 0.0000000 0.4680742), wk = 0.0029940 k( 22) = ( 0.0000000 0.0000000 0.4914779), wk = 0.0029940 k( 23) = ( 0.0000000 0.0000000 0.5148816), wk = 0.0029940 k( 24) = ( 0.0000000 0.0000000 0.5382853), wk = 0.0029940 k( 25) = ( 0.0000000 0.0000000 0.5616891), wk = 0.0029940 k( 26) = ( 0.0000000 0.0000000 0.5850928), wk = 0.0029940 k( 27) = ( 0.0000000 0.0000000 0.6084965), wk = 0.0029940 k( 28) = ( 0.0000000 0.0000000 0.6319002), wk = 0.0029940 k( 29) = ( 0.0000000 0.0000000 0.6553039), wk = 0.0029940 k( 30) = ( 0.0000000 0.0000000 0.6787076), wk = 0.0029940 k( 31) = ( 0.0000000 0.0000000 0.7021113), wk = 0.0029940 k( 32) = ( 0.0000000 0.0000000 0.7255150), wk = 0.0029940 k( 33) = ( 0.0000000 0.0000000 0.7489187), wk = 0.0029940 k( 34) = ( 0.0000000 0.0000000 0.7723224), wk = 0.0029940 k( 35) = ( 0.0000000 0.0000000 0.7957262), wk = 0.0029940 k( 36) = ( 0.0000000 0.0000000 0.8191299), wk = 0.0029940 k( 37) = ( 0.0000000 0.0000000 0.8425336), wk = 0.0029940 k( 38) = ( 0.0000000 0.0000000 0.8659373), wk = 0.0029940 k( 39) = ( 0.0000000 0.0000000 0.8893410), wk = 0.0029940 k( 40) = ( 0.0000000 0.0000000 0.9127447), wk = 0.0029940 k( 41) = ( 0.0000000 0.0000000 0.9361484), wk = 0.0029940 k( 42) = ( 0.0000000 0.0000000 0.9595521), wk = 0.0029940 k( 43) = ( 0.0000000 0.0000000 0.9829558), wk = 0.0029940 k( 44) = ( 0.0000000 0.0000000 1.0063595), wk = 0.0029940 k( 45) = ( 0.0000000 0.0000000 1.0297633), wk = 0.0029940 k( 46) = ( 0.0000000 0.0000000 1.0531670), wk = 0.0029940 k( 47) = ( 0.0000000 0.0000000 1.0765707), wk = 0.0029940 k( 48) = ( 0.0000000 0.0000000 1.0999744), wk = 0.0029940 k( 49) = ( 0.0000000 0.0000000 1.1233781), wk = 0.0029940 k( 50) = ( 0.0000000 0.0000000 1.1467818), wk = 0.0029940 k( 51) = ( 0.0000000 0.0000000 1.1701855), wk = 0.0029940 k( 52) = ( 0.0000000 0.0000000 1.1935892), wk = 0.0029940 k( 53) = ( 0.0000000 0.0000000 1.2169929), wk = 0.0029940 k( 54) = ( 0.0000000 0.0000000 1.2403966), wk = 0.0029940 k( 55) = ( 0.0000000 0.0000000 1.2638004), wk = 0.0029940 k( 56) = ( 0.0000000 0.0000000 1.2872041), wk = 0.0029940 k( 57) = ( 0.0000000 0.0000000 1.2872041), wk = 0.0029940 k( 58) = ( -0.0088848 0.0210770 1.2872041), wk = 0.0029940 k( 59) = ( -0.0177696 0.0421541 1.2872041), wk = 0.0029940 k( 60) = ( -0.0266544 0.0632311 1.2872041), wk = 0.0029940 k( 61) = ( -0.0355393 0.0843081 1.2872041), wk = 0.0029940 k( 62) = ( -0.0444241 0.1053851 1.2872041), wk = 0.0029940 k( 63) = ( -0.0444241 0.1053851 1.2872041), wk = 0.0029940 k( 64) = ( -0.0507515 0.1203954 1.2709147), wk = 0.0029940 k( 65) = ( -0.0570790 0.1354057 1.2546252), wk = 0.0029940 k( 66) = ( -0.0634064 0.1504160 1.2383358), wk = 0.0029940 k( 67) = ( -0.0697339 0.1654263 1.2220464), wk = 0.0029940 k( 68) = ( -0.0760613 0.1804366 1.2057570), wk = 0.0029940 k( 69) = ( -0.0823887 0.1954468 1.1894675), wk = 0.0029940 k( 70) = ( -0.0887162 0.2104571 1.1731781), wk = 0.0029940 k( 71) = ( -0.0950436 0.2254674 1.1568887), wk = 0.0029940 k( 72) = ( -0.1013711 0.2404777 1.1405993), wk = 0.0029940 k( 73) = ( -0.1076985 0.2554880 1.1243099), wk = 0.0029940 k( 74) = ( -0.1140260 0.2704983 1.1080204), wk = 0.0029940 k( 75) = ( -0.1203534 0.2855086 1.0917310), wk = 0.0029940 k( 76) = ( -0.1266809 0.3005188 1.0754416), wk = 0.0029940 k( 77) = ( -0.1330083 0.3155291 1.0591522), wk = 0.0029940 k( 78) = ( -0.1393357 0.3305394 1.0428628), wk = 0.0029940 k( 79) = ( -0.1456632 0.3455497 1.0265733), wk = 0.0029940 k( 80) = ( -0.1519906 0.3605600 1.0102839), wk = 0.0029940 k( 81) = ( -0.1583181 0.3755703 0.9939945), wk = 0.0029940 k( 82) = ( -0.1646455 0.3905806 0.9777051), wk = 0.0029940 k( 83) = ( -0.1709730 0.4055908 0.9614157), wk = 0.0029940 k( 84) = ( -0.1773004 0.4206011 0.9451262), wk = 0.0029940 k( 85) = ( -0.1836278 0.4356114 0.9288368), wk = 0.0029940 k( 86) = ( -0.1899553 0.4506217 0.9125474), wk = 0.0029940 k( 87) = ( -0.1962827 0.4656320 0.8962580), wk = 0.0029940 k( 88) = ( -0.2026102 0.4806423 0.8799685), wk = 0.0029940 k( 89) = ( -0.2089376 0.4956526 0.8636791), wk = 0.0029940 k( 90) = ( -0.2152651 0.5106629 0.8473897), wk = 0.0029940 k( 91) = ( -0.2215925 0.5256731 0.8311003), wk = 0.0029940 k( 92) = ( -0.2279199 0.5406834 0.8148109), wk = 0.0029940 k( 93) = ( -0.2342474 0.5556937 0.7985214), wk = 0.0029940 k( 94) = ( -0.2405748 0.5707040 0.7822320), wk = 0.0029940 k( 95) = ( -0.2469023 0.5857143 0.7659426), wk = 0.0029940 k( 96) = ( -0.2532297 0.6007246 0.7496532), wk = 0.0029940 k( 97) = ( -0.2595572 0.6157349 0.7333637), wk = 0.0029940 k( 98) = ( -0.2658846 0.6307451 0.7170743), wk = 0.0029940 k( 99) = ( -0.2722120 0.6457554 0.7007849), wk = 0.0029940 k( 100) = ( -0.2722120 0.6457554 0.7007849), wk = 0.0029940 k( 101) = ( -0.2657308 0.6303803 0.6840996), wk = 0.0029940 k( 102) = ( -0.2592496 0.6150052 0.6674142), wk = 0.0029940 k( 103) = ( -0.2527683 0.5996301 0.6507288), wk = 0.0029940 k( 104) = ( -0.2462871 0.5842549 0.6340435), wk = 0.0029940 k( 105) = ( -0.2398058 0.5688798 0.6173581), wk = 0.0029940 k( 106) = ( -0.2333246 0.5535047 0.6006728), wk = 0.0029940 k( 107) = ( -0.2268434 0.5381295 0.5839874), wk = 0.0029940 k( 108) = ( -0.2203621 0.5227544 0.5673021), wk = 0.0029940 k( 109) = ( -0.2138809 0.5073793 0.5506167), wk = 0.0029940 k( 110) = ( -0.2073996 0.4920041 0.5339313), wk = 0.0029940 k( 111) = ( -0.2009184 0.4766290 0.5172460), wk = 0.0029940 k( 112) = ( -0.1944372 0.4612539 0.5005606), wk = 0.0029940 k( 113) = ( -0.1879559 0.4458788 0.4838753), wk = 0.0029940 k( 114) = ( -0.1814747 0.4305036 0.4671899), wk = 0.0029940 k( 115) = ( -0.1749935 0.4151285 0.4505046), wk = 0.0029940 k( 116) = ( -0.1685122 0.3997534 0.4338192), wk = 0.0029940 k( 117) = ( -0.1620310 0.3843782 0.4171339), wk = 0.0029940 k( 118) = ( -0.1555497 0.3690031 0.4004485), wk = 0.0029940 k( 119) = ( -0.1490685 0.3536280 0.3837632), wk = 0.0029940 k( 120) = ( -0.1425873 0.3382528 0.3670778), wk = 0.0029940 k( 121) = ( -0.1361060 0.3228777 0.3503924), wk = 0.0029940 k( 122) = ( -0.1296248 0.3075026 0.3337071), wk = 0.0029940 k( 123) = ( -0.1231435 0.2921275 0.3170217), wk = 0.0029940 k( 124) = ( -0.1166623 0.2767523 0.3003364), wk = 0.0029940 k( 125) = ( -0.1101811 0.2613772 0.2836510), wk = 0.0029940 k( 126) = ( -0.1036998 0.2460021 0.2669657), wk = 0.0029940 k( 127) = ( -0.0972186 0.2306269 0.2502803), wk = 0.0029940 k( 128) = ( -0.0907373 0.2152518 0.2335950), wk = 0.0029940 k( 129) = ( -0.0842561 0.1998767 0.2169096), wk = 0.0029940 k( 130) = ( -0.0777749 0.1845016 0.2002243), wk = 0.0029940 k( 131) = ( -0.0712936 0.1691264 0.1835389), wk = 0.0029940 k( 132) = ( -0.0648124 0.1537513 0.1668535), wk = 0.0029940 k( 133) = ( -0.0583311 0.1383762 0.1501682), wk = 0.0029940 k( 134) = ( -0.0518499 0.1230010 0.1334828), wk = 0.0029940 k( 135) = ( -0.0453687 0.1076259 0.1167975), wk = 0.0029940 k( 136) = ( -0.0388874 0.0922508 0.1001121), wk = 0.0029940 k( 137) = ( -0.0324062 0.0768757 0.0834268), wk = 0.0029940 k( 138) = ( -0.0259250 0.0615005 0.0667414), wk = 0.0029940 k( 139) = ( -0.0194437 0.0461254 0.0500561), wk = 0.0029940 k( 140) = ( -0.0129625 0.0307503 0.0333707), wk = 0.0029940 k( 141) = ( -0.0064812 0.0153751 0.0166854), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 144) = ( 0.0217391 0.0091639 -0.0000000), wk = 0.0029940 k( 145) = ( 0.0434783 0.0183278 -0.0000000), wk = 0.0029940 k( 146) = ( 0.0652174 0.0274918 -0.0000000), wk = 0.0029940 k( 147) = ( 0.0869565 0.0366557 -0.0000000), wk = 0.0029940 k( 148) = ( 0.1086957 0.0458196 -0.0000000), wk = 0.0029940 k( 149) = ( 0.1304348 0.0549835 -0.0000000), wk = 0.0029940 k( 150) = ( 0.1521739 0.0641475 -0.0000000), wk = 0.0029940 k( 151) = ( 0.1739130 0.0733114 -0.0000000), wk = 0.0029940 k( 152) = ( 0.1956522 0.0824753 -0.0000000), wk = 0.0029940 k( 153) = ( 0.2173913 0.0916392 -0.0000000), wk = 0.0029940 k( 154) = ( 0.2391304 0.1008032 -0.0000000), wk = 0.0029940 k( 155) = ( 0.2608696 0.1099671 -0.0000000), wk = 0.0029940 k( 156) = ( 0.2826087 0.1191310 -0.0000000), wk = 0.0029940 k( 157) = ( 0.3043478 0.1282949 -0.0000000), wk = 0.0029940 k( 158) = ( 0.3260870 0.1374588 -0.0000000), wk = 0.0029940 k( 159) = ( 0.3478261 0.1466228 -0.0000000), wk = 0.0029940 k( 160) = ( 0.3695652 0.1557867 -0.0000000), wk = 0.0029940 k( 161) = ( 0.3913044 0.1649506 -0.0000000), wk = 0.0029940 k( 162) = ( 0.4130435 0.1741145 -0.0000000), wk = 0.0029940 k( 163) = ( 0.4347826 0.1832785 -0.0000000), wk = 0.0029940 k( 164) = ( 0.4565217 0.1924424 -0.0000000), wk = 0.0029940 k( 165) = ( 0.4782609 0.2016063 -0.0000000), wk = 0.0029940 k( 166) = ( 0.5000000 0.2107702 -0.0000000), wk = 0.0029940 k( 167) = ( 0.5000000 0.2107702 -0.0000000), wk = 0.0029940 k( 168) = ( 0.4936726 0.2257805 0.0162894), wk = 0.0029940 k( 169) = ( 0.4873451 0.2407908 0.0325789), wk = 0.0029940 k( 170) = ( 0.4810177 0.2558011 0.0488683), wk = 0.0029940 k( 171) = ( 0.4746902 0.2708114 0.0651577), wk = 0.0029940 k( 172) = ( 0.4683628 0.2858217 0.0814471), wk = 0.0029940 k( 173) = ( 0.4620353 0.3008320 0.0977365), wk = 0.0029940 k( 174) = ( 0.4557079 0.3158422 0.1140259), wk = 0.0029940 k( 175) = ( 0.4493804 0.3308525 0.1303154), wk = 0.0029940 k( 176) = ( 0.4430530 0.3458628 0.1466048), wk = 0.0029940 k( 177) = ( 0.4367256 0.3608731 0.1628942), wk = 0.0029940 k( 178) = ( 0.4303981 0.3758834 0.1791836), wk = 0.0029940 k( 179) = ( 0.4240707 0.3908937 0.1954731), wk = 0.0029940 k( 180) = ( 0.4177432 0.4059040 0.2117625), wk = 0.0029940 k( 181) = ( 0.4114158 0.4209142 0.2280519), wk = 0.0029940 k( 182) = ( 0.4050883 0.4359245 0.2443413), wk = 0.0029940 k( 183) = ( 0.3987609 0.4509348 0.2606307), wk = 0.0029940 k( 184) = ( 0.3924335 0.4659451 0.2769202), wk = 0.0029940 k( 185) = ( 0.3861060 0.4809554 0.2932096), wk = 0.0029940 k( 186) = ( 0.3797786 0.4959657 0.3094990), wk = 0.0029940 k( 187) = ( 0.3734511 0.5109760 0.3257884), wk = 0.0029940 k( 188) = ( 0.3671237 0.5259863 0.3420779), wk = 0.0029940 k( 189) = ( 0.3607962 0.5409965 0.3583673), wk = 0.0029940 k( 190) = ( 0.3544688 0.5560068 0.3746567), wk = 0.0029940 k( 191) = ( 0.3481414 0.5710171 0.3909461), wk = 0.0029940 k( 192) = ( 0.3418139 0.5860274 0.4072355), wk = 0.0029940 k( 193) = ( 0.3354865 0.6010377 0.4235249), wk = 0.0029940 k( 194) = ( 0.3291590 0.6160480 0.4398144), wk = 0.0029940 k( 195) = ( 0.3228316 0.6310583 0.4561038), wk = 0.0029940 k( 196) = ( 0.3165041 0.6460685 0.4723932), wk = 0.0029940 k( 197) = ( 0.3101767 0.6610788 0.4886827), wk = 0.0029940 k( 198) = ( 0.3038493 0.6760891 0.5049721), wk = 0.0029940 k( 199) = ( 0.2975218 0.6910994 0.5212615), wk = 0.0029940 k( 200) = ( 0.2911944 0.7061097 0.5375509), wk = 0.0029940 k( 201) = ( 0.2848669 0.7211200 0.5538403), wk = 0.0029940 k( 202) = ( 0.2785395 0.7361303 0.5701297), wk = 0.0029940 k( 203) = ( 0.2722120 0.7511406 0.5864192), wk = 0.0029940 k( 204) = ( 0.2722120 0.7511406 0.5864192), wk = 0.0029940 k( 205) = ( 0.2495277 0.7467495 0.5911844), wk = 0.0029940 k( 206) = ( 0.2268434 0.7423585 0.5959497), wk = 0.0029940 k( 207) = ( 0.2041590 0.7379674 0.6007149), wk = 0.0029940 k( 208) = ( 0.1814747 0.7335764 0.6054801), wk = 0.0029940 k( 209) = ( 0.1587904 0.7291853 0.6102454), wk = 0.0029940 k( 210) = ( 0.1361060 0.7247943 0.6150106), wk = 0.0029940 k( 211) = ( 0.1134217 0.7204032 0.6197758), wk = 0.0029940 k( 212) = ( 0.0907373 0.7160122 0.6245411), wk = 0.0029940 k( 213) = ( 0.0680530 0.7116211 0.6293063), wk = 0.0029940 k( 214) = ( 0.0453687 0.7072301 0.6340716), wk = 0.0029940 k( 215) = ( 0.0226843 0.7028390 0.6388368), wk = 0.0029940 k( 216) = ( 0.0000000 0.6984480 0.6436020), wk = 0.0029940 k( 217) = ( 0.0000000 0.6984480 0.6436020), wk = 0.0029940 k( 218) = ( 0.0064103 0.6832412 0.6601047), wk = 0.0029940 k( 219) = ( 0.0128205 0.6680345 0.6766073), wk = 0.0029940 k( 220) = ( 0.0192308 0.6528278 0.6931099), wk = 0.0029940 k( 221) = ( 0.0256410 0.6376210 0.7096125), wk = 0.0029940 k( 222) = ( 0.0320513 0.6224143 0.7261151), wk = 0.0029940 k( 223) = ( 0.0384615 0.6072076 0.7426177), wk = 0.0029940 k( 224) = ( 0.0448718 0.5920008 0.7591203), wk = 0.0029940 k( 225) = ( 0.0512821 0.5767941 0.7756230), wk = 0.0029940 k( 226) = ( 0.0576923 0.5615873 0.7921256), wk = 0.0029940 k( 227) = ( 0.0641026 0.5463806 0.8086282), wk = 0.0029940 k( 228) = ( 0.0705128 0.5311739 0.8251308), wk = 0.0029940 k( 229) = ( 0.0769231 0.5159671 0.8416334), wk = 0.0029940 k( 230) = ( 0.0833333 0.5007604 0.8581360), wk = 0.0029940 k( 231) = ( 0.0897436 0.4855536 0.8746387), wk = 0.0029940 k( 232) = ( 0.0961538 0.4703469 0.8911413), wk = 0.0029940 k( 233) = ( 0.1025641 0.4551402 0.9076439), wk = 0.0029940 k( 234) = ( 0.1089744 0.4399334 0.9241465), wk = 0.0029940 k( 235) = ( 0.1153846 0.4247267 0.9406491), wk = 0.0029940 k( 236) = ( 0.1217949 0.4095199 0.9571517), wk = 0.0029940 k( 237) = ( 0.1282051 0.3943132 0.9736544), wk = 0.0029940 k( 238) = ( 0.1346154 0.3791065 0.9901570), wk = 0.0029940 k( 239) = ( 0.1410256 0.3638997 1.0066596), wk = 0.0029940 k( 240) = ( 0.1474359 0.3486930 1.0231622), wk = 0.0029940 k( 241) = ( 0.1538461 0.3334862 1.0396648), wk = 0.0029940 k( 242) = ( 0.1602564 0.3182795 1.0561674), wk = 0.0029940 k( 243) = ( 0.1666667 0.3030727 1.0726701), wk = 0.0029940 k( 244) = ( 0.1730769 0.2878660 1.0891727), wk = 0.0029940 k( 245) = ( 0.1794872 0.2726593 1.1056753), wk = 0.0029940 k( 246) = ( 0.1858974 0.2574525 1.1221779), wk = 0.0029940 k( 247) = ( 0.1923077 0.2422458 1.1386805), wk = 0.0029940 k( 248) = ( 0.1987180 0.2270390 1.1551831), wk = 0.0029940 k( 249) = ( 0.2051282 0.2118323 1.1716858), wk = 0.0029940 k( 250) = ( 0.2115385 0.1966256 1.1881884), wk = 0.0029940 k( 251) = ( 0.2179487 0.1814188 1.2046910), wk = 0.0029940 k( 252) = ( 0.2243590 0.1662121 1.2211936), wk = 0.0029940 k( 253) = ( 0.2307692 0.1510053 1.2376962), wk = 0.0029940 k( 254) = ( 0.2371795 0.1357986 1.2541988), wk = 0.0029940 k( 255) = ( 0.2435897 0.1205919 1.2707014), wk = 0.0029940 k( 256) = ( 0.2500000 0.1053851 1.2872041), wk = 0.0029940 k( 257) = ( 0.2500000 0.1053851 1.2872041), wk = 0.0029940 k( 258) = ( 0.2692308 0.1134917 1.2784067), wk = 0.0029940 k( 259) = ( 0.2884615 0.1215982 1.2696094), wk = 0.0029940 k( 260) = ( 0.3076923 0.1297048 1.2608120), wk = 0.0029940 k( 261) = ( 0.3269231 0.1378113 1.2520146), wk = 0.0029940 k( 262) = ( 0.3461538 0.1459179 1.2432173), wk = 0.0029940 k( 263) = ( 0.3653846 0.1540244 1.2344199), wk = 0.0029940 k( 264) = ( 0.3846154 0.1621309 1.2256225), wk = 0.0029940 k( 265) = ( 0.4038462 0.1702375 1.2168251), wk = 0.0029940 k( 266) = ( 0.4230769 0.1783440 1.2080278), wk = 0.0029940 k( 267) = ( 0.4423077 0.1864506 1.1992304), wk = 0.0029940 k( 268) = ( 0.4615385 0.1945571 1.1904331), wk = 0.0029940 k( 269) = ( 0.4807692 0.2026637 1.1816357), wk = 0.0029940 k( 270) = ( 0.5000000 0.2107702 1.1728383), wk = 0.0029940 k( 271) = ( 0.5000000 0.2107702 1.1728383), wk = 0.0029940 k( 272) = ( 0.5000000 0.2107702 1.1493816), wk = 0.0029940 k( 273) = ( 0.5000000 0.2107702 1.1259248), wk = 0.0029940 k( 274) = ( 0.5000000 0.2107702 1.1024680), wk = 0.0029940 k( 275) = ( 0.5000000 0.2107702 1.0790113), wk = 0.0029940 k( 276) = ( 0.5000000 0.2107702 1.0555545), wk = 0.0029940 k( 277) = ( 0.5000000 0.2107702 1.0320977), wk = 0.0029940 k( 278) = ( 0.5000000 0.2107702 1.0086410), wk = 0.0029940 k( 279) = ( 0.5000000 0.2107702 0.9851842), wk = 0.0029940 k( 280) = ( 0.5000000 0.2107702 0.9617274), wk = 0.0029940 k( 281) = ( 0.5000000 0.2107702 0.9382707), wk = 0.0029940 k( 282) = ( 0.5000000 0.2107702 0.9148139), wk = 0.0029940 k( 283) = ( 0.5000000 0.2107702 0.8913571), wk = 0.0029940 k( 284) = ( 0.5000000 0.2107702 0.8679004), wk = 0.0029940 k( 285) = ( 0.5000000 0.2107702 0.8444436), wk = 0.0029940 k( 286) = ( 0.5000000 0.2107702 0.8209868), wk = 0.0029940 k( 287) = ( 0.5000000 0.2107702 0.7975301), wk = 0.0029940 k( 288) = ( 0.5000000 0.2107702 0.7740733), wk = 0.0029940 k( 289) = ( 0.5000000 0.2107702 0.7506165), wk = 0.0029940 k( 290) = ( 0.5000000 0.2107702 0.7271598), wk = 0.0029940 k( 291) = ( 0.5000000 0.2107702 0.7037030), wk = 0.0029940 k( 292) = ( 0.5000000 0.2107702 0.6802462), wk = 0.0029940 k( 293) = ( 0.5000000 0.2107702 0.6567895), wk = 0.0029940 k( 294) = ( 0.5000000 0.2107702 0.6333327), wk = 0.0029940 k( 295) = ( 0.5000000 0.2107702 0.6098759), wk = 0.0029940 k( 296) = ( 0.5000000 0.2107702 0.5864192), wk = 0.0029940 k( 297) = ( 0.5000000 0.2107702 0.5629624), wk = 0.0029940 k( 298) = ( 0.5000000 0.2107702 0.5395056), wk = 0.0029940 k( 299) = ( 0.5000000 0.2107702 0.5160489), wk = 0.0029940 k( 300) = ( 0.5000000 0.2107702 0.4925921), wk = 0.0029940 k( 301) = ( 0.5000000 0.2107702 0.4691353), wk = 0.0029940 k( 302) = ( 0.5000000 0.2107702 0.4456786), wk = 0.0029940 k( 303) = ( 0.5000000 0.2107702 0.4222218), wk = 0.0029940 k( 304) = ( 0.5000000 0.2107702 0.3987650), wk = 0.0029940 k( 305) = ( 0.5000000 0.2107702 0.3753083), wk = 0.0029940 k( 306) = ( 0.5000000 0.2107702 0.3518515), wk = 0.0029940 k( 307) = ( 0.5000000 0.2107702 0.3283947), wk = 0.0029940 k( 308) = ( 0.5000000 0.2107702 0.3049380), wk = 0.0029940 k( 309) = ( 0.5000000 0.2107702 0.2814812), wk = 0.0029940 k( 310) = ( 0.5000000 0.2107702 0.2580244), wk = 0.0029940 k( 311) = ( 0.5000000 0.2107702 0.2345677), wk = 0.0029940 k( 312) = ( 0.5000000 0.2107702 0.2111109), wk = 0.0029940 k( 313) = ( 0.5000000 0.2107702 0.1876541), wk = 0.0029940 k( 314) = ( 0.5000000 0.2107702 0.1641974), wk = 0.0029940 k( 315) = ( 0.5000000 0.2107702 0.1407406), wk = 0.0029940 k( 316) = ( 0.5000000 0.2107702 0.1172838), wk = 0.0029940 k( 317) = ( 0.5000000 0.2107702 0.0938271), wk = 0.0029940 k( 318) = ( 0.5000000 0.2107702 0.0703703), wk = 0.0029940 k( 319) = ( 0.5000000 0.2107702 0.0469135), wk = 0.0029940 k( 320) = ( 0.5000000 0.2107702 0.0234568), wk = 0.0029940 k( 321) = ( 0.5000000 0.2107702 -0.0000000), wk = 0.0029940 k( 322) = ( 0.0000000 0.0000000 1.2872041), wk = 0.0029940 k( 323) = ( 0.0208333 0.0087821 1.2872041), wk = 0.0029940 k( 324) = ( 0.0416667 0.0175642 1.2872041), wk = 0.0029940 k( 325) = ( 0.0625000 0.0263463 1.2872041), wk = 0.0029940 k( 326) = ( 0.0833333 0.0351284 1.2872041), wk = 0.0029940 k( 327) = ( 0.1041667 0.0439105 1.2872041), wk = 0.0029940 k( 328) = ( 0.1250000 0.0526926 1.2872041), wk = 0.0029940 k( 329) = ( 0.1458333 0.0614746 1.2872041), wk = 0.0029940 k( 330) = ( 0.1666667 0.0702567 1.2872041), wk = 0.0029940 k( 331) = ( 0.1875000 0.0790388 1.2872041), wk = 0.0029940 k( 332) = ( 0.2083333 0.0878209 1.2872041), wk = 0.0029940 k( 333) = ( 0.2291667 0.0966030 1.2872041), wk = 0.0029940 k( 334) = ( 0.2500000 0.1053851 1.2872041), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0029940 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0029940 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0029940 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0029940 k( 6) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029940 k( 7) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0029940 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0029940 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0029940 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0029940 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029940 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029940 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0029940 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0029940 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0029940 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029940 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0029940 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0029940 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0029940 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0029940 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029940 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0029940 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029940 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0029940 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0029940 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029940 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0029940 k( 28) = ( 0.0000000 0.0000000 0.2454546), wk = 0.0029940 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0029940 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0029940 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029940 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0029940 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0029940 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029940 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0029940 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029940 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0029940 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0029940 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0029940 k( 40) = ( 0.0000000 0.0000000 0.3545455), wk = 0.0029940 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029940 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0029940 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0029940 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0029940 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029940 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029940 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0029940 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0029940 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0029940 k( 50) = ( 0.0000000 0.0000000 0.4454546), wk = 0.0029940 k( 51) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029940 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0029940 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0029940 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0029940 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0029940 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 58) = ( -0.0088848 0.0088848 0.5000000), wk = 0.0029940 k( 59) = ( -0.0177696 0.0177696 0.5000000), wk = 0.0029940 k( 60) = ( -0.0266544 0.0266544 0.5000000), wk = 0.0029940 k( 61) = ( -0.0355393 0.0355393 0.5000000), wk = 0.0029940 k( 62) = ( -0.0444241 0.0444241 0.5000000), wk = 0.0029940 k( 63) = ( -0.0444241 0.0444241 0.5000000), wk = 0.0029940 k( 64) = ( -0.0507515 0.0507515 0.4936726), wk = 0.0029940 k( 65) = ( -0.0570790 0.0570790 0.4873451), wk = 0.0029940 k( 66) = ( -0.0634064 0.0634064 0.4810177), wk = 0.0029940 k( 67) = ( -0.0697339 0.0697339 0.4746902), wk = 0.0029940 k( 68) = ( -0.0760613 0.0760613 0.4683628), wk = 0.0029940 k( 69) = ( -0.0823887 0.0823887 0.4620353), wk = 0.0029940 k( 70) = ( -0.0887162 0.0887162 0.4557079), wk = 0.0029940 k( 71) = ( -0.0950436 0.0950436 0.4493805), wk = 0.0029940 k( 72) = ( -0.1013711 0.1013711 0.4430530), wk = 0.0029940 k( 73) = ( -0.1076985 0.1076985 0.4367256), wk = 0.0029940 k( 74) = ( -0.1140260 0.1140260 0.4303981), wk = 0.0029940 k( 75) = ( -0.1203534 0.1203534 0.4240707), wk = 0.0029940 k( 76) = ( -0.1266809 0.1266809 0.4177432), wk = 0.0029940 k( 77) = ( -0.1330083 0.1330083 0.4114158), wk = 0.0029940 k( 78) = ( -0.1393357 0.1393357 0.4050883), wk = 0.0029940 k( 79) = ( -0.1456632 0.1456632 0.3987609), wk = 0.0029940 k( 80) = ( -0.1519906 0.1519906 0.3924335), wk = 0.0029940 k( 81) = ( -0.1583181 0.1583181 0.3861060), wk = 0.0029940 k( 82) = ( -0.1646455 0.1646455 0.3797786), wk = 0.0029940 k( 83) = ( -0.1709730 0.1709730 0.3734511), wk = 0.0029940 k( 84) = ( -0.1773004 0.1773004 0.3671237), wk = 0.0029940 k( 85) = ( -0.1836278 0.1836278 0.3607962), wk = 0.0029940 k( 86) = ( -0.1899553 0.1899553 0.3544688), wk = 0.0029940 k( 87) = ( -0.1962827 0.1962827 0.3481414), wk = 0.0029940 k( 88) = ( -0.2026102 0.2026102 0.3418139), wk = 0.0029940 k( 89) = ( -0.2089376 0.2089376 0.3354865), wk = 0.0029940 k( 90) = ( -0.2152651 0.2152651 0.3291590), wk = 0.0029940 k( 91) = ( -0.2215925 0.2215925 0.3228316), wk = 0.0029940 k( 92) = ( -0.2279199 0.2279199 0.3165042), wk = 0.0029940 k( 93) = ( -0.2342474 0.2342474 0.3101767), wk = 0.0029940 k( 94) = ( -0.2405748 0.2405748 0.3038493), wk = 0.0029940 k( 95) = ( -0.2469023 0.2469023 0.2975218), wk = 0.0029940 k( 96) = ( -0.2532297 0.2532297 0.2911944), wk = 0.0029940 k( 97) = ( -0.2595572 0.2595572 0.2848669), wk = 0.0029940 k( 98) = ( -0.2658846 0.2658846 0.2785395), wk = 0.0029940 k( 99) = ( -0.2722120 0.2722120 0.2722120), wk = 0.0029940 k( 100) = ( -0.2722120 0.2722120 0.2722120), wk = 0.0029940 k( 101) = ( -0.2657308 0.2657308 0.2657308), wk = 0.0029940 k( 102) = ( -0.2592496 0.2592496 0.2592496), wk = 0.0029940 k( 103) = ( -0.2527683 0.2527683 0.2527683), wk = 0.0029940 k( 104) = ( -0.2462871 0.2462871 0.2462871), wk = 0.0029940 k( 105) = ( -0.2398058 0.2398058 0.2398059), wk = 0.0029940 k( 106) = ( -0.2333246 0.2333246 0.2333246), wk = 0.0029940 k( 107) = ( -0.2268434 0.2268434 0.2268434), wk = 0.0029940 k( 108) = ( -0.2203621 0.2203621 0.2203621), wk = 0.0029940 k( 109) = ( -0.2138809 0.2138809 0.2138809), wk = 0.0029940 k( 110) = ( -0.2073996 0.2073996 0.2073997), wk = 0.0029940 k( 111) = ( -0.2009184 0.2009184 0.2009184), wk = 0.0029940 k( 112) = ( -0.1944372 0.1944372 0.1944372), wk = 0.0029940 k( 113) = ( -0.1879559 0.1879559 0.1879559), wk = 0.0029940 k( 114) = ( -0.1814747 0.1814747 0.1814747), wk = 0.0029940 k( 115) = ( -0.1749935 0.1749935 0.1749935), wk = 0.0029940 k( 116) = ( -0.1685122 0.1685122 0.1685122), wk = 0.0029940 k( 117) = ( -0.1620310 0.1620310 0.1620310), wk = 0.0029940 k( 118) = ( -0.1555497 0.1555497 0.1555497), wk = 0.0029940 k( 119) = ( -0.1490685 0.1490685 0.1490685), wk = 0.0029940 k( 120) = ( -0.1425873 0.1425873 0.1425873), wk = 0.0029940 k( 121) = ( -0.1361060 0.1361060 0.1361060), wk = 0.0029940 k( 122) = ( -0.1296248 0.1296248 0.1296248), wk = 0.0029940 k( 123) = ( -0.1231435 0.1231435 0.1231435), wk = 0.0029940 k( 124) = ( -0.1166623 0.1166623 0.1166623), wk = 0.0029940 k( 125) = ( -0.1101811 0.1101811 0.1101811), wk = 0.0029940 k( 126) = ( -0.1036998 0.1036998 0.1036998), wk = 0.0029940 k( 127) = ( -0.0972186 0.0972186 0.0972186), wk = 0.0029940 k( 128) = ( -0.0907373 0.0907373 0.0907374), wk = 0.0029940 k( 129) = ( -0.0842561 0.0842561 0.0842561), wk = 0.0029940 k( 130) = ( -0.0777749 0.0777749 0.0777749), wk = 0.0029940 k( 131) = ( -0.0712936 0.0712936 0.0712936), wk = 0.0029940 k( 132) = ( -0.0648124 0.0648124 0.0648124), wk = 0.0029940 k( 133) = ( -0.0583311 0.0583312 0.0583312), wk = 0.0029940 k( 134) = ( -0.0518499 0.0518499 0.0518499), wk = 0.0029940 k( 135) = ( -0.0453687 0.0453687 0.0453687), wk = 0.0029940 k( 136) = ( -0.0388874 0.0388874 0.0388874), wk = 0.0029940 k( 137) = ( -0.0324062 0.0324062 0.0324062), wk = 0.0029940 k( 138) = ( -0.0259250 0.0259250 0.0259250), wk = 0.0029940 k( 139) = ( -0.0194437 0.0194437 0.0194437), wk = 0.0029940 k( 140) = ( -0.0129625 0.0129625 0.0129625), wk = 0.0029940 k( 141) = ( -0.0064812 0.0064812 0.0064812), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 144) = ( 0.0217391 0.0217391 -0.0217391), wk = 0.0029940 k( 145) = ( 0.0434783 0.0434783 -0.0434783), wk = 0.0029940 k( 146) = ( 0.0652174 0.0652174 -0.0652174), wk = 0.0029940 k( 147) = ( 0.0869565 0.0869565 -0.0869565), wk = 0.0029940 k( 148) = ( 0.1086957 0.1086957 -0.1086957), wk = 0.0029940 k( 149) = ( 0.1304348 0.1304348 -0.1304348), wk = 0.0029940 k( 150) = ( 0.1521739 0.1521739 -0.1521739), wk = 0.0029940 k( 151) = ( 0.1739130 0.1739130 -0.1739130), wk = 0.0029940 k( 152) = ( 0.1956522 0.1956522 -0.1956522), wk = 0.0029940 k( 153) = ( 0.2173913 0.2173913 -0.2173913), wk = 0.0029940 k( 154) = ( 0.2391304 0.2391304 -0.2391304), wk = 0.0029940 k( 155) = ( 0.2608696 0.2608696 -0.2608696), wk = 0.0029940 k( 156) = ( 0.2826087 0.2826087 -0.2826087), wk = 0.0029940 k( 157) = ( 0.3043478 0.3043478 -0.3043478), wk = 0.0029940 k( 158) = ( 0.3260870 0.3260870 -0.3260870), wk = 0.0029940 k( 159) = ( 0.3478261 0.3478261 -0.3478261), wk = 0.0029940 k( 160) = ( 0.3695652 0.3695652 -0.3695652), wk = 0.0029940 k( 161) = ( 0.3913044 0.3913044 -0.3913044), wk = 0.0029940 k( 162) = ( 0.4130435 0.4130435 -0.4130435), wk = 0.0029940 k( 163) = ( 0.4347826 0.4347826 -0.4347826), wk = 0.0029940 k( 164) = ( 0.4565217 0.4565217 -0.4565217), wk = 0.0029940 k( 165) = ( 0.4782609 0.4782609 -0.4782609), wk = 0.0029940 k( 166) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029940 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029940 k( 168) = ( 0.4936726 0.5063274 -0.4936726), wk = 0.0029940 k( 169) = ( 0.4873451 0.5126549 -0.4873451), wk = 0.0029940 k( 170) = ( 0.4810177 0.5189823 -0.4810177), wk = 0.0029940 k( 171) = ( 0.4746902 0.5253098 -0.4746902), wk = 0.0029940 k( 172) = ( 0.4683628 0.5316372 -0.4683628), wk = 0.0029940 k( 173) = ( 0.4620353 0.5379647 -0.4620353), wk = 0.0029940 k( 174) = ( 0.4557079 0.5442921 -0.4557079), wk = 0.0029940 k( 175) = ( 0.4493804 0.5506196 -0.4493804), wk = 0.0029940 k( 176) = ( 0.4430530 0.5569470 -0.4430530), wk = 0.0029940 k( 177) = ( 0.4367256 0.5632744 -0.4367256), wk = 0.0029940 k( 178) = ( 0.4303981 0.5696019 -0.4303981), wk = 0.0029940 k( 179) = ( 0.4240707 0.5759293 -0.4240707), wk = 0.0029940 k( 180) = ( 0.4177432 0.5822568 -0.4177432), wk = 0.0029940 k( 181) = ( 0.4114158 0.5885842 -0.4114158), wk = 0.0029940 k( 182) = ( 0.4050883 0.5949117 -0.4050883), wk = 0.0029940 k( 183) = ( 0.3987609 0.6012391 -0.3987609), wk = 0.0029940 k( 184) = ( 0.3924335 0.6075665 -0.3924335), wk = 0.0029940 k( 185) = ( 0.3861060 0.6138940 -0.3861060), wk = 0.0029940 k( 186) = ( 0.3797786 0.6202214 -0.3797786), wk = 0.0029940 k( 187) = ( 0.3734511 0.6265489 -0.3734511), wk = 0.0029940 k( 188) = ( 0.3671237 0.6328763 -0.3671237), wk = 0.0029940 k( 189) = ( 0.3607962 0.6392037 -0.3607962), wk = 0.0029940 k( 190) = ( 0.3544688 0.6455312 -0.3544688), wk = 0.0029940 k( 191) = ( 0.3481414 0.6518586 -0.3481414), wk = 0.0029940 k( 192) = ( 0.3418139 0.6581861 -0.3418139), wk = 0.0029940 k( 193) = ( 0.3354865 0.6645135 -0.3354865), wk = 0.0029940 k( 194) = ( 0.3291590 0.6708410 -0.3291590), wk = 0.0029940 k( 195) = ( 0.3228316 0.6771684 -0.3228316), wk = 0.0029940 k( 196) = ( 0.3165041 0.6834959 -0.3165041), wk = 0.0029940 k( 197) = ( 0.3101767 0.6898233 -0.3101767), wk = 0.0029940 k( 198) = ( 0.3038493 0.6961507 -0.3038493), wk = 0.0029940 k( 199) = ( 0.2975218 0.7024782 -0.2975218), wk = 0.0029940 k( 200) = ( 0.2911944 0.7088056 -0.2911944), wk = 0.0029940 k( 201) = ( 0.2848669 0.7151331 -0.2848669), wk = 0.0029940 k( 202) = ( 0.2785395 0.7214605 -0.2785395), wk = 0.0029940 k( 203) = ( 0.2722120 0.7277880 -0.2722120), wk = 0.0029940 k( 204) = ( 0.2722120 0.7277880 -0.2722120), wk = 0.0029940 k( 205) = ( 0.2495277 0.7088056 -0.2495277), wk = 0.0029940 k( 206) = ( 0.2268434 0.6898233 -0.2268434), wk = 0.0029940 k( 207) = ( 0.2041590 0.6708410 -0.2041590), wk = 0.0029940 k( 208) = ( 0.1814747 0.6518586 -0.1814747), wk = 0.0029940 k( 209) = ( 0.1587904 0.6328763 -0.1587904), wk = 0.0029940 k( 210) = ( 0.1361060 0.6138940 -0.1361060), wk = 0.0029940 k( 211) = ( 0.1134217 0.5949117 -0.1134217), wk = 0.0029940 k( 212) = ( 0.0907373 0.5759293 -0.0907374), wk = 0.0029940 k( 213) = ( 0.0680530 0.5569470 -0.0680530), wk = 0.0029940 k( 214) = ( 0.0453687 0.5379647 -0.0453687), wk = 0.0029940 k( 215) = ( 0.0226843 0.5189823 -0.0226843), wk = 0.0029940 k( 216) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029940 k( 217) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029940 k( 218) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0029940 k( 219) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0029940 k( 220) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0029940 k( 221) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0029940 k( 222) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0029940 k( 223) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0029940 k( 224) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0029940 k( 225) = ( 0.0512821 0.4487180 0.0512821), wk = 0.0029940 k( 226) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0029940 k( 227) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0029940 k( 228) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0029940 k( 229) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0029940 k( 230) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029940 k( 231) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0029940 k( 232) = ( 0.0961538 0.4038462 0.0961539), wk = 0.0029940 k( 233) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0029940 k( 234) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0029940 k( 235) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0029940 k( 236) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0029940 k( 237) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0029940 k( 238) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0029940 k( 239) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0029940 k( 240) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0029940 k( 241) = ( 0.1538461 0.3461538 0.1538462), wk = 0.0029940 k( 242) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0029940 k( 243) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029940 k( 244) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0029940 k( 245) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0029940 k( 246) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0029940 k( 247) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0029940 k( 248) = ( 0.1987180 0.3012821 0.1987180), wk = 0.0029940 k( 249) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0029940 k( 250) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0029940 k( 251) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0029940 k( 252) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0029940 k( 253) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0029940 k( 254) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0029940 k( 255) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0029940 k( 256) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029940 k( 257) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029940 k( 258) = ( 0.2692308 0.2692308 0.2273520), wk = 0.0029940 k( 259) = ( 0.2884615 0.2884615 0.2047040), wk = 0.0029940 k( 260) = ( 0.3076923 0.3076923 0.1820560), wk = 0.0029940 k( 261) = ( 0.3269231 0.3269231 0.1594080), wk = 0.0029940 k( 262) = ( 0.3461538 0.3461538 0.1367600), wk = 0.0029940 k( 263) = ( 0.3653846 0.3653846 0.1141120), wk = 0.0029940 k( 264) = ( 0.3846154 0.3846154 0.0914639), wk = 0.0029940 k( 265) = ( 0.4038462 0.4038462 0.0688159), wk = 0.0029940 k( 266) = ( 0.4230769 0.4230769 0.0461679), wk = 0.0029940 k( 267) = ( 0.4423077 0.4423077 0.0235199), wk = 0.0029940 k( 268) = ( 0.4615385 0.4615385 0.0008719), wk = 0.0029940 k( 269) = ( 0.4807692 0.4807692 -0.0217761), wk = 0.0029940 k( 270) = ( 0.5000000 0.5000000 -0.0444241), wk = 0.0029940 k( 271) = ( 0.5000000 0.5000000 -0.0444241), wk = 0.0029940 k( 272) = ( 0.5000000 0.5000000 -0.0535356), wk = 0.0029940 k( 273) = ( 0.5000000 0.5000000 -0.0626471), wk = 0.0029940 k( 274) = ( 0.5000000 0.5000000 -0.0717586), wk = 0.0029940 k( 275) = ( 0.5000000 0.5000000 -0.0808702), wk = 0.0029940 k( 276) = ( 0.5000000 0.5000000 -0.0899817), wk = 0.0029940 k( 277) = ( 0.5000000 0.5000000 -0.0990932), wk = 0.0029940 k( 278) = ( 0.5000000 0.5000000 -0.1082047), wk = 0.0029940 k( 279) = ( 0.5000000 0.5000000 -0.1173162), wk = 0.0029940 k( 280) = ( 0.5000000 0.5000000 -0.1264277), wk = 0.0029940 k( 281) = ( 0.5000000 0.5000000 -0.1355393), wk = 0.0029940 k( 282) = ( 0.5000000 0.5000000 -0.1446508), wk = 0.0029940 k( 283) = ( 0.5000000 0.5000000 -0.1537623), wk = 0.0029940 k( 284) = ( 0.5000000 0.5000000 -0.1628738), wk = 0.0029940 k( 285) = ( 0.5000000 0.5000000 -0.1719853), wk = 0.0029940 k( 286) = ( 0.5000000 0.5000000 -0.1810969), wk = 0.0029940 k( 287) = ( 0.5000000 0.5000000 -0.1902084), wk = 0.0029940 k( 288) = ( 0.5000000 0.5000000 -0.1993199), wk = 0.0029940 k( 289) = ( 0.5000000 0.5000000 -0.2084314), wk = 0.0029940 k( 290) = ( 0.5000000 0.5000000 -0.2175429), wk = 0.0029940 k( 291) = ( 0.5000000 0.5000000 -0.2266545), wk = 0.0029940 k( 292) = ( 0.5000000 0.5000000 -0.2357660), wk = 0.0029940 k( 293) = ( 0.5000000 0.5000000 -0.2448775), wk = 0.0029940 k( 294) = ( 0.5000000 0.5000000 -0.2539890), wk = 0.0029940 k( 295) = ( 0.5000000 0.5000000 -0.2631005), wk = 0.0029940 k( 296) = ( 0.5000000 0.5000000 -0.2722120), wk = 0.0029940 k( 297) = ( 0.5000000 0.5000000 -0.2813236), wk = 0.0029940 k( 298) = ( 0.5000000 0.5000000 -0.2904351), wk = 0.0029940 k( 299) = ( 0.5000000 0.5000000 -0.2995466), wk = 0.0029940 k( 300) = ( 0.5000000 0.5000000 -0.3086581), wk = 0.0029940 k( 301) = ( 0.5000000 0.5000000 -0.3177696), wk = 0.0029940 k( 302) = ( 0.5000000 0.5000000 -0.3268812), wk = 0.0029940 k( 303) = ( 0.5000000 0.5000000 -0.3359927), wk = 0.0029940 k( 304) = ( 0.5000000 0.5000000 -0.3451042), wk = 0.0029940 k( 305) = ( 0.5000000 0.5000000 -0.3542157), wk = 0.0029940 k( 306) = ( 0.5000000 0.5000000 -0.3633272), wk = 0.0029940 k( 307) = ( 0.5000000 0.5000000 -0.3724387), wk = 0.0029940 k( 308) = ( 0.5000000 0.5000000 -0.3815503), wk = 0.0029940 k( 309) = ( 0.5000000 0.5000000 -0.3906618), wk = 0.0029940 k( 310) = ( 0.5000000 0.5000000 -0.3997733), wk = 0.0029940 k( 311) = ( 0.5000000 0.5000000 -0.4088848), wk = 0.0029940 k( 312) = ( 0.5000000 0.5000000 -0.4179963), wk = 0.0029940 k( 313) = ( 0.5000000 0.5000000 -0.4271079), wk = 0.0029940 k( 314) = ( 0.5000000 0.5000000 -0.4362194), wk = 0.0029940 k( 315) = ( 0.5000000 0.5000000 -0.4453309), wk = 0.0029940 k( 316) = ( 0.5000000 0.5000000 -0.4544424), wk = 0.0029940 k( 317) = ( 0.5000000 0.5000000 -0.4635539), wk = 0.0029940 k( 318) = ( 0.5000000 0.5000000 -0.4726655), wk = 0.0029940 k( 319) = ( 0.5000000 0.5000000 -0.4817770), wk = 0.0029940 k( 320) = ( 0.5000000 0.5000000 -0.4908885), wk = 0.0029940 k( 321) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029940 k( 322) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 323) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0029940 k( 324) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0029940 k( 325) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029940 k( 326) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029940 k( 327) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0029940 k( 328) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029940 k( 329) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0029940 k( 330) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029940 k( 331) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029940 k( 332) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0029940 k( 333) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0029940 k( 334) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029940 Dense grid: 73581 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 36859 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 270, 68) NL pseudopotentials 0.33 Mb ( 135, 158) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.02 Mb ( 2044) G-vector shells 0.01 Mb ( 947) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.12 Mb ( 270, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.33 Mb ( 158, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Rb2NiF4.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 7.5 secs Computing kpt #: 5 total cpu time spent up to now is 8.6 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 10.7 secs Computing kpt #: 8 total cpu time spent up to now is 11.8 secs Computing kpt #: 9 total cpu time spent up to now is 12.8 secs Computing kpt #: 10 total cpu time spent up to now is 13.8 secs Computing kpt #: 11 total cpu time spent up to now is 14.9 secs Computing kpt #: 12 total cpu time spent up to now is 15.9 secs Computing kpt #: 13 total cpu time spent up to now is 16.8 secs Computing kpt #: 14 total cpu time spent up to now is 17.8 secs Computing kpt #: 15 total cpu time spent up to now is 18.6 secs Computing kpt #: 16 total cpu time spent up to now is 19.6 secs Computing kpt #: 17 total cpu time spent up to now is 20.5 secs Computing kpt #: 18 total cpu time spent up to now is 21.5 secs Computing kpt #: 19 total cpu time spent up to now is 22.6 secs Computing kpt #: 20 total cpu time spent up to now is 23.5 secs Computing kpt #: 21 total cpu time spent up to now is 24.4 secs Computing kpt #: 22 total cpu time spent up to now is 25.3 secs Computing kpt #: 23 total cpu time spent up to now is 26.2 secs Computing kpt #: 24 total cpu time spent up to now is 27.1 secs Computing kpt #: 25 total cpu time spent up to now is 28.1 secs Computing kpt #: 26 total cpu time spent up to now is 29.0 secs Computing kpt #: 27 total cpu time spent up to now is 29.9 secs Computing kpt #: 28 total cpu time spent up to now is 30.8 secs Computing kpt #: 29 total cpu time spent up to now is 31.7 secs Computing kpt #: 30 total cpu time spent up to now is 32.7 secs Computing kpt #: 31 total cpu time spent up to now is 33.6 secs Computing kpt #: 32 total cpu time spent up to now is 34.5 secs Computing kpt #: 33 total cpu time spent up to now is 35.5 secs Computing kpt #: 34 total cpu time spent up to now is 36.4 secs Computing kpt #: 35 total cpu time spent up to now is 37.3 secs Computing kpt #: 36 total cpu time spent up to now is 38.2 secs Computing kpt #: 37 total cpu time spent up to now is 39.1 secs Computing kpt #: 38 total cpu time spent up to now is 40.0 secs Computing kpt #: 39 total cpu time spent up to now is 40.9 secs Computing kpt #: 40 total cpu time spent up to now is 41.8 secs Computing kpt #: 41 total cpu time spent up to now is 42.7 secs Computing kpt #: 42 total cpu time spent up to now is 43.5 secs Computing kpt #: 43 total cpu time spent up to now is 44.4 secs Computing kpt #: 44 total cpu time spent up to now is 45.3 secs Computing kpt #: 45 total cpu time spent up to now is 46.2 secs Computing kpt #: 46 total cpu time spent up to now is 47.0 secs Computing kpt #: 47 total cpu time spent up to now is 47.9 secs Computing kpt #: 48 total cpu time spent up to now is 48.8 secs Computing kpt #: 49 total cpu time spent up to now is 49.6 secs Computing kpt #: 50 total cpu time spent up to now is 50.5 secs Computing kpt #: 51 total cpu time spent up to now is 51.3 secs Computing kpt #: 52 total cpu time spent up to now is 52.2 secs Computing kpt #: 53 total cpu time spent up to now is 53.0 secs Computing kpt #: 54 total cpu time spent up to now is 53.9 secs Computing kpt #: 55 total cpu time spent up to now is 54.7 secs Computing kpt #: 56 total cpu time spent up to now is 55.5 secs Computing kpt #: 57 total cpu time spent up to now is 56.4 secs Computing kpt #: 58 total cpu time spent up to now is 57.2 secs Computing kpt #: 59 total cpu time spent up to now is 58.0 secs Computing kpt #: 60 total cpu time spent up to now is 58.9 secs Computing kpt #: 61 total cpu time spent up to now is 59.7 secs Computing kpt #: 62 total cpu time spent up to now is 60.6 secs Computing kpt #: 63 total cpu time spent up to now is 61.4 secs Computing kpt #: 64 total cpu time spent up to now is 62.3 secs Computing kpt #: 65 total cpu time spent up to now is 63.1 secs Computing kpt #: 66 total cpu time spent up to now is 64.0 secs Computing kpt #: 67 total cpu time spent up to now is 64.8 secs Computing kpt #: 68 total cpu time spent up to now is 65.6 secs Computing kpt #: 69 total cpu time spent up to now is 66.5 secs Computing kpt #: 70 total cpu time spent up to now is 67.4 secs Computing kpt #: 71 total cpu time spent up to now is 68.3 secs Computing kpt #: 72 total cpu time spent up to now is 69.2 secs Computing kpt #: 73 total cpu time spent up to now is 70.1 secs Computing kpt #: 74 total cpu time spent up to now is 71.0 secs Computing kpt #: 75 total cpu time spent up to now is 71.9 secs Computing kpt #: 76 total cpu time spent up to now is 72.8 secs Computing kpt #: 77 total cpu time spent up to now is 73.7 secs Computing kpt #: 78 total cpu time spent up to now is 74.7 secs Computing kpt #: 79 total cpu time spent up to now is 75.6 secs Computing kpt #: 80 total cpu time spent up to now is 76.6 secs Computing kpt #: 81 total cpu time spent up to now is 77.5 secs Computing kpt #: 82 total cpu time spent up to now is 78.5 secs Computing kpt #: 83 total cpu time spent up to now is 79.4 secs Computing kpt #: 84 total cpu time spent up to now is 80.5 secs Computing kpt #: 85 total cpu time spent up to now is 81.6 secs Computing kpt #: 86 total cpu time spent up to now is 82.7 secs Computing kpt #: 87 total cpu time spent up to now is 83.7 secs Computing kpt #: 88 total cpu time spent up to now is 84.6 secs Computing kpt #: 89 total cpu time spent up to now is 85.7 secs Computing kpt #: 90 total cpu time spent up to now is 86.7 secs Computing kpt #: 91 total cpu time spent up to now is 87.6 secs Computing kpt #: 92 total cpu time spent up to now is 88.5 secs Computing kpt #: 93 total cpu time spent up to now is 89.4 secs Computing kpt #: 94 total cpu time spent up to now is 90.4 secs Computing kpt #: 95 total cpu time spent up to now is 91.3 secs Computing kpt #: 96 total cpu time spent up to now is 92.2 secs Computing kpt #: 97 total cpu time spent up to now is 93.1 secs Computing kpt #: 98 total cpu time spent up to now is 94.0 secs Computing kpt #: 99 total cpu time spent up to now is 94.9 secs Computing kpt #: 100 total cpu time spent up to now is 95.8 secs Computing kpt #: 101 total cpu time spent up to now is 96.7 secs Computing kpt #: 102 total cpu time spent up to now is 97.6 secs Computing kpt #: 103 total cpu time spent up to now is 98.5 secs Computing kpt #: 104 total cpu time spent up to now is 99.5 secs Computing kpt #: 105 total cpu time spent up to now is 100.5 secs Computing kpt #: 106 total cpu time spent up to now is 101.7 secs Computing kpt #: 107 total cpu time spent up to now is 102.8 secs Computing kpt #: 108 total cpu time spent up to now is 104.0 secs Computing kpt #: 109 total cpu time spent up to now is 105.1 secs Computing kpt #: 110 total cpu time spent up to now is 106.0 secs Computing kpt #: 111 total cpu time spent up to now is 106.9 secs Computing kpt #: 112 total cpu time spent up to now is 107.8 secs Computing kpt #: 113 total cpu time spent up to now is 108.9 secs Computing kpt #: 114 total cpu time spent up to now is 110.0 secs Computing kpt #: 115 total cpu time spent up to now is 111.1 secs Computing kpt #: 116 total cpu time spent up to now is 112.2 secs Computing kpt #: 117 total cpu time spent up to now is 113.3 secs Computing kpt #: 118 total cpu time spent up to now is 114.3 secs Computing kpt #: 119 total cpu time spent up to now is 115.4 secs Computing kpt #: 120 total cpu time spent up to now is 116.5 secs Computing kpt #: 121 total cpu time spent up to now is 117.6 secs Computing kpt #: 122 total cpu time spent up to now is 118.5 secs Computing kpt #: 123 total cpu time spent up to now is 119.5 secs Computing kpt #: 124 total cpu time spent up to now is 120.4 secs Computing kpt #: 125 total cpu time spent up to now is 121.3 secs Computing kpt #: 126 total cpu time spent up to now is 122.3 secs Computing kpt #: 127 total cpu time spent up to now is 123.2 secs Computing kpt #: 128 total cpu time spent up to now is 124.1 secs Computing kpt #: 129 total cpu time spent up to now is 125.1 secs Computing kpt #: 130 total cpu time spent up to now is 126.0 secs Computing kpt #: 131 total cpu time spent up to now is 126.9 secs Computing kpt #: 132 total cpu time spent up to now is 127.9 secs Computing kpt #: 133 total cpu time spent up to now is 128.9 secs Computing kpt #: 134 total cpu time spent up to now is 129.8 secs Computing kpt #: 135 total cpu time spent up to now is 130.7 secs Computing kpt #: 136 total cpu time spent up to now is 131.7 secs Computing kpt #: 137 total cpu time spent up to now is 132.6 secs Computing kpt #: 138 total cpu time spent up to now is 133.5 secs Computing kpt #: 139 total cpu time spent up to now is 134.6 secs Computing kpt #: 140 total cpu time spent up to now is 135.7 secs Computing kpt #: 141 total cpu time spent up to now is 136.7 secs Computing kpt #: 142 total cpu time spent up to now is 137.8 secs Computing kpt #: 143 total cpu time spent up to now is 138.9 secs Computing kpt #: 144 total cpu time spent up to now is 139.9 secs Computing kpt #: 145 total cpu time spent up to now is 141.0 secs Computing kpt #: 146 total cpu time spent up to now is 142.1 secs Computing kpt #: 147 total cpu time spent up to now is 143.1 secs Computing kpt #: 148 total cpu time spent up to now is 144.2 secs Computing kpt #: 149 total cpu time spent up to now is 145.1 secs Computing kpt #: 150 total cpu time spent up to now is 146.2 secs Computing kpt #: 151 total cpu time spent up to now is 147.3 secs Computing kpt #: 152 total cpu time spent up to now is 148.3 secs Computing kpt #: 153 total cpu time spent up to now is 149.4 secs Computing kpt #: 154 total cpu time spent up to now is 150.5 secs Computing kpt #: 155 total cpu time spent up to now is 151.6 secs Computing kpt #: 156 total cpu time spent up to now is 152.6 secs Computing kpt #: 157 total cpu time spent up to now is 153.7 secs Computing kpt #: 158 total cpu time spent up to now is 154.8 secs Computing kpt #: 159 total cpu time spent up to now is 155.9 secs Computing kpt #: 160 total cpu time spent up to now is 157.0 secs Computing kpt #: 161 total cpu time spent up to now is 158.1 secs Computing kpt #: 162 total cpu time spent up to now is 159.2 secs Computing kpt #: 163 total cpu time spent up to now is 160.3 secs Computing kpt #: 164 total cpu time spent up to now is 161.2 secs Computing kpt #: 165 total cpu time spent up to now is 162.2 secs Computing kpt #: 166 total cpu time spent up to now is 163.1 secs Computing kpt #: 167 total cpu time spent up to now is 164.0 secs Computing kpt #: 168 total cpu time spent up to now is 165.1 secs Computing kpt #: 169 total cpu time spent up to now is 166.0 secs Computing kpt #: 170 total cpu time spent up to now is 167.0 secs Computing kpt #: 171 total cpu time spent up to now is 168.1 secs Computing kpt #: 172 total cpu time spent up to now is 169.2 secs Computing kpt #: 173 total cpu time spent up to now is 170.3 secs Computing kpt #: 174 total cpu time spent up to now is 171.2 secs Computing kpt #: 175 total cpu time spent up to now is 172.3 secs Computing kpt #: 176 total cpu time spent up to now is 173.4 secs Computing kpt #: 177 total cpu time spent up to now is 174.5 secs Computing kpt #: 178 total cpu time spent up to now is 175.6 secs Computing kpt #: 179 total cpu time spent up to now is 176.7 secs Computing kpt #: 180 total cpu time spent up to now is 177.8 secs Computing kpt #: 181 total cpu time spent up to now is 178.9 secs Computing kpt #: 182 total cpu time spent up to now is 180.0 secs Computing kpt #: 183 total cpu time spent up to now is 181.1 secs Computing kpt #: 184 total cpu time spent up to now is 182.2 secs Computing kpt #: 185 total cpu time spent up to now is 183.4 secs Computing kpt #: 186 total cpu time spent up to now is 184.5 secs Computing kpt #: 187 total cpu time spent up to now is 185.7 secs Computing kpt #: 188 total cpu time spent up to now is 186.8 secs Computing kpt #: 189 total cpu time spent up to now is 187.9 secs Computing kpt #: 190 total cpu time spent up to now is 189.0 secs Computing kpt #: 191 total cpu time spent up to now is 190.2 secs Computing kpt #: 192 total cpu time spent up to now is 191.3 secs Computing kpt #: 193 total cpu time spent up to now is 192.4 secs Computing kpt #: 194 total cpu time spent up to now is 193.5 secs Computing kpt #: 195 total cpu time spent up to now is 194.6 secs Computing kpt #: 196 total cpu time spent up to now is 195.7 secs Computing kpt #: 197 total cpu time spent up to now is 196.7 secs Computing kpt #: 198 total cpu time spent up to now is 197.6 secs Computing kpt #: 199 total cpu time spent up to now is 198.5 secs Computing kpt #: 200 total cpu time spent up to now is 199.4 secs Computing kpt #: 201 total cpu time spent up to now is 200.3 secs Computing kpt #: 202 total cpu time spent up to now is 201.2 secs Computing kpt #: 203 total cpu time spent up to now is 202.1 secs Computing kpt #: 204 total cpu time spent up to now is 203.1 secs Computing kpt #: 205 total cpu time spent up to now is 204.0 secs Computing kpt #: 206 total cpu time spent up to now is 204.9 secs Computing kpt #: 207 total cpu time spent up to now is 205.8 secs Computing kpt #: 208 total cpu time spent up to now is 206.7 secs Computing kpt #: 209 total cpu time spent up to now is 207.8 secs Computing kpt #: 210 total cpu time spent up to now is 208.8 secs Computing kpt #: 211 total cpu time spent up to now is 209.9 secs Computing kpt #: 212 total cpu time spent up to now is 211.0 secs Computing kpt #: 213 total cpu time spent up to now is 212.1 secs Computing kpt #: 214 total cpu time spent up to now is 213.0 secs Computing kpt #: 215 total cpu time spent up to now is 213.9 secs Computing kpt #: 216 total cpu time spent up to now is 215.0 secs Computing kpt #: 217 total cpu time spent up to now is 215.9 secs Computing kpt #: 218 total cpu time spent up to now is 216.8 secs Computing kpt #: 219 total cpu time spent up to now is 217.8 secs Computing kpt #: 220 total cpu time spent up to now is 218.7 secs Computing kpt #: 221 total cpu time spent up to now is 219.6 secs Computing kpt #: 222 total cpu time spent up to now is 220.5 secs Computing kpt #: 223 total cpu time spent up to now is 221.5 secs Computing kpt #: 224 total cpu time spent up to now is 222.4 secs Computing kpt #: 225 total cpu time spent up to now is 223.3 secs Computing kpt #: 226 total cpu time spent up to now is 224.2 secs Computing kpt #: 227 total cpu time spent up to now is 225.1 secs Computing kpt #: 228 total cpu time spent up to now is 226.0 secs Computing kpt #: 229 total cpu time spent up to now is 226.9 secs Computing kpt #: 230 total cpu time spent up to now is 227.9 secs Computing kpt #: 231 total cpu time spent up to now is 228.8 secs Computing kpt #: 232 total cpu time spent up to now is 229.7 secs Computing kpt #: 233 total cpu time spent up to now is 230.6 secs Computing kpt #: 234 total cpu time spent up to now is 231.5 secs Computing kpt #: 235 total cpu time spent up to now is 232.5 secs Computing kpt #: 236 total cpu time spent up to now is 233.4 secs Computing kpt #: 237 total cpu time spent up to now is 234.3 secs Computing kpt #: 238 total cpu time spent up to now is 235.2 secs Computing kpt #: 239 total cpu time spent up to now is 236.2 secs Computing kpt #: 240 total cpu time spent up to now is 237.1 secs Computing kpt #: 241 total cpu time spent up to now is 238.0 secs Computing kpt #: 242 total cpu time spent up to now is 238.9 secs Computing kpt #: 243 total cpu time spent up to now is 239.9 secs Computing kpt #: 244 total cpu time spent up to now is 240.8 secs Computing kpt #: 245 total cpu time spent up to now is 241.7 secs Computing kpt #: 246 total cpu time spent up to now is 242.7 secs Computing kpt #: 247 total cpu time spent up to now is 243.6 secs Computing kpt #: 248 total cpu time spent up to now is 244.7 secs Computing kpt #: 249 total cpu time spent up to now is 245.8 secs Computing kpt #: 250 total cpu time spent up to now is 246.9 secs Computing kpt #: 251 total cpu time spent up to now is 248.0 secs Computing kpt #: 252 total cpu time spent up to now is 249.1 secs Computing kpt #: 253 total cpu time spent up to now is 250.2 secs Computing kpt #: 254 total cpu time spent up to now is 251.3 secs Computing kpt #: 255 total cpu time spent up to now is 252.4 secs Computing kpt #: 256 total cpu time spent up to now is 253.4 secs Computing kpt #: 257 total cpu time spent up to now is 254.5 secs Computing kpt #: 258 total cpu time spent up to now is 255.4 secs Computing kpt #: 259 total cpu time spent up to now is 256.3 secs Computing kpt #: 260 total cpu time spent up to now is 257.2 secs Computing kpt #: 261 total cpu time spent up to now is 258.0 secs Computing kpt #: 262 total cpu time spent up to now is 258.9 secs Computing kpt #: 263 total cpu time spent up to now is 259.7 secs Computing kpt #: 264 total cpu time spent up to now is 260.5 secs Computing kpt #: 265 total cpu time spent up to now is 261.4 secs Computing kpt #: 266 total cpu time spent up to now is 262.2 secs Computing kpt #: 267 total cpu time spent up to now is 263.1 secs Computing kpt #: 268 total cpu time spent up to now is 263.9 secs Computing kpt #: 269 total cpu time spent up to now is 264.8 secs Computing kpt #: 270 total cpu time spent up to now is 265.6 secs Computing kpt #: 271 total cpu time spent up to now is 266.5 secs Computing kpt #: 272 total cpu time spent up to now is 267.3 secs Computing kpt #: 273 total cpu time spent up to now is 268.2 secs Computing kpt #: 274 total cpu time spent up to now is 269.0 secs Computing kpt #: 275 total cpu time spent up to now is 269.9 secs Computing kpt #: 276 total cpu time spent up to now is 270.7 secs Computing kpt #: 277 total cpu time spent up to now is 271.6 secs Computing kpt #: 278 total cpu time spent up to now is 272.4 secs Computing kpt #: 279 total cpu time spent up to now is 273.3 secs Computing kpt #: 280 total cpu time spent up to now is 274.2 secs Computing kpt #: 281 total cpu time spent up to now is 275.0 secs Computing kpt #: 282 total cpu time spent up to now is 275.9 secs Computing kpt #: 283 total cpu time spent up to now is 276.8 secs Computing kpt #: 284 total cpu time spent up to now is 277.7 secs Computing kpt #: 285 total cpu time spent up to now is 278.6 secs Computing kpt #: 286 total cpu time spent up to now is 279.5 secs Computing kpt #: 287 total cpu time spent up to now is 280.5 secs Computing kpt #: 288 total cpu time spent up to now is 281.4 secs Computing kpt #: 289 total cpu time spent up to now is 282.4 secs Computing kpt #: 290 total cpu time spent up to now is 283.5 secs Computing kpt #: 291 total cpu time spent up to now is 284.4 secs Computing kpt #: 292 total cpu time spent up to now is 285.4 secs Computing kpt #: 293 total cpu time spent up to now is 286.3 secs Computing kpt #: 294 total cpu time spent up to now is 287.3 secs Computing kpt #: 295 total cpu time spent up to now is 288.2 secs Computing kpt #: 296 total cpu time spent up to now is 289.1 secs Computing kpt #: 297 total cpu time spent up to now is 290.1 secs Computing kpt #: 298 total cpu time spent up to now is 291.0 secs Computing kpt #: 299 total cpu time spent up to now is 291.9 secs Computing kpt #: 300 total cpu time spent up to now is 292.9 secs Computing kpt #: 301 total cpu time spent up to now is 293.8 secs Computing kpt #: 302 total cpu time spent up to now is 294.7 secs Computing kpt #: 303 total cpu time spent up to now is 295.7 secs Computing kpt #: 304 total cpu time spent up to now is 296.6 secs Computing kpt #: 305 total cpu time spent up to now is 297.7 secs Computing kpt #: 306 total cpu time spent up to now is 298.7 secs Computing kpt #: 307 total cpu time spent up to now is 299.8 secs Computing kpt #: 308 total cpu time spent up to now is 300.9 secs Computing kpt #: 309 total cpu time spent up to now is 302.0 secs Computing kpt #: 310 total cpu time spent up to now is 303.1 secs Computing kpt #: 311 total cpu time spent up to now is 304.2 secs Computing kpt #: 312 total cpu time spent up to now is 305.3 secs Computing kpt #: 313 total cpu time spent up to now is 306.4 secs Computing kpt #: 314 total cpu time spent up to now is 307.5 secs Computing kpt #: 315 total cpu time spent up to now is 308.6 secs Computing kpt #: 316 total cpu time spent up to now is 309.7 secs Computing kpt #: 317 total cpu time spent up to now is 310.6 secs Computing kpt #: 318 total cpu time spent up to now is 311.6 secs Computing kpt #: 319 total cpu time spent up to now is 312.5 secs Computing kpt #: 320 total cpu time spent up to now is 313.4 secs Computing kpt #: 321 total cpu time spent up to now is 314.3 secs Computing kpt #: 322 total cpu time spent up to now is 315.2 secs Computing kpt #: 323 total cpu time spent up to now is 316.0 secs Computing kpt #: 324 total cpu time spent up to now is 316.9 secs Computing kpt #: 325 total cpu time spent up to now is 317.7 secs Computing kpt #: 326 total cpu time spent up to now is 318.6 secs Computing kpt #: 327 total cpu time spent up to now is 319.4 secs Computing kpt #: 328 total cpu time spent up to now is 320.3 secs Computing kpt #: 329 total cpu time spent up to now is 321.2 secs Computing kpt #: 330 total cpu time spent up to now is 322.2 secs Computing kpt #: 331 total cpu time spent up to now is 323.1 secs Computing kpt #: 332 total cpu time spent up to now is 324.0 secs Computing kpt #: 333 total cpu time spent up to now is 324.9 secs Computing kpt #: 334 total cpu time spent up to now is 326.0 secs ethr = 1.79E-08, avg # of iterations = 18.7 total cpu time spent up to now is 326.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4605 PWs) bands (ev): -19.9575 -19.9575 -19.8294 -19.8294 -17.2677 -17.2677 -16.8835 -16.8835 -16.5437 -16.5437 -16.5139 -16.5139 -4.6729 -4.6729 -4.4654 -4.4654 -3.8945 -3.8945 -3.7125 -3.7125 -3.6228 -3.6228 -3.5819 -3.5819 0.3512 0.3512 0.3693 0.3693 0.8414 0.8414 0.8536 0.8536 1.8519 1.8519 2.0248 2.0248 2.0453 2.0453 2.0548 2.0548 2.1163 2.1163 2.2771 2.2771 2.3996 2.3996 2.4421 2.4421 4.8601 4.8601 5.0360 5.0360 5.1472 5.1472 5.3774 5.3774 5.8515 5.8515 9.0093 9.0093 11.5405 11.5405 12.4266 12.4266 12.5044 12.5044 12.6989 12.6989 k = 0.0000 0.0000 0.0234 ( 4605 PWs) bands (ev): -19.9574 -19.9574 -19.8294 -19.8294 -17.2676 -17.2676 -16.8836 -16.8836 -16.5438 -16.5438 -16.5140 -16.5140 -4.6730 -4.6730 -4.4655 -4.4655 -3.8945 -3.8945 -3.7126 -3.7126 -3.6227 -3.6227 -3.5818 -3.5818 0.3502 0.3502 0.3684 0.3684 0.8421 0.8421 0.8534 0.8534 1.8500 1.8500 2.0240 2.0240 2.0448 2.0448 2.0542 2.0542 2.1151 2.1151 2.2793 2.2793 2.3989 2.3989 2.4411 2.4411 4.8610 4.8610 5.0362 5.0362 5.1475 5.1475 5.3788 5.3788 5.8525 5.8525 9.0123 9.0123 11.5415 11.5415 12.4273 12.4273 12.5070 12.5070 12.7010 12.7010 k = 0.0000 0.0000 0.0468 ( 4607 PWs) bands (ev): -19.9570 -19.9570 -19.8292 -19.8292 -17.2671 -17.2671 -16.8840 -16.8840 -16.5440 -16.5440 -16.5142 -16.5142 -4.6731 -4.6731 -4.4657 -4.4657 -3.8945 -3.8945 -3.7131 -3.7131 -3.6225 -3.6225 -3.5814 -3.5814 0.3467 0.3467 0.3665 0.3665 0.8442 0.8442 0.8530 0.8530 1.8444 1.8444 2.0215 2.0215 2.0425 2.0425 2.0526 2.0526 2.1130 2.1130 2.2855 2.2855 2.3967 2.3967 2.4380 2.4380 4.8635 4.8635 5.0369 5.0369 5.1485 5.1485 5.3831 5.3831 5.8554 5.8554 9.0216 9.0216 11.5447 11.5447 12.4294 12.4294 12.5147 12.5147 12.7073 12.7073 k = 0.0000 0.0000 0.0702 ( 4607 PWs) bands (ev): -19.9563 -19.9563 -19.8290 -19.8290 -17.2663 -17.2663 -16.8846 -16.8846 -16.5443 -16.5443 -16.5147 -16.5147 -4.6733 -4.6733 -4.4660 -4.4660 -3.8946 -3.8946 -3.7138 -3.7138 -3.6221 -3.6221 -3.5809 -3.5809 0.3394 0.3394 0.3649 0.3649 0.8475 0.8475 0.8524 0.8524 1.8356 1.8356 2.0164 2.0164 2.0366 2.0366 2.0500 2.0500 2.1131 2.1131 2.2941 2.2941 2.3929 2.3929 2.4335 2.4335 4.8678 4.8678 5.0381 5.0381 5.1500 5.1500 5.3902 5.3902 5.8602 5.8602 9.0369 9.0369 11.5498 11.5498 12.4328 12.4328 12.5275 12.5275 12.7178 12.7178 k = 0.0000 0.0000 0.0936 ( 4605 PWs) bands (ev): -19.9554 -19.9554 -19.8287 -19.8287 -17.2651 -17.2651 -16.8853 -16.8853 -16.5447 -16.5447 -16.5152 -16.5152 -4.6736 -4.6736 -4.4665 -4.4665 -3.8949 -3.8949 -3.7148 -3.7148 -3.6215 -3.6215 -3.5801 -3.5801 0.3278 0.3278 0.3644 0.3644 0.8511 0.8511 0.8522 0.8522 1.8243 1.8243 2.0078 2.0078 2.0257 2.0257 2.0476 2.0476 2.1175 2.1175 2.3033 2.3033 2.3877 2.3877 2.4281 2.4281 4.8737 4.8737 5.0398 5.0398 5.1522 5.1522 5.4002 5.4002 5.8669 5.8669 9.0582 9.0582 11.5570 11.5570 12.4374 12.4374 12.5453 12.5453 12.7324 12.7324 k = 0.0000 0.0000 0.1170 ( 4605 PWs) bands (ev): -19.9542 -19.9542 -19.8284 -19.8284 -17.2637 -17.2637 -16.8864 -16.8864 -16.5452 -16.5452 -16.5160 -16.5160 -4.6740 -4.6740 -4.4671 -4.4671 -3.8952 -3.8952 -3.7160 -3.7160 -3.6209 -3.6209 -3.5791 -3.5791 0.3124 0.3124 0.3647 0.3647 0.8501 0.8501 0.8573 0.8573 1.8112 1.8112 1.9950 1.9950 2.0105 2.0105 2.0460 2.0460 2.1260 2.1260 2.3107 2.3107 2.3818 2.3818 2.4227 2.4227 4.8811 4.8811 5.0419 5.0419 5.1550 5.1550 5.4129 5.4129 5.8753 5.8753 9.0854 9.0854 11.5661 11.5661 12.4432 12.4432 12.5679 12.5679 12.7512 12.7512 k = 0.0000 0.0000 0.1404 ( 4605 PWs) bands (ev): -19.9527 -19.9527 -19.8279 -19.8279 -17.2619 -17.2619 -16.8876 -16.8876 -16.5458 -16.5458 -16.5169 -16.5169 -4.6745 -4.6745 -4.4679 -4.4679 -3.8958 -3.8958 -3.7174 -3.7174 -3.6203 -3.6203 -3.5780 -3.5780 0.2937 0.2937 0.3656 0.3656 0.8486 0.8486 0.8632 0.8632 1.7966 1.7966 1.9778 1.9778 1.9929 1.9929 2.0453 2.0453 2.1373 2.1373 2.3134 2.3134 2.3770 2.3770 2.4179 2.4179 4.8900 4.8900 5.0446 5.0446 5.1583 5.1583 5.4284 5.4284 5.8854 5.8854 9.1183 9.1183 11.5770 11.5770 12.4498 12.4498 12.5953 12.5953 12.7741 12.7741 k = 0.0000 0.0000 0.1638 ( 4599 PWs) bands (ev): -19.9510 -19.9510 -19.8274 -19.8274 -17.2598 -17.2598 -16.8890 -16.8890 -16.5465 -16.5465 -16.5180 -16.5180 -4.6752 -4.6752 -4.4688 -4.4688 -3.8966 -3.8966 -3.7189 -3.7189 -3.6196 -3.6196 -3.5766 -3.5766 0.2721 0.2721 0.3667 0.3667 0.8469 0.8469 0.8696 0.8696 1.7811 1.7811 1.9570 1.9570 1.9736 1.9736 2.0453 2.0453 2.1504 2.1504 2.3084 2.3084 2.3758 2.3758 2.4144 2.4144 4.9003 4.9003 5.0477 5.0477 5.1622 5.1622 5.4466 5.4466 5.8971 5.8971 9.1568 9.1568 11.5896 11.5896 12.4571 12.4571 12.6272 12.6272 12.8010 12.8010 k = 0.0000 0.0000 0.1872 ( 4615 PWs) bands (ev): -19.9491 -19.9491 -19.8268 -19.8268 -17.2574 -17.2574 -16.8907 -16.8907 -16.5473 -16.5473 -16.5192 -16.5192 -4.6759 -4.6759 -4.4699 -4.4699 -3.8977 -3.8977 -3.7206 -3.7206 -3.6189 -3.6189 -3.5751 -3.5751 0.2480 0.2480 0.3681 0.3681 0.8449 0.8449 0.8761 0.8761 1.7649 1.7649 1.9337 1.9337 1.9524 1.9524 2.0458 2.0458 2.1645 2.1645 2.2958 2.2958 2.3771 2.3771 2.4130 2.4130 4.9118 4.9118 5.0512 5.0512 5.1667 5.1667 5.4673 5.4673 5.9103 5.9103 9.2006 9.2006 11.6037 11.6037 12.4649 12.4649 12.6635 12.6635 12.8318 12.8318 k = 0.0000 0.0000 0.2106 ( 4615 PWs) bands (ev): -19.9470 -19.9470 -19.8262 -19.8262 -17.2547 -17.2547 -16.8925 -16.8925 -16.5482 -16.5482 -16.5205 -16.5205 -4.6769 -4.6769 -4.4712 -4.4712 -3.8992 -3.8992 -3.7224 -3.7224 -3.6182 -3.6182 -3.5734 -3.5734 0.2217 0.2217 0.3696 0.3696 0.8428 0.8428 0.8827 0.8827 1.7483 1.7483 1.9092 1.9092 1.9293 1.9293 2.0469 2.0469 2.1793 2.1793 2.2782 2.2782 2.3780 2.3780 2.4147 2.4147 4.9245 4.9245 5.0553 5.0553 5.1717 5.1717 5.4907 5.4907 5.9248 5.9248 9.2496 9.2496 11.6193 11.6193 12.4729 12.4729 12.7039 12.7039 12.8666 12.8666 k = 0.0000 0.0000 0.2340 ( 4621 PWs) bands (ev): -19.9446 -19.9446 -19.8255 -19.8255 -17.2517 -17.2517 -16.8946 -16.8946 -16.5491 -16.5491 -16.5220 -16.5220 -4.6779 -4.6779 -4.4727 -4.4727 -3.9012 -3.9012 -3.7243 -3.7243 -3.6176 -3.6176 -3.5717 -3.5717 0.1934 0.1934 0.3712 0.3712 0.8405 0.8405 0.8892 0.8892 1.7314 1.7314 1.8838 1.8838 1.9042 1.9042 2.0483 2.0483 2.1943 2.1943 2.2576 2.2576 2.3766 2.3766 2.4194 2.4194 4.9382 4.9382 5.0598 5.0598 5.1772 5.1772 5.5165 5.5165 5.9406 5.9406 9.3036 9.3036 11.6361 11.6361 12.4807 12.4807 12.7482 12.7482 12.9051 12.9051 k = 0.0000 0.0000 0.2574 ( 4627 PWs) bands (ev): -19.9420 -19.9420 -19.8247 -19.8247 -17.2485 -17.2485 -16.8968 -16.8968 -16.5501 -16.5501 -16.5236 -16.5236 -4.6792 -4.6792 -4.4744 -4.4744 -3.9036 -3.9036 -3.7263 -3.7263 -3.6171 -3.6171 -3.5700 -3.5700 0.1633 0.1633 0.3728 0.3728 0.8380 0.8380 0.8955 0.8955 1.7145 1.7145 1.8576 1.8576 1.8775 1.8775 2.0503 2.0503 2.2091 2.2091 2.2357 2.2357 2.3734 2.3734 2.4259 2.4259 4.9529 4.9529 5.0647 5.0647 5.1833 5.1833 5.5447 5.5447 5.9575 5.9575 9.3622 9.3622 11.6539 11.6539 12.4880 12.4880 12.7960 12.7960 12.9473 12.9473 k = 0.0000 0.0000 0.2808 ( 4623 PWs) bands (ev): -19.9392 -19.9392 -19.8239 -19.8239 -17.2449 -17.2449 -16.8992 -16.8992 -16.5511 -16.5511 -16.5253 -16.5253 -4.6807 -4.6807 -4.4763 -4.4763 -3.9066 -3.9066 -3.7284 -3.7284 -3.6167 -3.6167 -3.5683 -3.5683 0.1317 0.1317 0.3744 0.3744 0.8354 0.8354 0.9015 0.9015 1.6975 1.6975 1.8304 1.8304 1.8500 1.8500 2.0527 2.0527 2.2104 2.2104 2.2263 2.2263 2.3690 2.3690 2.4331 2.4331 4.9683 4.9683 5.0702 5.0702 5.1900 5.1900 5.5752 5.5752 5.9754 5.9754 9.4252 9.4252 11.6726 11.6726 12.4945 12.4945 12.8470 12.8470 12.9930 12.9930 k = 0.0000 0.0000 0.3042 ( 4627 PWs) bands (ev): -19.9362 -19.9362 -19.8230 -19.8230 -17.2410 -17.2410 -16.9018 -16.9018 -16.5522 -16.5522 -16.5271 -16.5271 -4.6823 -4.6823 -4.4785 -4.4785 -3.9100 -3.9100 -3.7306 -3.7306 -3.6165 -3.6165 -3.5666 -3.5666 0.0987 0.0987 0.3759 0.3759 0.8328 0.8328 0.9071 0.9071 1.6807 1.6807 1.8011 1.8011 1.8232 1.8232 2.0557 2.0557 2.1880 2.1880 2.2404 2.2404 2.3640 2.3640 2.4401 2.4401 4.9844 4.9844 5.0760 5.0760 5.1972 5.1972 5.6078 5.6078 5.9941 5.9941 9.4923 9.4923 11.6918 11.6918 12.4998 12.4998 12.9009 12.9009 13.0421 13.0421 k = 0.0000 0.0000 0.3277 ( 4631 PWs) bands (ev): -19.9330 -19.9330 -19.8221 -19.8221 -17.2369 -17.2369 -16.9046 -16.9046 -16.5533 -16.5533 -16.5290 -16.5290 -4.6842 -4.6842 -4.4810 -4.4810 -3.9140 -3.9140 -3.7330 -3.7330 -3.6164 -3.6164 -3.5652 -3.5652 0.0645 0.0645 0.3773 0.3773 0.8302 0.8302 0.9122 0.9122 1.6640 1.6640 1.7690 1.7690 1.7980 1.7980 2.0592 2.0592 2.1651 2.1651 2.2550 2.2550 2.3587 2.3587 2.4467 2.4467 5.0011 5.0011 5.0823 5.0823 5.2050 5.2050 5.6425 5.6425 6.0135 6.0135 9.5634 9.5634 11.7114 11.7114 12.5036 12.5036 12.9572 12.9572 13.0945 13.0945 k = 0.0000 0.0000 0.3511 ( 4625 PWs) bands (ev): -19.9297 -19.9297 -19.8212 -19.8212 -17.2325 -17.2325 -16.9075 -16.9075 -16.5544 -16.5544 -16.5309 -16.5309 -4.6863 -4.6863 -4.4837 -4.4837 -3.9186 -3.9186 -3.7355 -3.7355 -3.6166 -3.6166 -3.5639 -3.5639 0.0293 0.0293 0.3785 0.3785 0.8277 0.8277 0.9169 0.9169 1.6476 1.6476 1.7346 1.7346 1.7747 1.7747 2.0634 2.0634 2.1429 2.1429 2.2693 2.2693 2.3532 2.3532 2.4526 2.4526 5.0182 5.0182 5.0891 5.0891 5.2133 5.2133 5.6790 5.6790 6.0336 6.0336 9.6381 9.6381 11.7311 11.7311 12.5056 12.5056 13.0155 13.0155 13.1500 13.1500 k = 0.0000 0.0000 0.3745 ( 4622 PWs) bands (ev): -19.9262 -19.9262 -19.8202 -19.8202 -17.2279 -17.2279 -16.9105 -16.9105 -16.5555 -16.5555 -16.5330 -16.5330 -4.6887 -4.6887 -4.4866 -4.4866 -3.9236 -3.9236 -3.7383 -3.7383 -3.6171 -3.6171 -3.5630 -3.5630 -0.0069 -0.0069 0.3795 0.3795 0.8254 0.8254 0.9210 0.9210 1.6314 1.6314 1.6982 1.6982 1.7532 1.7532 2.0682 2.0682 2.1216 2.1216 2.2834 2.2834 2.3477 2.3477 2.4579 2.4579 5.0356 5.0356 5.0962 5.0962 5.2222 5.2222 5.7173 5.7173 6.0541 6.0541 9.7162 9.7162 11.7507 11.7507 12.5053 12.5053 13.0753 13.0753 13.2084 13.2084 k = 0.0000 0.0000 0.3979 ( 4614 PWs) bands (ev): -19.9226 -19.9226 -19.8192 -19.8192 -17.2230 -17.2230 -16.9137 -16.9137 -16.5566 -16.5566 -16.5351 -16.5351 -4.6913 -4.6913 -4.4899 -4.4899 -3.9291 -3.9291 -3.7414 -3.7414 -3.6180 -3.6180 -3.5623 -3.5623 -0.0438 -0.0438 0.3802 0.3802 0.8233 0.8233 0.9246 0.9246 1.6156 1.6156 1.6605 1.6605 1.7333 1.7333 2.0737 2.0737 2.1016 2.1016 2.2970 2.2970 2.3423 2.3423 2.4624 2.4624 5.0531 5.0531 5.1037 5.1037 5.2316 5.2316 5.7573 5.7573 6.0750 6.0750 9.7973 9.7973 11.7699 11.7699 12.5026 12.5026 13.1361 13.1361 13.2694 13.2694 k = 0.0000 0.0000 0.4213 ( 4610 PWs) bands (ev): -19.9188 -19.9188 -19.8182 -19.8182 -17.2179 -17.2179 -16.9170 -16.9170 -16.5576 -16.5576 -16.5372 -16.5372 -4.6942 -4.6942 -4.4935 -4.4935 -3.9351 -3.9351 -3.7447 -3.7447 -3.6194 -3.6194 -3.5620 -3.5620 -0.0814 -0.0814 0.3807 0.3807 0.8216 0.8216 0.9276 0.9276 1.6001 1.6001 1.6219 1.6219 1.7149 1.7149 2.0799 2.0799 2.0830 2.0830 2.3101 2.3101 2.3369 2.3369 2.4661 2.4661 5.0707 5.0707 5.1117 5.1117 5.2416 5.2416 5.7988 5.7988 6.0962 6.0962 9.8813 9.8813 11.7885 11.7885 12.4972 12.4972 13.1971 13.1971 13.3328 13.3328 k = 0.0000 0.0000 0.4447 ( 4600 PWs) bands (ev): -19.9149 -19.9149 -19.8172 -19.8172 -17.2125 -17.2125 -16.9204 -16.9204 -16.5586 -16.5586 -16.5394 -16.5394 -4.6973 -4.6973 -4.4974 -4.4974 -3.9414 -3.9414 -3.7483 -3.7483 -3.6213 -3.6213 -3.5622 -3.5622 -0.1195 -0.1195 0.3807 0.3807 0.8203 0.8203 0.9299 0.9299 1.5820 1.5820 1.5857 1.5857 1.6982 1.6982 2.0661 2.0661 2.0870 2.0870 2.3227 2.3227 2.3318 2.3318 2.4691 2.4691 5.0883 5.0883 5.1200 5.1200 5.2522 5.2522 5.8418 5.8418 6.1176 6.1176 9.9679 9.9679 11.8063 11.8063 12.4890 12.4890 13.2577 13.2577 13.3983 13.3983 k = 0.0000 0.0000 0.4681 ( 4600 PWs) bands (ev): -19.9110 -19.9110 -19.8162 -19.8162 -17.2070 -17.2070 -16.9240 -16.9240 -16.5596 -16.5596 -16.5416 -16.5416 -4.7008 -4.7008 -4.5016 -4.5016 -3.9480 -3.9480 -3.7524 -3.7524 -3.6239 -3.6239 -3.5627 -3.5627 -0.1580 -0.1580 0.3804 0.3804 0.8196 0.8196 0.9317 0.9317 1.5433 1.5433 1.5705 1.5705 1.6830 1.6830 2.0510 2.0510 2.0948 2.0948 2.3264 2.3264 2.3353 2.3353 2.4714 2.4714 5.1055 5.1055 5.1288 5.1288 5.2634 5.2634 5.8859 5.8859 6.1390 6.1390 10.0568 10.0568 11.8231 11.8231 12.4777 12.4777 13.3170 13.3170 13.4655 13.4655 k = 0.0000 0.0000 0.4915 ( 4602 PWs) bands (ev): -19.9070 -19.9070 -19.8152 -19.8152 -17.2012 -17.2012 -16.9276 -16.9276 -16.5605 -16.5605 -16.5439 -16.5439 -4.7045 -4.7045 -4.5062 -4.5062 -3.9550 -3.9550 -3.7568 -3.7568 -3.6272 -3.6272 -3.5638 -3.5638 -0.1969 -0.1969 0.3797 0.3797 0.8195 0.8195 0.9328 0.9328 1.5042 1.5042 1.5561 1.5561 1.6695 1.6695 2.0378 2.0378 2.1034 2.1034 2.3217 2.3217 2.3469 2.3469 2.4731 2.4731 5.1222 5.1222 5.1382 5.1382 5.2751 5.2751 5.9311 5.9311 6.1603 6.1603 10.1477 10.1477 11.8386 11.8386 12.4635 12.4635 13.3739 13.3739 13.5339 13.5339 k = 0.0000 0.0000 0.5149 ( 4606 PWs) bands (ev): -19.9029 -19.9029 -19.8142 -19.8142 -17.1952 -17.1952 -16.9313 -16.9313 -16.5613 -16.5613 -16.5462 -16.5462 -4.7085 -4.7085 -4.5110 -4.5110 -3.9622 -3.9622 -3.7615 -3.7615 -3.6312 -3.6312 -3.5653 -3.5653 -0.2359 -0.2359 0.3786 0.3786 0.8203 0.8203 0.9332 0.9332 1.4658 1.4658 1.5422 1.5422 1.6577 1.6577 2.0264 2.0264 2.1129 2.1129 2.3171 2.3171 2.3580 2.3580 2.4742 2.4742 5.1377 5.1377 5.1489 5.1489 5.2873 5.2873 5.9773 5.9773 6.1816 6.1816 10.2404 10.2404 11.8529 11.8529 12.4462 12.4462 13.4275 13.4275 13.6031 13.6031 k = 0.0000 0.0000 0.5383 ( 4614 PWs) bands (ev): -19.8988 -19.8988 -19.8132 -19.8132 -17.1891 -17.1891 -16.9350 -16.9350 -16.5621 -16.5621 -16.5484 -16.5484 -4.7128 -4.7128 -4.5163 -4.5163 -3.9695 -3.9695 -3.7667 -3.7667 -3.6362 -3.6362 -3.5672 -3.5672 -0.2751 -0.2751 0.3771 0.3771 0.8219 0.8219 0.9328 0.9328 1.4281 1.4281 1.5286 1.5286 1.6474 1.6474 2.0171 2.0171 2.1232 2.1232 2.3128 2.3128 2.3687 2.3687 2.4748 2.4748 5.1507 5.1507 5.1618 5.1618 5.3001 5.3001 6.0244 6.0244 6.2027 6.2027 10.3346 10.3346 11.8657 11.8657 12.4260 12.4260 13.4765 13.4765 13.6725 13.6725 k = 0.0000 0.0000 0.5617 ( 4618 PWs) bands (ev): -19.8946 -19.8946 -19.8122 -19.8122 -17.1828 -17.1828 -16.9388 -16.9388 -16.5628 -16.5628 -16.5507 -16.5507 -4.7174 -4.7174 -4.5218 -4.5218 -3.9770 -3.9770 -3.7724 -3.7724 -3.6421 -3.6421 -3.5697 -3.5697 -0.3142 -0.3142 0.3751 0.3751 0.8246 0.8246 0.9317 0.9317 1.3918 1.3918 1.5155 1.5155 1.6387 1.6387 2.0099 2.0099 2.1343 2.1343 2.3088 2.3088 2.3788 2.3788 2.4750 2.4750 5.1617 5.1617 5.1766 5.1766 5.3134 5.3134 6.0722 6.0722 6.2236 6.2236 10.4300 10.4300 11.8769 11.8769 12.4031 12.4031 13.5195 13.5195 13.7413 13.7413 k = 0.0000 0.0000 0.5851 ( 4620 PWs) bands (ev): -19.8904 -19.8904 -19.8113 -19.8113 -17.1763 -17.1763 -16.9427 -16.9427 -16.5634 -16.5634 -16.5530 -16.5530 -4.7222 -4.7222 -4.5277 -4.5277 -3.9846 -3.9846 -3.7784 -3.7784 -3.6489 -3.6489 -3.5727 -3.5727 -0.3533 -0.3533 0.3727 0.3727 0.8283 0.8283 0.9296 0.9296 1.3569 1.3569 1.5028 1.5028 1.6314 1.6314 2.0047 2.0047 2.1462 2.1462 2.3050 2.3050 2.3884 2.3884 2.4749 2.4749 5.1719 5.1719 5.1918 5.1918 5.3271 5.3271 6.1206 6.1206 6.2442 6.2442 10.5263 10.5263 11.8866 11.8866 12.3776 12.3776 13.5554 13.5554 13.8086 13.8086 k = 0.0000 0.0000 0.6085 ( 4610 PWs) bands (ev): -19.8863 -19.8863 -19.8104 -19.8104 -17.1698 -17.1698 -16.9465 -16.9465 -16.5639 -16.5639 -16.5553 -16.5553 -4.7273 -4.7273 -4.5339 -4.5339 -3.9922 -3.9922 -3.7849 -3.7849 -3.6566 -3.6566 -3.5761 -3.5761 -0.3923 -0.3923 0.3698 0.3698 0.8331 0.8331 0.9266 0.9266 1.3238 1.3238 1.4905 1.4905 1.6256 1.6256 2.0015 2.0015 2.1589 2.1589 2.3015 2.3015 2.3975 2.3975 2.4746 2.4746 5.1819 5.1819 5.2070 5.2070 5.3412 5.3412 6.1695 6.1695 6.2645 6.2645 10.6231 10.6231 11.8947 11.8947 12.3499 12.3499 13.5830 13.5830 13.8734 13.8734 k = 0.0000 0.0000 0.6319 ( 4606 PWs) bands (ev): -19.8821 -19.8821 -19.8095 -19.8095 -17.1630 -17.1630 -16.9504 -16.9504 -16.5643 -16.5643 -16.5575 -16.5575 -4.7327 -4.7327 -4.5405 -4.5405 -3.9999 -3.9999 -3.7918 -3.7918 -3.6653 -3.6653 -3.5800 -3.5800 -0.4309 -0.4309 0.3666 0.3666 0.8392 0.8392 0.9226 0.9226 1.2928 1.2928 1.4786 1.4786 1.6210 1.6210 2.0004 2.0004 2.1724 2.1724 2.2984 2.2984 2.4060 2.4060 2.4741 2.4741 5.1919 5.1919 5.2217 5.2217 5.3556 5.3556 6.2186 6.2186 6.2843 6.2843 10.7201 10.7201 11.9013 11.9013 12.3203 12.3203 13.6014 13.6014 13.9344 13.9344 k = 0.0000 0.0000 0.6553 ( 4610 PWs) bands (ev): -19.8780 -19.8780 -19.8086 -19.8086 -17.1562 -17.1562 -16.9543 -16.9543 -16.5646 -16.5646 -16.5598 -16.5598 -4.7382 -4.7382 -4.5473 -4.5473 -4.0075 -4.0075 -3.7991 -3.7991 -3.6749 -3.6749 -3.5843 -3.5843 -0.4693 -0.4693 0.3630 0.3630 0.8464 0.8464 0.9174 0.9174 1.2641 1.2641 1.4671 1.4671 1.6176 1.6176 2.0013 2.0013 2.1865 2.1865 2.2955 2.2955 2.4140 2.4140 2.4737 2.4737 5.2018 5.2018 5.2360 5.2360 5.3703 5.3703 6.2679 6.2679 6.3038 6.3038 10.8168 10.8168 11.9063 11.9063 12.2894 12.2894 13.6100 13.6100 13.9904 13.9904 k = 0.0000 0.0000 0.6787 ( 4610 PWs) bands (ev): -19.8739 -19.8739 -19.8078 -19.8078 -17.1493 -17.1493 -16.9582 -16.9582 -16.5648 -16.5648 -16.5620 -16.5620 -4.7440 -4.7440 -4.5545 -4.5545 -4.0150 -4.0150 -3.8068 -3.8068 -3.6853 -3.6853 -3.5890 -3.5890 -0.5073 -0.5073 0.3590 0.3590 0.8549 0.8549 0.9111 0.9111 1.2379 1.2379 1.4561 1.4561 1.6151 1.6151 2.0042 2.0042 2.2013 2.2013 2.2929 2.2929 2.4215 2.4215 2.4733 2.4733 5.2117 5.2117 5.2499 5.2499 5.3851 5.3851 6.3171 6.3171 6.3229 6.3229 10.9126 10.9126 11.9099 11.9099 12.2575 12.2575 13.6088 13.6088 14.0398 14.0398 k = 0.0000 0.0000 0.7021 ( 4622 PWs) bands (ev): -19.8698 -19.8698 -19.8071 -19.8071 -17.1424 -17.1424 -16.9621 -16.9621 -16.5649 -16.5649 -16.5642 -16.5642 -4.7500 -4.7500 -4.5619 -4.5619 -4.0224 -4.0224 -3.8150 -3.8150 -3.6965 -3.6965 -3.5940 -3.5940 -0.5447 -0.5447 0.3547 0.3547 0.8642 0.8642 0.9039 0.9039 1.2143 1.2143 1.4454 1.4454 1.6136 1.6136 2.0091 2.0091 2.2166 2.2166 2.2906 2.2906 2.4283 2.4283 2.4732 2.4732 5.2216 5.2216 5.2632 5.2632 5.4000 5.4000 6.3411 6.3411 6.3666 6.3666 11.0070 11.0070 11.9122 11.9122 12.2254 12.2254 13.5981 13.5981 14.0812 14.0812 k = 0.0000 0.0000 0.7255 ( 4618 PWs) bands (ev): -19.8659 -19.8659 -19.8063 -19.8063 -17.1354 -17.1354 -16.9659 -16.9659 -16.5664 -16.5664 -16.5648 -16.5648 -4.7561 -4.7561 -4.5695 -4.5695 -4.0297 -4.0297 -3.8235 -3.8235 -3.7085 -3.7085 -3.5993 -3.5993 -0.5816 -0.5816 0.3501 0.3501 0.8735 0.8735 0.8968 0.8968 1.1935 1.1935 1.4352 1.4352 1.6126 1.6126 2.0157 2.0157 2.2324 2.2324 2.2886 2.2886 2.4347 2.4347 2.4735 2.4735 5.2314 5.2314 5.2762 5.2762 5.4149 5.4149 6.3590 6.3590 6.4156 6.4156 11.0991 11.0991 11.9132 11.9132 12.1940 12.1940 13.5783 13.5783 14.1135 14.1135 k = 0.0000 0.0000 0.7489 ( 4624 PWs) bands (ev): -19.8620 -19.8620 -19.8057 -19.8057 -17.1283 -17.1283 -16.9696 -16.9696 -16.5685 -16.5685 -16.5647 -16.5647 -4.7624 -4.7624 -4.5774 -4.5774 -4.0369 -4.0369 -3.8324 -3.8324 -3.7210 -3.7210 -3.6049 -3.6049 -0.6178 -0.6178 0.3452 0.3452 0.8765 0.8765 0.8960 0.8960 1.1753 1.1753 1.4254 1.4254 1.6122 1.6122 2.0241 2.0241 2.2485 2.2485 2.2869 2.2869 2.4404 2.4404 2.4743 2.4743 5.2411 5.2411 5.2886 5.2886 5.4297 5.4297 6.3763 6.3763 6.4643 6.4643 11.1878 11.1878 11.9131 11.9131 12.1642 12.1642 13.5505 13.5505 14.1359 14.1359 k = 0.0000 0.0000 0.7723 ( 4616 PWs) bands (ev): -19.8582 -19.8582 -19.8050 -19.8050 -17.1213 -17.1213 -16.9733 -16.9733 -16.5707 -16.5707 -16.5646 -16.5646 -4.7688 -4.7688 -4.5855 -4.5855 -4.0439 -4.0439 -3.8415 -3.8415 -3.7342 -3.7342 -3.6107 -3.6107 -0.6533 -0.6533 0.3401 0.3401 0.8686 0.8686 0.9062 0.9062 1.1598 1.1598 1.4160 1.4160 1.6121 1.6121 2.0342 2.0342 2.2649 2.2649 2.2855 2.2855 2.4456 2.4456 2.4757 2.4757 5.2507 5.2507 5.3006 5.3006 5.4444 5.4444 6.3931 6.3931 6.5124 6.5124 11.2717 11.2717 11.9120 11.9120 12.1376 12.1376 13.5156 13.5156 14.1484 14.1484 k = 0.0000 0.0000 0.7957 ( 4620 PWs) bands (ev): -19.8545 -19.8545 -19.8044 -19.8044 -17.1142 -17.1142 -16.9770 -16.9770 -16.5728 -16.5728 -16.5643 -16.5643 -4.7752 -4.7752 -4.5938 -4.5938 -4.0507 -4.0507 -3.8510 -3.8510 -3.7477 -3.7477 -3.6165 -3.6165 -0.6880 -0.6880 0.3349 0.3349 0.8573 0.8573 0.9202 0.9202 1.1465 1.1465 1.4071 1.4071 1.6121 1.6121 2.0458 2.0458 2.2801 2.2801 2.2858 2.2858 2.4502 2.4502 2.4778 2.4778 5.2601 5.2601 5.3121 5.3121 5.4588 5.4588 6.4092 6.4092 6.5599 6.5599 11.3487 11.3487 11.9100 11.9100 12.1161 12.1161 13.4747 13.4747 14.1514 14.1514 k = 0.0000 0.0000 0.8191 ( 4620 PWs) bands (ev): -19.8509 -19.8509 -19.8039 -19.8039 -17.1072 -17.1072 -16.9805 -16.9805 -16.5748 -16.5748 -16.5639 -16.5639 -4.7817 -4.7817 -4.6022 -4.6022 -4.0573 -4.0573 -3.8607 -3.8607 -3.7616 -3.7616 -3.6224 -3.6224 -0.7217 -0.7217 0.3295 0.3295 0.8448 0.8448 0.9357 0.9357 1.1355 1.1355 1.3985 1.3985 1.6121 1.6121 2.0587 2.0587 2.2824 2.2824 2.2993 2.2993 2.4546 2.4546 2.4804 2.4804 5.2694 5.2694 5.3232 5.3232 5.4729 5.4729 6.4246 6.4246 6.6066 6.6066 11.4162 11.4162 11.9073 11.9073 12.1022 12.1022 13.4287 13.4287 14.1458 14.1458 k = 0.0000 0.0000 0.8425 ( 4618 PWs) bands (ev): -19.8475 -19.8475 -19.8034 -19.8034 -17.1003 -17.1003 -16.9840 -16.9840 -16.5769 -16.5769 -16.5635 -16.5635 -4.7882 -4.7882 -4.6107 -4.6107 -4.0637 -4.0637 -3.8705 -3.8705 -3.7757 -3.7757 -3.6283 -3.6283 -0.7545 -0.7545 0.3241 0.3241 0.8318 0.8318 0.9524 0.9524 1.1263 1.1263 1.3904 1.3904 1.6118 1.6118 2.0728 2.0728 2.2817 2.2817 2.3160 2.3160 2.4587 2.4587 2.4835 2.4835 5.2784 5.2784 5.3339 5.3339 5.4867 5.4867 6.4394 6.4394 6.6523 6.6523 11.4713 11.4713 11.9040 11.9040 12.0987 12.0987 13.3789 13.3789 14.1330 14.1330 k = 0.0000 0.0000 0.8659 ( 4616 PWs) bands (ev): -19.8442 -19.8442 -19.8029 -19.8029 -17.0935 -17.0935 -16.9873 -16.9873 -16.5788 -16.5788 -16.5630 -16.5630 -4.7947 -4.7947 -4.6192 -4.6192 -4.0699 -4.0699 -3.8804 -3.8804 -3.7899 -3.7899 -3.6342 -3.6342 -0.7862 -0.7862 0.3186 0.3186 0.8186 0.8186 0.9700 0.9700 1.1187 1.1187 1.3827 1.3827 1.6111 1.6111 2.0880 2.0880 2.2811 2.2811 2.3327 2.3327 2.4629 2.4629 2.4870 2.4870 5.2871 5.2871 5.3440 5.3440 5.5000 5.5000 6.4535 6.4535 6.6969 6.6969 11.5111 11.5111 11.9001 11.9001 12.1084 12.1084 13.3261 13.3261 14.1142 14.1142 k = 0.0000 0.0000 0.8893 ( 4616 PWs) bands (ev): -19.8410 -19.8410 -19.8025 -19.8025 -17.0868 -17.0868 -16.9906 -16.9906 -16.5808 -16.5808 -16.5624 -16.5624 -4.8011 -4.8011 -4.6278 -4.6278 -4.0758 -4.0758 -3.8903 -3.8903 -3.8041 -3.8041 -3.6399 -3.6399 -0.8167 -0.8167 0.3131 0.3131 0.8055 0.8055 0.9883 0.9883 1.1125 1.1125 1.3755 1.3755 1.6099 1.6099 2.1039 2.1039 2.2806 2.2806 2.3493 2.3493 2.4672 2.4672 2.4908 2.4908 5.2956 5.2956 5.3538 5.3538 5.5129 5.5129 6.4670 6.4670 6.7403 6.7403 11.5345 11.5345 11.8957 11.8957 12.1322 12.1322 13.2713 13.2713 14.0909 14.0909 k = 0.0000 0.0000 0.9127 ( 4608 PWs) bands (ev): -19.8380 -19.8380 -19.8021 -19.8021 -17.0802 -17.0802 -16.9937 -16.9937 -16.5827 -16.5827 -16.5618 -16.5618 -4.8074 -4.8074 -4.6363 -4.6363 -4.0815 -4.0815 -3.9001 -3.9001 -3.8182 -3.8182 -3.6455 -3.6455 -0.8460 -0.8460 0.3077 0.3077 0.7928 0.7928 1.0071 1.0071 1.1076 1.1076 1.3687 1.3687 1.6079 1.6079 2.1206 2.1206 2.2802 2.2802 2.3656 2.3656 2.4718 2.4718 2.4948 2.4948 5.3037 5.3037 5.3630 5.3630 5.5252 5.5252 6.4797 6.4797 6.7823 6.7823 11.5426 11.5426 11.8910 11.8910 12.1687 12.1687 13.2155 13.2155 14.0642 14.0642 k = 0.0000 0.0000 0.9361 ( 4606 PWs) bands (ev): -19.8351 -19.8351 -19.8018 -19.8018 -17.0738 -17.0738 -16.9966 -16.9966 -16.5846 -16.5846 -16.5611 -16.5611 -4.8135 -4.8135 -4.6447 -4.6447 -4.0869 -4.0869 -3.9097 -3.9097 -3.8321 -3.8321 -3.6508 -3.6508 -0.8740 -0.8740 0.3023 0.3023 0.7805 0.7805 1.0261 1.0261 1.1040 1.1040 1.3623 1.3623 1.6051 1.6051 2.1376 2.1376 2.2800 2.2800 2.3815 2.3815 2.4766 2.4766 2.4990 2.4990 5.3115 5.3115 5.3718 5.3718 5.5369 5.5369 6.4917 6.4917 6.8227 6.8227 11.5387 11.5387 11.8860 11.8860 12.2143 12.2143 13.1593 13.1593 14.0352 14.0352 k = 0.0000 0.0000 0.9596 ( 4606 PWs) bands (ev): -19.8324 -19.8324 -19.8015 -19.8015 -17.0676 -17.0676 -16.9994 -16.9994 -16.5864 -16.5864 -16.5604 -16.5604 -4.8195 -4.8195 -4.6530 -4.6530 -4.0921 -4.0921 -3.9191 -3.9191 -3.8458 -3.8458 -3.6560 -3.6560 -0.9005 -0.9005 0.2971 0.2971 0.7688 0.7688 1.0448 1.0448 1.1018 1.1018 1.3563 1.3563 1.6015 1.6015 2.1549 2.1549 2.2799 2.2799 2.3969 2.3969 2.4816 2.4816 2.5035 2.5035 5.3189 5.3189 5.3801 5.3801 5.5481 5.5481 6.5030 6.5030 6.8613 6.8613 11.5262 11.5262 11.8809 11.8809 12.2654 12.2654 13.1035 13.1035 14.0048 14.0048 k = 0.0000 0.0000 0.9830 ( 4614 PWs) bands (ev): -19.8299 -19.8299 -19.8012 -19.8012 -17.0617 -17.0617 -17.0021 -17.0021 -16.5881 -16.5881 -16.5598 -16.5598 -4.8252 -4.8252 -4.6610 -4.6610 -4.0971 -4.0971 -3.9280 -3.9280 -3.8591 -3.8591 -3.6608 -3.6608 -0.9256 -0.9256 0.2921 0.2921 0.7578 0.7578 1.0620 1.0620 1.1020 1.1020 1.3508 1.3508 1.5969 1.5969 2.1722 2.1722 2.2798 2.2798 2.4117 2.4117 2.4865 2.4865 2.5082 2.5082 5.3259 5.3259 5.3879 5.3879 5.5586 5.5586 6.5135 6.5135 6.8982 6.8982 11.5083 11.5083 11.8758 11.8758 12.3184 12.3184 13.0488 13.0488 13.9738 13.9738 k = 0.0000 0.0000 1.0064 ( 4616 PWs) bands (ev): -19.8275 -19.8275 -19.8010 -19.8010 -17.0560 -17.0560 -17.0046 -17.0046 -16.5898 -16.5898 -16.5591 -16.5591 -4.8307 -4.8307 -4.6688 -4.6688 -4.1017 -4.1017 -3.9364 -3.9364 -3.8719 -3.8719 -3.6653 -3.6653 -0.9492 -0.9492 0.2873 0.2873 0.7476 0.7476 1.0744 1.0744 1.1076 1.1076 1.3457 1.3457 1.5913 1.5913 2.1893 2.1893 2.2798 2.2798 2.4258 2.4258 2.4912 2.4912 2.5135 2.5135 5.3325 5.3325 5.3951 5.3951 5.5684 5.5684 6.5233 6.5233 6.9330 6.9330 11.4872 11.4872 11.8708 11.8708 12.3709 12.3709 12.9958 12.9958 13.9429 13.9429 k = 0.0000 0.0000 1.0298 ( 4608 PWs) bands (ev): -19.8253 -19.8253 -19.8008 -19.8008 -17.0507 -17.0507 -17.0069 -17.0069 -16.5914 -16.5914 -16.5584 -16.5584 -4.8359 -4.8359 -4.6762 -4.6762 -4.1062 -4.1062 -3.9443 -3.9443 -3.8842 -3.8842 -3.6696 -3.6696 -0.9711 -0.9711 0.2827 0.2827 0.7381 0.7381 1.0797 1.0797 1.1208 1.1208 1.3411 1.3411 1.5847 1.5847 2.2059 2.2059 2.2799 2.2799 2.4390 2.4390 2.4956 2.4956 2.5192 2.5192 5.3386 5.3386 5.4019 5.4019 5.5776 5.5776 6.5324 6.5324 6.9657 6.9657 11.4646 11.4646 11.8659 11.8659 12.4209 12.4209 12.9450 12.9450 13.9127 13.9127 k = 0.0000 0.0000 1.0532 ( 4614 PWs) bands (ev): -19.8233 -19.8233 -19.8006 -19.8006 -17.0456 -17.0456 -17.0091 -17.0091 -16.5929 -16.5929 -16.5577 -16.5577 -4.8408 -4.8408 -4.6832 -4.6832 -4.1103 -4.1103 -3.9514 -3.9514 -3.8959 -3.8959 -3.6735 -3.6735 -0.9914 -0.9914 0.2785 0.2785 0.7295 0.7295 1.0808 1.0808 1.1383 1.1383 1.3369 1.3369 1.5773 1.5773 2.2219 2.2219 2.2801 2.2801 2.4514 2.4514 2.4996 2.4996 2.5253 2.5253 5.3443 5.3443 5.4081 5.4081 5.5859 5.5859 6.5406 6.5406 6.9961 6.9961 11.4417 11.4417 11.8612 11.8612 12.4673 12.4673 12.8970 12.8970 13.8836 13.8836 k = 0.0000 0.0000 1.0766 ( 4610 PWs) bands (ev): -19.8214 -19.8214 -19.8005 -19.8005 -17.0410 -17.0410 -17.0111 -17.0111 -16.5943 -16.5943 -16.5571 -16.5571 -4.8453 -4.8453 -4.6898 -4.6898 -4.1141 -4.1141 -3.9579 -3.9579 -3.9069 -3.9069 -3.6770 -3.6770 -1.0099 -1.0099 0.2745 0.2745 0.7217 0.7217 1.0806 1.0806 1.1570 1.1570 1.3332 1.3332 1.5690 1.5690 2.2371 2.2371 2.2803 2.2803 2.4627 2.4627 2.5031 2.5031 2.5317 2.5317 5.3495 5.3495 5.4138 5.4138 5.5936 5.5936 6.5481 6.5481 7.0241 7.0241 11.4194 11.4194 11.8568 11.8568 12.5092 12.5092 12.8522 12.8522 13.8561 13.8561 k = 0.0000 0.0000 1.1000 ( 4610 PWs) bands (ev): -19.8198 -19.8198 -19.8003 -19.8003 -17.0367 -17.0367 -17.0128 -17.0128 -16.5956 -16.5956 -16.5565 -16.5565 -4.8494 -4.8494 -4.6959 -4.6959 -4.1177 -4.1177 -3.9635 -3.9635 -3.9172 -3.9172 -3.6802 -3.6802 -1.0266 -1.0266 0.2709 0.2709 0.7148 0.7148 1.0800 1.0800 1.1758 1.1758 1.3300 1.3300 1.5600 1.5600 2.2511 2.2511 2.2806 2.2806 2.4728 2.4728 2.5063 2.5063 2.5382 2.5382 5.3542 5.3542 5.4189 5.4189 5.6006 5.6006 6.5549 6.5549 7.0495 7.0495 11.3982 11.3982 11.8528 11.8528 12.5462 12.5462 12.8111 12.8111 13.8306 13.8306 k = 0.0000 0.0000 1.1234 ( 4604 PWs) bands (ev): -19.8183 -19.8183 -19.8002 -19.8002 -17.0329 -17.0329 -17.0144 -17.0144 -16.5967 -16.5967 -16.5559 -16.5559 -4.8531 -4.8531 -4.7014 -4.7014 -4.1209 -4.1209 -3.9682 -3.9682 -3.9267 -3.9267 -3.6831 -3.6831 -1.0414 -1.0414 0.2677 0.2677 0.7087 0.7087 1.0794 1.0794 1.1941 1.1941 1.3274 1.3274 1.5505 1.5505 2.2637 2.2637 2.2811 2.2811 2.4817 2.4817 2.5092 2.5092 2.5445 2.5445 5.3584 5.3584 5.4235 5.4235 5.6067 5.6067 6.5608 6.5608 7.0723 7.0723 11.3787 11.3787 11.8490 11.8490 12.5780 12.5780 12.7739 12.7739 13.8074 13.8074 k = 0.0000 0.0000 1.1468 ( 4596 PWs) bands (ev): -19.8171 -19.8171 -19.8001 -19.8001 -17.0295 -17.0295 -17.0157 -17.0157 -16.5978 -16.5978 -16.5554 -16.5554 -4.8564 -4.8564 -4.7063 -4.7063 -4.1237 -4.1237 -3.9720 -3.9720 -3.9354 -3.9354 -3.6855 -3.6855 -1.0544 -1.0544 0.2648 0.2648 0.7035 0.7035 1.0787 1.0787 1.2114 1.2114 1.3253 1.3253 1.5408 1.5408 2.2741 2.2741 2.2826 2.2826 2.4892 2.4892 2.5121 2.5121 2.5504 2.5504 5.3620 5.3620 5.4274 5.4274 5.6121 5.6121 6.5660 6.5660 7.0923 7.0923 11.3613 11.3613 11.8458 11.8458 12.6049 12.6049 12.7410 12.7410 13.7867 13.7867 k = 0.0000 0.0000 1.1702 ( 4612 PWs) bands (ev): -19.8160 -19.8160 -19.8001 -19.8001 -17.0267 -17.0267 -17.0169 -17.0169 -16.5987 -16.5987 -16.5550 -16.5550 -4.8592 -4.8592 -4.7105 -4.7105 -4.1262 -4.1262 -3.9749 -3.9749 -3.9431 -3.9431 -3.6876 -3.6876 -1.0655 -1.0655 0.2624 0.2624 0.6990 0.6990 1.0782 1.0782 1.2272 1.2272 1.3239 1.3239 1.5311 1.5311 2.2788 2.2788 2.2881 2.2881 2.4952 2.4952 2.5149 2.5149 2.5558 2.5558 5.3651 5.3651 5.4308 5.4308 5.6166 5.6166 6.5703 6.5703 7.1093 7.1093 11.3461 11.3461 11.8429 11.8429 12.6268 12.6268 12.7127 12.7127 13.7688 13.7688 k = 0.0000 0.0000 1.1936 ( 4608 PWs) bands (ev): -19.8151 -19.8151 -19.8000 -19.8000 -17.0243 -17.0243 -17.0178 -17.0178 -16.5994 -16.5994 -16.5546 -16.5546 -4.8615 -4.8615 -4.7140 -4.7140 -4.1282 -4.1282 -3.9769 -3.9769 -3.9499 -3.9499 -3.6894 -3.6894 -1.0746 -1.0746 0.2604 0.2604 0.6954 0.6954 1.0777 1.0777 1.2410 1.2410 1.3231 1.3231 1.5219 1.5219 2.2798 2.2798 2.2956 2.2956 2.4996 2.4996 2.5177 2.5177 2.5604 2.5604 5.3677 5.3677 5.4336 5.4336 5.6203 5.6203 6.5739 6.5739 7.1233 7.1233 11.3334 11.3334 11.8406 11.8406 12.6442 12.6442 12.6892 12.6892 13.7539 13.7539 k = 0.0000 0.0000 1.2170 ( 4602 PWs) bands (ev): -19.8144 -19.8144 -19.8000 -19.8000 -17.0226 -17.0226 -17.0184 -17.0184 -16.6000 -16.6000 -16.5543 -16.5543 -4.8633 -4.8633 -4.7168 -4.7168 -4.1299 -4.1299 -3.9781 -3.9781 -3.9557 -3.9557 -3.6907 -3.6907 -1.0817 -1.0817 0.2588 0.2588 0.6926 0.6926 1.0773 1.0773 1.2524 1.2524 1.3230 1.3230 1.5137 1.5137 2.2802 2.2802 2.3021 2.3021 2.5027 2.5027 2.5203 2.5203 2.5642 2.5642 5.3697 5.3697 5.4357 5.4357 5.6232 5.6232 6.5767 6.5767 7.1344 7.1344 11.3234 11.3234 11.8387 11.8387 12.6574 12.6574 12.6707 12.6707 13.7422 13.7422 k = 0.0000 0.0000 1.2404 ( 4598 PWs) bands (ev): -19.8139 -19.8139 -19.7999 -19.7999 -17.0214 -17.0214 -17.0187 -17.0187 -16.6005 -16.6005 -16.5541 -16.5541 -4.8646 -4.8646 -4.7188 -4.7188 -4.1311 -4.1311 -3.9785 -3.9785 -3.9602 -3.9602 -3.6917 -3.6917 -1.0867 -1.0867 0.2576 0.2576 0.6906 0.6906 1.0771 1.0771 1.2607 1.2607 1.3233 1.3233 1.5072 1.5072 2.2804 2.2804 2.3068 2.3068 2.5047 2.5047 2.5224 2.5224 2.5670 2.5670 5.3711 5.3711 5.4373 5.4373 5.6253 5.6253 6.5787 6.5787 7.1424 7.1424 11.3161 11.3161 11.8374 11.8374 12.6574 12.6574 12.6665 12.6665 13.7337 13.7337 k = 0.0000 0.0000 1.2638 ( 4596 PWs) bands (ev): -19.8136 -19.8136 -19.7999 -19.7999 -17.0210 -17.0210 -17.0186 -17.0186 -16.6007 -16.6007 -16.5540 -16.5540 -4.8654 -4.8654 -4.7200 -4.7200 -4.1318 -4.1318 -3.9785 -3.9785 -3.9632 -3.9632 -3.6922 -3.6922 -1.0898 -1.0898 0.2570 0.2570 0.6894 0.6894 1.0769 1.0769 1.2658 1.2658 1.3238 1.3238 1.5030 1.5030 2.2805 2.2805 2.3096 2.3096 2.5057 2.5057 2.5238 2.5238 2.5687 2.5687 5.3720 5.3720 5.4382 5.4382 5.6266 5.6266 6.5799 6.5799 7.1471 7.1471 11.3117 11.3117 11.8365 11.8365 12.6494 12.6494 12.6719 12.6719 13.7286 13.7286 k = 0.0000 0.0000 1.2872 ( 4604 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5539 -16.5539 -4.8657 -4.8657 -4.7204 -4.7204 -4.1320 -4.1320 -3.9784 -3.9784 -3.9642 -3.9642 -3.6924 -3.6924 -1.0908 -1.0908 0.2567 0.2567 0.6890 0.6890 1.0768 1.0768 1.2674 1.2674 1.3241 1.3241 1.5015 1.5015 2.2805 2.2805 2.3106 2.3106 2.5061 2.5061 2.5242 2.5242 2.5692 2.5692 5.3722 5.3722 5.4385 5.4385 5.6270 5.6270 6.5803 6.5803 7.1487 7.1487 11.3103 11.3103 11.8363 11.8363 12.6467 12.6467 12.6737 12.6737 13.7269 13.7269 k = 0.0000 0.0000 1.2872 ( 4604 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5539 -16.5539 -4.8657 -4.8657 -4.7204 -4.7204 -4.1320 -4.1320 -3.9784 -3.9784 -3.9642 -3.9642 -3.6924 -3.6924 -1.0908 -1.0908 0.2567 0.2567 0.6890 0.6890 1.0768 1.0768 1.2674 1.2674 1.3241 1.3241 1.5015 1.5015 2.2805 2.2805 2.3106 2.3106 2.5061 2.5061 2.5242 2.5242 2.5692 2.5692 5.3722 5.3722 5.4385 5.4385 5.6270 5.6270 6.5803 6.5803 7.1487 7.1487 11.3103 11.3103 11.8363 11.8363 12.6467 12.6467 12.6737 12.6737 13.7269 13.7269 k =-0.0089 0.0211 1.2872 ( 4606 PWs) bands (ev): -19.8136 -19.8136 -19.8000 -19.8000 -17.0210 -17.0210 -17.0187 -17.0187 -16.6007 -16.6007 -16.5540 -16.5540 -4.8652 -4.8652 -4.7202 -4.7202 -4.1314 -4.1314 -3.9781 -3.9781 -3.9639 -3.9639 -3.6925 -3.6925 -1.0898 -1.0898 0.2569 0.2569 0.6894 0.6894 1.0769 1.0769 1.2675 1.2675 1.3232 1.3232 1.5022 1.5022 2.2796 2.2796 2.3106 2.3106 2.5054 2.5054 2.5236 2.5236 2.5691 2.5691 5.3720 5.3720 5.4382 5.4382 5.6265 5.6265 6.5800 6.5800 7.1472 7.1472 11.3116 11.3116 11.8350 11.8350 12.6493 12.6493 12.6751 12.6751 13.7225 13.7225 k =-0.0178 0.0422 1.2872 ( 4602 PWs) bands (ev): -19.8137 -19.8137 -19.8002 -19.8002 -17.0215 -17.0215 -17.0187 -17.0187 -16.6005 -16.6005 -16.5540 -16.5540 -4.8636 -4.8636 -4.7197 -4.7197 -4.1295 -4.1295 -3.9771 -3.9771 -3.9630 -3.9630 -3.6929 -3.6929 -1.0867 -1.0867 0.2576 0.2576 0.6904 0.6904 1.0772 1.0772 1.2675 1.2675 1.3206 1.3206 1.5042 1.5042 2.2768 2.2768 2.3104 2.3104 2.5035 2.5035 2.5216 2.5216 2.5686 2.5686 5.3712 5.3712 5.4374 5.4374 5.6253 5.6253 6.5790 6.5790 7.1426 7.1426 11.3155 11.3155 11.8312 11.8312 12.6572 12.6572 12.6794 12.6794 13.7098 13.7098 k =-0.0267 0.0632 1.2872 ( 4606 PWs) bands (ev): -19.8138 -19.8138 -19.8006 -19.8006 -17.0227 -17.0227 -17.0185 -17.0185 -16.6000 -16.6000 -16.5540 -16.5540 -4.8610 -4.8610 -4.7188 -4.7188 -4.1263 -4.1263 -3.9755 -3.9755 -3.9614 -3.9614 -3.6934 -3.6934 -1.0816 -1.0816 0.2587 0.2587 0.6921 0.6921 1.0777 1.0777 1.2675 1.2675 1.3166 1.3166 1.5073 1.5073 2.2722 2.2722 2.3102 2.3102 2.5003 2.5003 2.5184 2.5184 2.5678 2.5678 5.3698 5.3698 5.4359 5.4359 5.6233 5.6233 6.5773 6.5773 7.1349 7.1349 11.3219 11.3219 11.8250 11.8250 12.6702 12.6702 12.6865 12.6865 13.6891 13.6891 k =-0.0355 0.0843 1.2872 ( 4610 PWs) bands (ev): -19.8140 -19.8140 -19.8010 -19.8010 -17.0246 -17.0246 -17.0179 -17.0179 -16.5995 -16.5995 -16.5541 -16.5541 -4.8575 -4.8575 -4.7176 -4.7176 -4.1218 -4.1218 -3.9732 -3.9732 -3.9593 -3.9593 -3.6942 -3.6942 -1.0744 -1.0744 0.2603 0.2603 0.6945 0.6945 1.0784 1.0784 1.2671 1.2671 1.3115 1.3115 1.5114 1.5114 2.2658 2.2658 2.3099 2.3099 2.4959 2.4959 2.5140 2.5140 2.5666 2.5666 5.3679 5.3679 5.4339 5.4339 5.6205 5.6205 6.5749 6.5749 7.1243 7.1243 11.3309 11.3309 11.8164 11.8164 12.6878 12.6878 12.6965 12.6965 13.6611 13.6611 k =-0.0444 0.1054 1.2872 ( 4608 PWs) bands (ev): -19.8142 -19.8142 -19.8017 -19.8017 -17.0271 -17.0271 -17.0170 -17.0170 -16.5987 -16.5987 -16.5542 -16.5542 -4.8529 -4.8529 -4.7161 -4.7161 -4.1161 -4.1161 -3.9703 -3.9703 -3.9566 -3.9566 -3.6951 -3.6951 -1.0652 -1.0652 0.2622 0.2622 0.6975 0.6975 1.0793 1.0793 1.2661 1.2661 1.3062 1.3062 1.5160 1.5160 2.2577 2.2577 2.3096 2.3096 2.4904 2.4904 2.5084 2.5084 2.5652 2.5652 5.3655 5.3655 5.4314 5.4314 5.6169 5.6169 6.5719 6.5719 7.1107 7.1107 11.3423 11.3423 11.8056 11.8056 12.7061 12.7061 12.7130 12.7130 13.6269 13.6269 k =-0.0444 0.1054 1.2872 ( 4608 PWs) bands (ev): -19.8142 -19.8142 -19.8017 -19.8017 -17.0271 -17.0271 -17.0170 -17.0170 -16.5987 -16.5987 -16.5542 -16.5542 -4.8529 -4.8529 -4.7161 -4.7161 -4.1161 -4.1161 -3.9703 -3.9703 -3.9566 -3.9566 -3.6951 -3.6951 -1.0652 -1.0652 0.2622 0.2622 0.6975 0.6975 1.0793 1.0793 1.2661 1.2661 1.3062 1.3062 1.5160 1.5160 2.2577 2.2577 2.3096 2.3096 2.4904 2.4904 2.5084 2.5084 2.5652 2.5652 5.3655 5.3655 5.4314 5.4314 5.6169 5.6169 6.5719 6.5719 7.1107 7.1107 11.3423 11.3423 11.8056 11.8056 12.7061 12.7061 12.7130 12.7130 13.6269 13.6269 k =-0.0508 0.1204 1.2709 ( 4605 PWs) bands (ev): -19.8145 -19.8145 -19.8022 -19.8022 -17.0292 -17.0292 -17.0164 -17.0164 -16.5981 -16.5981 -16.5543 -16.5543 -4.8490 -4.8490 -4.7146 -4.7146 -4.1112 -4.1112 -3.9679 -3.9679 -3.9538 -3.9538 -3.6958 -3.6958 -1.0570 -1.0570 0.2640 0.2640 0.7002 0.7002 1.0802 1.0802 1.2641 1.2641 1.3023 1.3023 1.5203 1.5203 2.2510 2.2510 2.3089 2.3089 2.4855 2.4855 2.5035 2.5035 2.5638 2.5638 5.3633 5.3633 5.4291 5.4291 5.6137 5.6137 6.5691 6.5691 7.0986 7.0986 11.3526 11.3526 11.7968 11.7968 12.7161 12.7161 12.7324 12.7324 13.6001 13.6001 k =-0.0571 0.1354 1.2546 ( 4603 PWs) bands (ev): -19.8149 -19.8149 -19.8028 -19.8028 -17.0317 -17.0317 -17.0157 -17.0157 -16.5973 -16.5973 -16.5544 -16.5544 -4.8443 -4.8443 -4.7126 -4.7126 -4.1054 -4.1054 -3.9652 -3.9652 -3.9499 -3.9499 -3.6964 -3.6964 -1.0469 -1.0469 0.2662 0.2662 0.7036 0.7036 1.0812 1.0812 1.2606 1.2606 1.2977 1.2977 1.5261 1.5261 2.2434 2.2434 2.3073 2.3073 2.4797 2.4797 2.4976 2.4976 2.5618 2.5618 5.3605 5.3605 5.4264 5.4264 5.6098 5.6098 6.5654 6.5654 7.0838 7.0838 11.3653 11.3653 11.7876 11.7876 12.7249 12.7249 12.7570 12.7570 13.5725 13.5725 k =-0.0634 0.1504 1.2383 ( 4608 PWs) bands (ev): -19.8154 -19.8154 -19.8035 -19.8035 -17.0344 -17.0344 -17.0150 -17.0150 -16.5964 -16.5964 -16.5546 -16.5546 -4.8391 -4.8391 -4.7101 -4.7101 -4.0989 -4.0989 -3.9620 -3.9620 -3.9449 -3.9449 -3.6968 -3.6968 -1.0349 -1.0349 0.2689 0.2689 0.7076 0.7076 1.0825 1.0825 1.2559 1.2559 1.2922 1.2922 1.5333 1.5333 2.2350 2.2350 2.3049 2.3049 2.4727 2.4727 2.4907 2.4907 2.5594 2.5594 5.3570 5.3570 5.4234 5.4234 5.6051 5.6051 6.5606 6.5606 7.0664 7.0664 11.3803 11.3803 11.7780 11.7780 12.7329 12.7329 12.7862 12.7862 13.5444 13.5444 k =-0.0697 0.1654 1.2220 ( 4600 PWs) bands (ev): -19.8160 -19.8160 -19.8042 -19.8042 -17.0374 -17.0374 -17.0143 -17.0143 -16.5953 -16.5953 -16.5548 -16.5548 -4.8332 -4.8332 -4.7071 -4.7071 -4.0916 -4.0916 -3.9582 -3.9582 -3.9390 -3.9390 -3.6971 -3.6971 -1.0211 -1.0211 0.2720 0.2720 0.7123 0.7123 1.0841 1.0841 1.2502 1.2502 1.2857 1.2857 1.5418 1.5418 2.2259 2.2259 2.3015 2.3015 2.4647 2.4647 2.4829 2.4829 2.5567 2.5567 5.3527 5.3527 5.4201 5.4201 5.5998 5.5998 6.5546 6.5546 7.0468 7.0468 11.3975 11.3975 11.7681 11.7681 12.7403 12.7403 12.8197 12.8197 13.5163 13.5163 k =-0.0761 0.1804 1.2058 ( 4598 PWs) bands (ev): -19.8167 -19.8167 -19.8050 -19.8050 -17.0407 -17.0407 -17.0137 -17.0137 -16.5942 -16.5942 -16.5551 -16.5551 -4.8267 -4.8267 -4.7036 -4.7036 -4.0837 -4.0837 -3.9538 -3.9538 -3.9323 -3.9323 -3.6973 -3.6973 -1.0057 -1.0057 0.2756 0.2756 0.7175 0.7175 1.0860 1.0860 1.2439 1.2439 1.2781 1.2781 1.5513 1.5513 2.2161 2.2161 2.2974 2.2974 2.4553 2.4553 2.4743 2.4743 2.5536 2.5536 5.3475 5.3475 5.4167 5.4167 5.5939 5.5939 6.5472 6.5472 7.0253 7.0253 11.4165 11.4165 11.7582 11.7582 12.7469 12.7469 12.8572 12.8572 13.4884 13.4884 k =-0.0824 0.1954 1.1895 ( 4598 PWs) bands (ev): -19.8175 -19.8175 -19.8059 -19.8059 -17.0442 -17.0442 -17.0130 -17.0130 -16.5929 -16.5929 -16.5554 -16.5554 -4.8197 -4.8197 -4.6997 -4.6997 -4.0751 -4.0751 -3.9486 -3.9486 -3.9249 -3.9249 -3.6973 -3.6973 -0.9886 -0.9886 0.2797 0.2797 0.7233 0.7233 1.0882 1.0882 1.2369 1.2369 1.2697 1.2697 1.5617 1.5617 2.2056 2.2056 2.2925 2.2925 2.4448 2.4448 2.4650 2.4650 2.5504 2.5504 5.3416 5.3416 5.4131 5.4131 5.5874 5.5874 6.5381 6.5381 7.0022 7.0022 11.4373 11.4373 11.7482 11.7482 12.7528 12.7528 12.8986 12.8986 13.4610 13.4610 k =-0.0887 0.2105 1.1732 ( 4598 PWs) bands (ev): -19.8184 -19.8184 -19.8068 -19.8068 -17.0480 -17.0480 -17.0123 -17.0123 -16.5916 -16.5916 -16.5558 -16.5558 -4.8122 -4.8122 -4.6954 -4.6954 -4.0661 -4.0661 -3.9427 -3.9427 -3.9169 -3.9169 -3.6970 -3.6970 -0.9701 -0.9701 0.2842 0.2842 0.7296 0.7296 1.0908 1.0908 1.2293 1.2293 1.2605 1.2605 1.5727 1.5727 2.1945 2.1945 2.2869 2.2869 2.4329 2.4329 2.4549 2.4549 2.5472 2.5472 5.3348 5.3348 5.4096 5.4096 5.5804 5.5804 6.5271 6.5271 6.9780 6.9780 11.4594 11.4594 11.7384 11.7384 12.7579 12.7579 12.9436 12.9436 13.4345 13.4345 k =-0.0950 0.2255 1.1569 ( 4606 PWs) bands (ev): -19.8194 -19.8194 -19.8077 -19.8077 -17.0519 -17.0519 -17.0116 -17.0116 -16.5902 -16.5902 -16.5562 -16.5562 -4.8042 -4.8042 -4.6908 -4.6908 -4.0565 -4.0565 -3.9361 -3.9361 -3.9082 -3.9082 -3.6966 -3.6966 -0.9501 -0.9501 0.2892 0.2892 0.7363 0.7363 1.0938 1.0938 1.2208 1.2208 1.2509 1.2509 1.5842 1.5842 2.1828 2.1828 2.2806 2.2806 2.4197 2.4197 2.4442 2.4442 2.5439 2.5439 5.3271 5.3271 5.4060 5.4060 5.5730 5.5730 6.5136 6.5136 6.9532 6.9532 11.4825 11.4825 11.7287 11.7287 12.7621 12.7621 12.9921 12.9921 13.4092 13.4092 k =-0.1014 0.2405 1.1406 ( 4604 PWs) bands (ev): -19.8205 -19.8205 -19.8087 -19.8087 -17.0561 -17.0561 -17.0108 -17.0108 -16.5888 -16.5888 -16.5566 -16.5566 -4.7959 -4.7959 -4.6858 -4.6858 -4.0466 -4.0466 -3.9287 -3.9287 -3.8990 -3.8990 -3.6960 -3.6960 -0.9290 -0.9290 0.2947 0.2947 0.7434 0.7434 1.0973 1.0973 1.2114 1.2114 1.2413 1.2413 1.5960 1.5960 2.1706 2.1706 2.2738 2.2738 2.4053 2.4053 2.4329 2.4329 2.5406 2.5406 5.3187 5.3187 5.4026 5.4026 5.5653 5.5653 6.4975 6.4975 6.9284 6.9284 11.5063 11.5063 11.7193 11.7193 12.7655 12.7655 13.0439 13.0439 13.3854 13.3854 k =-0.1077 0.2555 1.1243 ( 4606 PWs) bands (ev): -19.8216 -19.8216 -19.8098 -19.8098 -17.0603 -17.0603 -17.0101 -17.0101 -16.5873 -16.5873 -16.5570 -16.5570 -4.7872 -4.7872 -4.6805 -4.6805 -4.0364 -4.0364 -3.9207 -3.9207 -3.8891 -3.8891 -3.6951 -3.6951 -0.9067 -0.9067 0.3007 0.3007 0.7508 0.7508 1.1013 1.1013 1.2005 1.2005 1.2322 1.2322 1.6080 1.6080 2.1579 2.1579 2.2666 2.2666 2.3898 2.3898 2.4210 2.4210 2.5375 2.5375 5.3095 5.3095 5.3991 5.3991 5.5572 5.5572 6.4783 6.4783 6.9041 6.9041 11.5303 11.5303 11.7102 11.7102 12.7679 12.7679 13.0988 13.0988 13.3635 13.3635 k =-0.1140 0.2705 1.1080 ( 4603 PWs) bands (ev): -19.8228 -19.8228 -19.8108 -19.8108 -17.0648 -17.0648 -17.0093 -17.0093 -16.5857 -16.5857 -16.5575 -16.5575 -4.7783 -4.7783 -4.6750 -4.6750 -4.0260 -4.0260 -3.9120 -3.9120 -3.8787 -3.8787 -3.6939 -3.6939 -0.8834 -0.8834 0.3072 0.3072 0.7584 0.7584 1.1057 1.1057 1.1882 1.1882 1.2238 1.2238 1.6202 1.6202 2.1447 2.1447 2.2590 2.2590 2.3731 2.3731 2.4085 2.4085 2.5345 2.5345 5.2997 5.2997 5.3957 5.3957 5.5490 5.5490 6.4556 6.4556 6.8810 6.8810 11.5540 11.5540 11.7014 11.7014 12.7695 12.7695 13.1567 13.1567 13.3441 13.3441 k =-0.1204 0.2855 1.0917 ( 4603 PWs) bands (ev): -19.8241 -19.8241 -19.8119 -19.8119 -17.0693 -17.0693 -17.0085 -17.0085 -16.5842 -16.5842 -16.5580 -16.5580 -4.7692 -4.7692 -4.6693 -4.6693 -4.0155 -4.0155 -3.9029 -3.9029 -3.8677 -3.8677 -3.6925 -3.6925 -0.8593 -0.8593 0.3141 0.3141 0.7662 0.7662 1.1106 1.1106 1.1747 1.1747 1.2164 1.2164 1.6323 1.6323 2.1311 2.1311 2.2512 2.2512 2.3554 2.3554 2.3956 2.3956 2.5317 2.5317 5.2892 5.2892 5.3923 5.3923 5.5406 5.5406 6.4292 6.4292 6.8594 6.8594 11.5770 11.5770 11.6930 11.6930 12.7701 12.7701 13.2172 13.2172 13.3275 13.3275 k =-0.1267 0.3005 1.0754 ( 4607 PWs) bands (ev): -19.8254 -19.8254 -19.8131 -19.8131 -17.0739 -17.0739 -17.0078 -17.0078 -16.5826 -16.5826 -16.5585 -16.5585 -4.7599 -4.7599 -4.6634 -4.6634 -4.0050 -4.0050 -3.8934 -3.8934 -3.8560 -3.8560 -3.6908 -3.6908 -0.8346 -0.8346 0.3215 0.3215 0.7741 0.7741 1.1154 1.1154 1.1606 1.1606 1.2097 1.2097 1.6442 1.6442 2.1171 2.1171 2.2432 2.2432 2.3367 2.3367 2.3824 2.3824 2.5292 2.5292 5.2783 5.2783 5.3889 5.3889 5.5322 5.5322 6.3990 6.3990 6.8398 6.8398 11.5985 11.5985 11.6850 11.6850 12.7699 12.7699 13.2799 13.2799 13.3147 13.3147 k =-0.1330 0.3155 1.0592 ( 4608 PWs) bands (ev): -19.8267 -19.8267 -19.8142 -19.8142 -17.0785 -17.0785 -17.0070 -17.0070 -16.5811 -16.5811 -16.5590 -16.5590 -4.7505 -4.7505 -4.6575 -4.6575 -3.9946 -3.9946 -3.8836 -3.8836 -3.8436 -3.8436 -3.6888 -3.6888 -0.8094 -0.8094 0.3294 0.3294 0.7819 0.7819 1.1184 1.1184 1.1482 1.1482 1.2036 1.2036 1.6559 1.6559 2.1027 2.1027 2.2351 2.2351 2.3172 2.3172 2.3689 2.3689 2.5268 2.5268 5.2669 5.2669 5.3854 5.3854 5.5238 5.5238 6.3650 6.3650 6.8224 6.8224 11.6181 11.6181 11.6775 11.6775 12.7690 12.7690 13.3035 13.3035 13.3472 13.3472 k =-0.1393 0.3305 1.0429 ( 4610 PWs) bands (ev): -19.8281 -19.8281 -19.8153 -19.8153 -17.0831 -17.0831 -17.0062 -17.0062 -16.5796 -16.5796 -16.5596 -16.5596 -4.7410 -4.7410 -4.6515 -4.6515 -3.9842 -3.9842 -3.8739 -3.8739 -3.8305 -3.8305 -3.6864 -3.6864 -0.7839 -0.7839 0.3377 0.3377 0.7896 0.7896 1.1132 1.1132 1.1438 1.1438 1.1982 1.1982 1.6673 1.6673 2.0878 2.0878 2.2270 2.2270 2.2971 2.2971 2.3552 2.3552 2.5247 2.5247 5.2553 5.2553 5.3819 5.3819 5.5155 5.5155 6.3275 6.3275 6.8071 6.8071 11.6347 11.6347 11.6710 11.6710 12.7673 12.7673 13.2987 13.2987 13.4148 13.4148 k =-0.1457 0.3455 1.0266 ( 4608 PWs) bands (ev): -19.8295 -19.8295 -19.8165 -19.8165 -17.0878 -17.0878 -17.0054 -17.0054 -16.5780 -16.5780 -16.5601 -16.5601 -4.7315 -4.7315 -4.6455 -4.6455 -3.9740 -3.9740 -3.8642 -3.8642 -3.8167 -3.8167 -3.6838 -3.6838 -0.7583 -0.7583 0.3464 0.3464 0.7971 0.7971 1.0991 1.0991 1.1487 1.1487 1.1933 1.1933 1.6783 1.6783 2.0726 2.0726 2.2189 2.2189 2.2764 2.2764 2.3415 2.3415 2.5228 2.5228 5.2434 5.2434 5.3783 5.3783 5.5073 5.5073 6.2869 6.2869 6.7939 6.7939 11.6464 11.6464 11.6670 11.6670 12.7650 12.7650 13.2985 13.2985 13.4847 13.4847 k =-0.1520 0.3606 1.0103 ( 4606 PWs) bands (ev): -19.8308 -19.8308 -19.8176 -19.8176 -17.0924 -17.0924 -17.0046 -17.0046 -16.5766 -16.5766 -16.5606 -16.5606 -4.7221 -4.7221 -4.6395 -4.6395 -3.9641 -3.9641 -3.8547 -3.8547 -3.8023 -3.8023 -3.6808 -3.6808 -0.7327 -0.7327 0.3556 0.3556 0.8043 0.8043 1.0818 1.0818 1.1573 1.1573 1.1892 1.1892 1.6889 1.6889 2.0569 2.0569 2.2107 2.2107 2.2556 2.2556 2.3278 2.3278 2.5212 2.5212 5.2314 5.2314 5.3746 5.3746 5.4995 5.4995 6.2438 6.2438 6.7825 6.7825 11.6485 11.6485 11.6696 11.6696 12.7622 12.7622 13.3035 13.3035 13.5567 13.5567 k =-0.1583 0.3756 0.9940 ( 4610 PWs) bands (ev): -19.8322 -19.8322 -19.8187 -19.8187 -17.0969 -17.0969 -17.0039 -17.0039 -16.5751 -16.5751 -16.5612 -16.5612 -4.7128 -4.7128 -4.6337 -4.6337 -3.9543 -3.9543 -3.8456 -3.8456 -3.7873 -3.7873 -3.6775 -3.6775 -0.7074 -0.7074 0.3650 0.3650 0.8112 0.8112 1.0632 1.0632 1.1670 1.1670 1.1861 1.1861 1.6989 1.6989 2.0407 2.0407 2.2020 2.2020 2.2354 2.2354 2.3144 2.3144 2.5198 2.5198 5.2194 5.2194 5.3707 5.3707 5.4919 5.4919 6.1985 6.1985 6.7728 6.7728 11.6443 11.6443 11.6754 11.6754 12.7589 12.7589 13.3143 13.3143 13.6302 13.6302 k =-0.1646 0.3906 0.9777 ( 4608 PWs) bands (ev): -19.8336 -19.8336 -19.8198 -19.8198 -17.1013 -17.1013 -17.0031 -17.0031 -16.5738 -16.5738 -16.5617 -16.5617 -4.7037 -4.7037 -4.6280 -4.6280 -3.9448 -3.9448 -3.8369 -3.8369 -3.7720 -3.7720 -3.6739 -3.6739 -0.6825 -0.6825 0.3748 0.3748 0.8176 0.8176 1.0441 1.0441 1.1743 1.1743 1.1877 1.1877 1.7082 1.7082 2.0240 2.0240 2.1912 2.1912 2.2175 2.2175 2.3012 2.3012 2.5186 2.5186 5.2074 5.2074 5.3668 5.3668 5.4846 5.4846 6.1518 6.1518 6.7646 6.7646 11.6388 11.6388 11.6793 11.6793 12.7553 12.7553 13.3311 13.3311 13.7053 13.7053 k =-0.1710 0.4056 0.9614 ( 4602 PWs) bands (ev): -19.8350 -19.8350 -19.8209 -19.8209 -17.1056 -17.1056 -17.0024 -17.0024 -16.5724 -16.5724 -16.5623 -16.5623 -4.6947 -4.6947 -4.6224 -4.6224 -3.9355 -3.9355 -3.8287 -3.8287 -3.7563 -3.7563 -3.6700 -3.6700 -0.6581 -0.6581 0.3847 0.3847 0.8235 0.8235 1.0247 1.0247 1.1743 1.1743 1.1982 1.1982 1.7170 1.7170 2.0067 2.0067 2.1760 2.1760 2.2046 2.2046 2.2885 2.2885 2.5176 2.5176 5.1955 5.1955 5.3628 5.3628 5.4778 5.4778 6.1041 6.1041 6.7576 6.7576 11.6331 11.6331 11.6801 11.6801 12.7513 12.7513 13.3540 13.3540 13.7814 13.7814 k =-0.1773 0.4206 0.9451 ( 4602 PWs) bands (ev): -19.8363 -19.8363 -19.8219 -19.8219 -17.1098 -17.1098 -17.0016 -17.0016 -16.5712 -16.5712 -16.5628 -16.5628 -4.6861 -4.6861 -4.6171 -4.6171 -3.9266 -3.9266 -3.8210 -3.8210 -3.7406 -3.7406 -3.6658 -3.6658 -0.6345 -0.6345 0.3949 0.3949 0.8288 0.8288 1.0054 1.0054 1.1720 1.1720 1.2128 1.2128 1.7250 1.7250 1.9886 1.9886 2.1570 2.1570 2.1963 2.1963 2.2764 2.2764 2.5168 2.5168 5.1838 5.1838 5.3586 5.3586 5.4714 5.4714 6.0561 6.0561 6.7517 6.7517 11.6274 11.6274 11.6778 11.6778 12.7471 12.7471 13.3830 13.3830 13.8583 13.8583 k =-0.1836 0.4356 0.9288 ( 4602 PWs) bands (ev): -19.8376 -19.8376 -19.8230 -19.8230 -17.1138 -17.1138 -17.0009 -17.0009 -16.5700 -16.5700 -16.5633 -16.5633 -4.6777 -4.6777 -4.6121 -4.6121 -3.9180 -3.9180 -3.8138 -3.8138 -3.7251 -3.7251 -3.6612 -3.6612 -0.6117 -0.6117 0.4051 0.4051 0.8336 0.8336 0.9862 0.9862 1.1696 1.1696 1.2292 1.2292 1.7323 1.7323 1.9698 1.9698 2.1367 2.1367 2.1905 2.1905 2.2649 2.2649 2.5162 2.5162 5.1724 5.1724 5.3544 5.3544 5.4655 5.4655 6.0083 6.0083 6.7466 6.7466 11.6219 11.6219 11.6725 11.6725 12.7427 12.7427 13.4180 13.4180 13.9067 13.9067 k =-0.1900 0.4506 0.9125 ( 4598 PWs) bands (ev): -19.8388 -19.8388 -19.8239 -19.8239 -17.1177 -17.1177 -17.0003 -17.0003 -16.5688 -16.5688 -16.5638 -16.5638 -4.6696 -4.6696 -4.6073 -4.6073 -3.9098 -3.9098 -3.8072 -3.8072 -3.7100 -3.7100 -3.6563 -3.6563 -0.5900 -0.5900 0.4152 0.4152 0.8379 0.8379 0.9674 0.9674 1.1674 1.1674 1.2471 1.2471 1.7388 1.7388 1.9500 1.9500 2.1163 2.1163 2.1861 2.1861 2.2542 2.2542 2.5157 2.5157 5.1613 5.1613 5.3501 5.3501 5.4600 5.4600 5.9611 5.9611 6.7422 6.7422 11.6167 11.6167 11.6647 11.6647 12.7382 12.7382 13.4584 13.4584 13.8769 13.8769 k =-0.1963 0.4656 0.8963 ( 4596 PWs) bands (ev): -19.8400 -19.8400 -19.8248 -19.8248 -17.1213 -17.1213 -16.9997 -16.9997 -16.5678 -16.5678 -16.5642 -16.5642 -4.6619 -4.6619 -4.6028 -4.6028 -3.9019 -3.9019 -3.8011 -3.8011 -3.6956 -3.6956 -3.6509 -3.6509 -0.5695 -0.5695 0.4253 0.4253 0.8416 0.8416 0.9492 0.9492 1.1654 1.1654 1.2663 1.2663 1.7445 1.7445 1.9292 1.9292 2.0965 2.0965 2.1827 2.1827 2.2443 2.2443 2.5154 2.5154 5.1507 5.1507 5.3458 5.3458 5.4550 5.4550 5.9152 5.9152 6.7385 6.7385 11.6116 11.6116 11.6549 11.6549 12.7336 12.7336 13.5039 13.5039 13.8488 13.8488 k =-0.2026 0.4806 0.8800 ( 4600 PWs) bands (ev): -19.8411 -19.8411 -19.8257 -19.8257 -17.1247 -17.1247 -16.9991 -16.9991 -16.5668 -16.5668 -16.5647 -16.5647 -4.6547 -4.6547 -4.5987 -4.5987 -3.8945 -3.8945 -3.7955 -3.7955 -3.6823 -3.6823 -3.6450 -3.6450 -0.5502 -0.5502 0.4351 0.4351 0.8447 0.8447 0.9317 0.9317 1.1636 1.1636 1.2867 1.2867 1.7495 1.7495 1.9073 1.9073 2.0778 2.0778 2.1801 2.1801 2.2354 2.2354 2.5152 2.5152 5.1405 5.1405 5.3416 5.3416 5.4505 5.4505 5.8709 5.8709 6.7353 6.7353 11.6068 11.6068 11.6435 11.6435 12.7291 12.7291 13.5535 13.5535 13.8233 13.8233 k =-0.2089 0.4957 0.8637 ( 4602 PWs) bands (ev): -19.8422 -19.8422 -19.8265 -19.8265 -17.1279 -17.1279 -16.9985 -16.9985 -16.5659 -16.5659 -16.5651 -16.5651 -4.6479 -4.6479 -4.5949 -4.5949 -3.8876 -3.8876 -3.7905 -3.7905 -3.6705 -3.6705 -3.6383 -3.6383 -0.5324 -0.5324 0.4446 0.4446 0.8473 0.8473 0.9151 0.9151 1.1621 1.1621 1.3083 1.3083 1.7537 1.7537 1.8843 1.8843 2.0604 2.0604 2.1781 2.1781 2.2275 2.2275 2.5151 2.5151 5.1309 5.1309 5.3374 5.3374 5.4464 5.4464 5.8288 5.8288 6.7326 6.7326 11.6022 11.6022 11.6313 11.6313 12.7247 12.7247 13.6063 13.6063 13.8011 13.8011 k =-0.2153 0.5107 0.8474 ( 4610 PWs) bands (ev): -19.8431 -19.8431 -19.8273 -19.8273 -17.1308 -17.1308 -16.9980 -16.9980 -16.5655 -16.5655 -16.5650 -16.5650 -4.6416 -4.6416 -4.5915 -4.5915 -3.8811 -3.8811 -3.7861 -3.7861 -3.6607 -3.6607 -3.6307 -3.6307 -0.5160 -0.5160 0.4537 0.4537 0.8494 0.8494 0.8996 0.8996 1.1608 1.1608 1.3308 1.3308 1.7572 1.7572 1.8602 1.8602 2.0446 2.0446 2.1767 2.1767 2.2207 2.2207 2.5151 2.5151 5.1219 5.1219 5.3334 5.3334 5.4427 5.4427 5.7894 5.7894 6.7303 6.7303 11.5976 11.5976 11.6188 11.6188 12.7205 12.7205 13.6599 13.6599 13.7836 13.7836 k =-0.2216 0.5257 0.8311 ( 4604 PWs) bands (ev): -19.8440 -19.8440 -19.8280 -19.8280 -17.1335 -17.1335 -16.9975 -16.9975 -16.5659 -16.5659 -16.5643 -16.5643 -4.6358 -4.6358 -4.5884 -4.5884 -3.8752 -3.8752 -3.7821 -3.7821 -3.6528 -3.6528 -3.6222 -3.6222 -0.5011 -0.5011 0.4622 0.4622 0.8511 0.8511 0.8854 0.8854 1.1597 1.1597 1.3542 1.3542 1.7600 1.7600 1.8352 1.8352 2.0303 2.0303 2.1755 2.1755 2.2150 2.2150 2.5151 2.5151 5.1137 5.1137 5.3295 5.3295 5.4395 5.4395 5.7529 5.7529 6.7283 6.7283 11.5927 11.5927 11.6070 11.6070 12.7165 12.7165 13.7057 13.7057 13.7786 13.7786 k =-0.2279 0.5407 0.8148 ( 4598 PWs) bands (ev): -19.8448 -19.8448 -19.8286 -19.8286 -17.1359 -17.1359 -16.9971 -16.9971 -16.5662 -16.5662 -16.5636 -16.5636 -4.6306 -4.6306 -4.5857 -4.5857 -3.8699 -3.8699 -3.7787 -3.7787 -3.6467 -3.6467 -3.6135 -3.6135 -0.4879 -0.4879 0.4700 0.4700 0.8520 0.8520 0.8729 0.8729 1.1589 1.1589 1.3783 1.3783 1.7622 1.7622 1.8095 1.8095 2.0177 2.0177 2.1746 2.1746 2.2104 2.2104 2.5152 2.5152 5.1062 5.1062 5.3259 5.3259 5.4366 5.4366 5.7199 5.7199 6.7267 6.7267 11.5861 11.5861 11.5977 11.5977 12.7128 12.7128 13.7200 13.7200 13.8086 13.8086 k =-0.2342 0.5557 0.7985 ( 4598 PWs) bands (ev): -19.8455 -19.8455 -19.8291 -19.8291 -17.1379 -17.1379 -16.9968 -16.9968 -16.5665 -16.5665 -16.5631 -16.5631 -4.6261 -4.6261 -4.5834 -4.5834 -3.8652 -3.8652 -3.7758 -3.7758 -3.6418 -3.6418 -3.6050 -3.6050 -0.4763 -0.4763 0.4770 0.4770 0.8514 0.8514 0.8630 0.8630 1.1581 1.1581 1.4029 1.4029 1.7637 1.7637 1.7835 1.7835 2.0068 2.0068 2.1737 2.1737 2.2070 2.2070 2.5153 2.5153 5.0996 5.0996 5.3226 5.3226 5.4341 5.4341 5.6907 5.6907 6.7253 6.7253 11.5772 11.5772 11.5921 11.5921 12.7096 12.7096 13.7133 13.7133 13.8622 13.8622 k =-0.2406 0.5707 0.7822 ( 4602 PWs) bands (ev): -19.8461 -19.8461 -19.8296 -19.8296 -17.1397 -17.1397 -16.9965 -16.9965 -16.5667 -16.5667 -16.5626 -16.5626 -4.6221 -4.6221 -4.5815 -4.5815 -3.8611 -3.8611 -3.7733 -3.7733 -3.6380 -3.6380 -3.5973 -3.5973 -0.4665 -0.4665 0.4831 0.4831 0.8468 0.8468 0.8584 0.8584 1.1576 1.1576 1.4276 1.4276 1.7560 1.7560 1.7663 1.7663 1.9976 1.9976 2.1729 2.1729 2.2045 2.2045 2.5154 2.5154 5.0938 5.0938 5.3197 5.3197 5.4319 5.4319 5.6655 5.6655 6.7242 6.7242 11.5678 11.5678 11.5885 11.5885 12.7067 12.7067 13.7036 13.7036 13.9197 13.9197 k =-0.2469 0.5857 0.7659 ( 4602 PWs) bands (ev): -19.8466 -19.8466 -19.8299 -19.8299 -17.1412 -17.1412 -16.9962 -16.9962 -16.5669 -16.5669 -16.5622 -16.5622 -4.6188 -4.6188 -4.5799 -4.5799 -3.8578 -3.8578 -3.7713 -3.7713 -3.6349 -3.6349 -3.5906 -3.5906 -0.4584 -0.4584 0.4883 0.4883 0.8398 0.8398 0.8577 0.8577 1.1572 1.1572 1.4519 1.4519 1.7309 1.7309 1.7666 1.7666 1.9901 1.9901 2.1721 2.1721 2.2028 2.2028 2.5155 2.5155 5.0890 5.0890 5.3171 5.3171 5.4301 5.4301 5.6446 5.6446 6.7233 6.7233 11.5593 11.5593 11.5860 11.5860 12.7043 12.7043 13.6948 13.6948 13.9753 13.9753 k =-0.2532 0.6007 0.7497 ( 4606 PWs) bands (ev): -19.8470 -19.8470 -19.8302 -19.8302 -17.1424 -17.1424 -16.9960 -16.9960 -16.5671 -16.5671 -16.5619 -16.5619 -4.6162 -4.6162 -4.5787 -4.5787 -3.8551 -3.8551 -3.7698 -3.7698 -3.6326 -3.6326 -3.5853 -3.5853 -0.4521 -0.4521 0.4924 0.4924 0.8336 0.8336 0.8577 0.8577 1.1569 1.1569 1.4751 1.4751 1.7067 1.7067 1.7672 1.7672 1.9843 1.9843 2.1714 2.1714 2.2018 2.2018 2.5156 2.5156 5.0852 5.0852 5.3151 5.3151 5.4287 5.4287 5.6282 5.6282 6.7226 6.7226 11.5523 11.5523 11.5841 11.5841 12.7024 12.7024 13.6876 13.6876 14.0256 14.0256 k =-0.2596 0.6157 0.7334 ( 4605 PWs) bands (ev): -19.8473 -19.8473 -19.8305 -19.8305 -17.1432 -17.1432 -16.9958 -16.9958 -16.5672 -16.5672 -16.5616 -16.5616 -4.6144 -4.6144 -4.5779 -4.5779 -3.8532 -3.8532 -3.7687 -3.7687 -3.6309 -3.6309 -3.5814 -3.5814 -0.4476 -0.4476 0.4953 0.4953 0.8290 0.8290 0.8578 0.8578 1.1566 1.1566 1.4956 1.4956 1.6853 1.6853 1.7676 1.7676 1.9802 1.9802 2.1708 2.1708 2.2012 2.2012 2.5157 2.5157 5.0824 5.0824 5.3136 5.3136 5.4277 5.4277 5.6164 5.6164 6.7222 6.7222 11.5472 11.5472 11.5828 11.5828 12.7011 12.7011 13.6824 13.6824 14.0668 14.0668 k =-0.2659 0.6307 0.7171 ( 4603 PWs) bands (ev): -19.8474 -19.8474 -19.8306 -19.8306 -17.1437 -17.1437 -16.9958 -16.9958 -16.5672 -16.5672 -16.5615 -16.5615 -4.6132 -4.6132 -4.5774 -4.5774 -3.8521 -3.8521 -3.7681 -3.7681 -3.6300 -3.6300 -3.5790 -3.5790 -0.4449 -0.4449 0.4971 0.4971 0.8262 0.8262 0.8579 0.8579 1.1565 1.1565 1.5107 1.5107 1.6698 1.6698 1.7678 1.7678 1.9777 1.9777 2.1705 2.1705 2.2009 2.2009 2.5158 2.5158 5.0807 5.0807 5.3127 5.3127 5.4270 5.4270 5.6093 5.6093 6.7219 6.7219 11.5440 11.5440 11.5820 11.5820 12.7002 12.7002 13.6792 13.6792 14.0943 14.0943 k =-0.2722 0.6458 0.7008 ( 4603 PWs) bands (ev): -19.8475 -19.8475 -19.8306 -19.8306 -17.1438 -17.1438 -16.9957 -16.9957 -16.5672 -16.5672 -16.5615 -16.5615 -4.6129 -4.6129 -4.5772 -4.5772 -3.8517 -3.8517 -3.7679 -3.7679 -3.6296 -3.6296 -3.5782 -3.5782 -0.4440 -0.4440 0.4977 0.4977 0.8253 0.8253 0.8579 0.8579 1.1565 1.1565 1.5164 1.5164 1.6638 1.6638 1.7679 1.7679 1.9769 1.9769 2.1704 2.1704 2.2009 2.2009 2.5158 2.5158 5.0802 5.0802 5.3124 5.3124 5.4268 5.4268 5.6070 5.6070 6.7218 6.7218 11.5430 11.5430 11.5817 11.5817 12.7000 12.7000 13.6781 13.6781 14.1040 14.1040 k =-0.2722 0.6458 0.7008 ( 4603 PWs) bands (ev): -19.8475 -19.8475 -19.8306 -19.8306 -17.1438 -17.1438 -16.9957 -16.9957 -16.5672 -16.5672 -16.5615 -16.5615 -4.6129 -4.6129 -4.5772 -4.5772 -3.8517 -3.8517 -3.7679 -3.7679 -3.6296 -3.6296 -3.5782 -3.5782 -0.4440 -0.4440 0.4977 0.4977 0.8253 0.8253 0.8579 0.8579 1.1565 1.1565 1.5164 1.5164 1.6638 1.6638 1.7679 1.7679 1.9769 1.9769 2.1704 2.1704 2.2009 2.2009 2.5158 2.5158 5.0802 5.0802 5.3124 5.3124 5.4268 5.4268 5.6070 5.6070 6.7218 6.7218 11.5430 11.5430 11.5817 11.5817 12.7000 12.7000 13.6781 13.6781 14.1040 14.1040 k =-0.2657 0.6304 0.6841 ( 4607 PWs) bands (ev): -19.8485 -19.8485 -19.8285 -19.8285 -17.1407 -17.1407 -16.9982 -16.9982 -16.5685 -16.5685 -16.5615 -16.5615 -4.6189 -4.6189 -4.5729 -4.5729 -3.8586 -3.8586 -3.7621 -3.7621 -3.6237 -3.6237 -3.5802 -3.5802 -0.4516 -0.4516 0.4985 0.4985 0.8164 0.8164 0.8606 0.8606 1.1552 1.1552 1.5130 1.5130 1.6560 1.6560 1.7661 1.7661 1.9767 1.9767 2.1693 2.1693 2.2015 2.2015 2.5180 2.5180 5.0801 5.0801 5.3159 5.3159 5.4297 5.4297 5.6078 5.6078 6.7288 6.7288 11.5275 11.5275 11.6185 11.6185 12.6983 12.6983 13.7127 13.7127 14.1308 14.1308 k =-0.2592 0.6150 0.6674 ( 4605 PWs) bands (ev): -19.8498 -19.8498 -19.8265 -19.8265 -17.1383 -17.1383 -17.0001 -17.0001 -16.5695 -16.5695 -16.5615 -16.5615 -4.6246 -4.6246 -4.5686 -4.5686 -3.8651 -3.8651 -3.7566 -3.7566 -3.6182 -3.6182 -3.5820 -3.5820 -0.4570 -0.4570 0.4987 0.4987 0.8085 0.8085 0.8635 0.8635 1.1550 1.1550 1.5112 1.5112 1.6496 1.6496 1.7654 1.7654 1.9769 1.9769 2.1680 2.1680 2.2023 2.2023 2.5204 2.5204 5.0800 5.0800 5.3183 5.3183 5.4317 5.4317 5.6084 5.6084 6.7331 6.7331 11.5076 11.5076 11.6529 11.6529 12.6877 12.6877 13.7450 13.7450 14.1639 14.1639 k =-0.2528 0.5996 0.6507 ( 4617 PWs) bands (ev): -19.8513 -19.8513 -19.8247 -19.8247 -17.1367 -17.1367 -17.0012 -17.0012 -16.5705 -16.5705 -16.5613 -16.5613 -4.6302 -4.6302 -4.5643 -4.5643 -3.8711 -3.8711 -3.7512 -3.7512 -3.6131 -3.6131 -3.5837 -3.5837 -0.4602 -0.4602 0.4983 0.4983 0.8016 0.8016 0.8664 0.8664 1.1559 1.1559 1.5110 1.5110 1.6446 1.6446 1.7656 1.7656 1.9776 1.9776 2.1669 2.1669 2.2030 2.2030 2.5230 2.5230 5.0797 5.0797 5.3194 5.3194 5.4324 5.4324 5.6088 5.6088 6.7346 6.7346 11.4832 11.4832 11.6847 11.6847 12.6701 12.6701 13.7747 13.7747 14.2017 14.2017 k =-0.2463 0.5843 0.6340 ( 4619 PWs) bands (ev): -19.8530 -19.8530 -19.8231 -19.8231 -17.1359 -17.1359 -17.0015 -17.0015 -16.5712 -16.5712 -16.5610 -16.5610 -4.6355 -4.6355 -4.5601 -4.5601 -3.8766 -3.8766 -3.7461 -3.7461 -3.6088 -3.6088 -3.5850 -3.5850 -0.4610 -0.4610 0.4974 0.4974 0.7956 0.7956 0.8695 0.8695 1.1581 1.1581 1.5125 1.5125 1.6410 1.6410 1.7667 1.7667 1.9787 1.9787 2.1660 2.1660 2.2032 2.2032 2.5258 2.5258 5.0794 5.0794 5.3192 5.3192 5.4322 5.4322 5.6090 5.6090 6.7334 6.7334 11.4536 11.4536 11.7139 11.7139 12.6473 12.6473 13.8014 13.8014 14.2423 14.2423 k =-0.2398 0.5689 0.6174 ( 4619 PWs) bands (ev): -19.8549 -19.8549 -19.8215 -19.8215 -17.1360 -17.1360 -17.0010 -17.0010 -16.5718 -16.5718 -16.5607 -16.5607 -4.6404 -4.6404 -4.5559 -4.5559 -3.8817 -3.8817 -3.7413 -3.7413 -3.6054 -3.6054 -3.5856 -3.5856 -0.4595 -0.4595 0.4959 0.4959 0.7906 0.7906 0.8727 0.8727 1.1613 1.1613 1.5157 1.5157 1.6390 1.6390 1.7689 1.7689 1.9802 1.9802 2.1657 2.1657 2.2030 2.2030 2.5288 2.5288 5.0791 5.0791 5.3178 5.3178 5.4310 5.4310 5.6090 5.6090 6.7296 6.7296 11.4185 11.4185 11.7404 11.7404 12.6215 12.6215 13.8250 13.8250 14.2835 14.2835 k =-0.2333 0.5535 0.6007 ( 4615 PWs) bands (ev): -19.8571 -19.8571 -19.8202 -19.8202 -17.1369 -17.1369 -16.9996 -16.9996 -16.5723 -16.5723 -16.5602 -16.5602 -4.6451 -4.6451 -4.5518 -4.5518 -3.8862 -3.8862 -3.7369 -3.7369 -3.6033 -3.6033 -3.5852 -3.5852 -0.4557 -0.4557 0.4940 0.4940 0.7865 0.7865 0.8760 0.8760 1.1658 1.1658 1.5204 1.5204 1.6385 1.6385 1.7720 1.7720 1.9822 1.9822 2.1657 2.1657 2.2023 2.2023 2.5319 2.5319 5.0786 5.0786 5.3152 5.3152 5.4286 5.4286 5.6089 5.6089 6.7231 6.7231 11.3774 11.3774 11.7641 11.7641 12.5945 12.5945 13.8452 13.8452 14.2972 14.2972 k =-0.2268 0.5381 0.5840 ( 4605 PWs) bands (ev): -19.8594 -19.8594 -19.8190 -19.8190 -17.1387 -17.1387 -16.9975 -16.9975 -16.5726 -16.5726 -16.5596 -16.5596 -4.6495 -4.6495 -4.5477 -4.5477 -3.8903 -3.8903 -3.7328 -3.7328 -3.6027 -3.6027 -3.5836 -3.5836 -0.4496 -0.4496 0.4915 0.4915 0.7833 0.7833 0.8794 0.8794 1.1715 1.1715 1.5267 1.5267 1.6395 1.6395 1.7761 1.7761 1.9845 1.9845 2.1662 2.1662 2.2014 2.2014 2.5351 2.5351 5.0781 5.0781 5.3113 5.3113 5.4253 5.4253 5.6085 5.6085 6.7140 6.7140 11.3301 11.3301 11.7852 11.7852 12.5680 12.5680 13.8619 13.8619 14.2677 14.2677 k =-0.2204 0.5228 0.5673 ( 4603 PWs) bands (ev): -19.8620 -19.8620 -19.8179 -19.8179 -17.1411 -17.1411 -16.9948 -16.9948 -16.5727 -16.5727 -16.5589 -16.5589 -4.6535 -4.6535 -4.5437 -4.5437 -3.8939 -3.8939 -3.7292 -3.7292 -3.6030 -3.6030 -3.5812 -3.5812 -0.4413 -0.4413 0.4886 0.4886 0.7809 0.7809 0.8828 0.8828 1.1785 1.1785 1.5345 1.5345 1.6421 1.6421 1.7811 1.7811 1.9872 1.9872 2.1668 2.1668 2.2004 2.2004 2.5383 2.5383 5.0775 5.0775 5.3062 5.3062 5.4209 5.4209 5.6079 5.6079 6.7023 6.7023 11.2764 11.2764 11.8034 11.8034 12.5432 12.5432 13.8749 13.8749 14.2351 14.2351 k =-0.2139 0.5074 0.5506 ( 4601 PWs) bands (ev): -19.8648 -19.8648 -19.8171 -19.8171 -17.1442 -17.1442 -16.9914 -16.9914 -16.5727 -16.5727 -16.5581 -16.5581 -4.6573 -4.6573 -4.5397 -4.5397 -3.8971 -3.8971 -3.7261 -3.7261 -3.6039 -3.6039 -3.5785 -3.5785 -0.4307 -0.4307 0.4852 0.4852 0.7794 0.7794 0.8863 0.8863 1.1867 1.1867 1.5438 1.5438 1.6463 1.6463 1.7870 1.7870 1.9903 1.9903 2.1673 2.1673 2.1998 2.1998 2.5415 2.5415 5.0768 5.0768 5.2999 5.2999 5.4155 5.4155 5.6072 5.6072 6.6880 6.6880 11.2163 11.2163 11.8190 11.8190 12.5209 12.5209 13.8842 13.8842 14.1997 14.1997 k =-0.2074 0.4920 0.5339 ( 4607 PWs) bands (ev): -19.8677 -19.8677 -19.8163 -19.8163 -17.1479 -17.1479 -16.9876 -16.9876 -16.5726 -16.5726 -16.5573 -16.5573 -4.6607 -4.6607 -4.5358 -4.5358 -3.8998 -3.8998 -3.7235 -3.7235 -3.6050 -3.6050 -3.5758 -3.5758 -0.4180 -0.4180 0.4815 0.4815 0.7786 0.7786 0.8898 0.8898 1.1962 1.1962 1.5545 1.5545 1.6521 1.6521 1.7937 1.7937 1.9939 1.9939 2.1671 2.1671 2.1999 2.1999 2.5445 2.5445 5.0760 5.0760 5.2925 5.2925 5.4091 5.4091 5.6062 5.6062 6.6711 6.6711 11.1501 11.1501 11.8318 11.8318 12.5019 12.5019 13.8897 13.8897 14.1618 14.1618 k =-0.2009 0.4766 0.5172 ( 4605 PWs) bands (ev): -19.8708 -19.8708 -19.8158 -19.8158 -17.1520 -17.1520 -16.9833 -16.9833 -16.5723 -16.5723 -16.5563 -16.5563 -4.6638 -4.6638 -4.5319 -4.5319 -3.9021 -3.9021 -3.7214 -3.7214 -3.6061 -3.6061 -3.5732 -3.5732 -0.4032 -0.4032 0.4774 0.4774 0.7785 0.7785 0.8932 0.8932 1.2070 1.2070 1.5665 1.5665 1.6595 1.6595 1.8012 1.8012 1.9979 1.9979 2.1660 2.1660 2.2014 2.2014 2.5473 2.5473 5.0752 5.0752 5.2839 5.2839 5.4018 5.4018 5.6050 5.6050 6.6519 6.6519 11.0781 11.0781 11.8420 11.8420 12.4862 12.4862 13.8912 13.8912 14.1212 14.1212 k =-0.1944 0.4613 0.5006 ( 4613 PWs) bands (ev): -19.8740 -19.8740 -19.8153 -19.8153 -17.1565 -17.1565 -16.9788 -16.9788 -16.5719 -16.5719 -16.5552 -16.5552 -4.6666 -4.6666 -4.5281 -4.5281 -3.9039 -3.9039 -3.7198 -3.7198 -3.6071 -3.6071 -3.5708 -3.5708 -0.3864 -0.3864 0.4730 0.4730 0.7790 0.7790 0.8966 0.8966 1.2191 1.2191 1.5797 1.5797 1.6684 1.6684 1.8095 1.8095 2.0023 2.0023 2.1637 2.1637 2.2043 2.2043 2.5499 2.5499 5.0742 5.0742 5.2742 5.2742 5.3936 5.3936 5.6037 5.6037 6.6303 6.6303 11.0010 11.0010 11.8496 11.8496 12.4740 12.4740 13.8886 13.8886 14.0781 14.0781 k =-0.1880 0.4459 0.4839 ( 4603 PWs) bands (ev): -19.8774 -19.8774 -19.8150 -19.8150 -17.1613 -17.1613 -16.9740 -16.9740 -16.5713 -16.5713 -16.5540 -16.5540 -4.6691 -4.6691 -4.5243 -4.5243 -3.9054 -3.9054 -3.7188 -3.7188 -3.6079 -3.6079 -3.5687 -3.5687 -0.3676 -0.3676 0.4683 0.4683 0.7801 0.7801 0.8999 0.8999 1.2325 1.2325 1.5941 1.5941 1.6788 1.6788 1.8185 1.8185 2.0072 2.0072 2.1603 2.1603 2.2085 2.2085 2.5520 2.5520 5.0731 5.0731 5.2635 5.2635 5.3847 5.3847 5.6022 5.6022 6.6064 6.6064 10.9194 10.9194 11.8546 11.8546 12.4650 12.4650 13.8818 13.8818 14.0322 14.0322 k =-0.1815 0.4305 0.4672 ( 4605 PWs) bands (ev): -19.8809 -19.8809 -19.8149 -19.8149 -17.1663 -17.1663 -16.9691 -16.9691 -16.5707 -16.5707 -16.5527 -16.5527 -4.6713 -4.6713 -4.5206 -4.5206 -3.9064 -3.9064 -3.7182 -3.7182 -3.6085 -3.6085 -3.5669 -3.5669 -0.3469 -0.3469 0.4635 0.4635 0.7817 0.7817 0.9031 0.9031 1.2473 1.2473 1.6096 1.6096 1.6908 1.6908 1.8282 1.8282 2.0126 2.0126 2.1560 2.1560 2.2140 2.2140 2.5536 2.5536 5.0719 5.0719 5.2519 5.2519 5.3750 5.3750 5.6004 5.6004 6.5802 6.5802 10.8339 10.8339 11.8571 11.8571 12.4589 12.4589 13.8703 13.8703 13.9833 13.9833 k =-0.1750 0.4151 0.4505 ( 4613 PWs) bands (ev): -19.8846 -19.8846 -19.8149 -19.8149 -17.1715 -17.1715 -16.9641 -16.9641 -16.5699 -16.5699 -16.5514 -16.5514 -4.6732 -4.6732 -4.5170 -4.5170 -3.9072 -3.9072 -3.7180 -3.7180 -3.6090 -3.6090 -3.5653 -3.5653 -0.3245 -0.3245 0.4584 0.4584 0.7837 0.7837 0.9060 0.9060 1.2634 1.2634 1.6261 1.6261 1.7041 1.7041 1.8385 1.8385 2.0186 2.0186 2.1511 2.1511 2.2205 2.2205 2.5547 2.5547 5.0705 5.0705 5.2394 5.2394 5.3646 5.3646 5.5984 5.5984 6.5521 6.5521 10.7452 10.7452 11.8573 11.8573 12.4555 12.4555 13.8539 13.8539 13.9311 13.9311 k =-0.1685 0.3998 0.4338 ( 4607 PWs) bands (ev): -19.8883 -19.8883 -19.8150 -19.8150 -17.1768 -17.1768 -16.9590 -16.9590 -16.5690 -16.5690 -16.5499 -16.5499 -4.6748 -4.6748 -4.5135 -4.5135 -3.9076 -3.9076 -3.7183 -3.7183 -3.6093 -3.6093 -3.5641 -3.5641 -0.3004 -0.3004 0.4532 0.4532 0.7862 0.7862 0.9087 0.9087 1.2808 1.2808 1.6435 1.6435 1.7187 1.7187 1.8493 1.8493 2.0252 2.0252 2.1458 2.1458 2.2277 2.2277 2.5551 2.5551 5.0690 5.0690 5.2260 5.2260 5.3537 5.3537 5.5962 5.5962 6.5220 6.5220 10.6542 10.6542 11.8552 11.8552 12.4542 12.4542 13.8317 13.8317 13.8753 13.8753 k =-0.1620 0.3844 0.4171 ( 4603 PWs) bands (ev): -19.8920 -19.8920 -19.8152 -19.8152 -17.1822 -17.1822 -16.9539 -16.9539 -16.5680 -16.5680 -16.5484 -16.5484 -4.6762 -4.6762 -4.5100 -4.5100 -3.9077 -3.9077 -3.7188 -3.7188 -3.6095 -3.6095 -3.5631 -3.5631 -0.2747 -0.2747 0.4479 0.4479 0.7890 0.7890 0.9112 0.9112 1.2994 1.2994 1.6616 1.6616 1.7346 1.7346 1.8606 1.8606 2.0324 2.0324 2.1401 2.1401 2.2357 2.2357 2.5549 2.5549 5.0673 5.0673 5.2120 5.2120 5.3423 5.3423 5.5938 5.5938 6.4900 6.4900 10.5613 10.5613 11.8509 11.8509 12.4546 12.4546 13.8031 13.8031 13.8157 13.8157 k =-0.1555 0.3690 0.4004 ( 4603 PWs) bands (ev): -19.8959 -19.8959 -19.8155 -19.8155 -17.1876 -17.1876 -16.9489 -16.9489 -16.5670 -16.5670 -16.5468 -16.5468 -4.6774 -4.6774 -4.5066 -4.5066 -3.9076 -3.9076 -3.7196 -3.7196 -3.6097 -3.6097 -3.5624 -3.5624 -0.2477 -0.2477 0.4425 0.4425 0.7921 0.7921 0.9133 0.9133 1.3193 1.3193 1.6805 1.6805 1.7516 1.7516 1.8722 1.8722 2.0404 2.0404 2.1343 2.1343 2.2442 2.2442 2.5538 2.5538 5.0653 5.0653 5.1974 5.1974 5.3304 5.3304 5.5910 5.5910 6.4565 6.4565 10.4674 10.4674 11.8446 11.8446 12.4564 12.4564 13.7516 13.7516 13.7677 13.7677 k =-0.1491 0.3536 0.3838 ( 4593 PWs) bands (ev): -19.8997 -19.8997 -19.8159 -19.8159 -17.1930 -17.1930 -16.9439 -16.9439 -16.5658 -16.5658 -16.5451 -16.5451 -4.6782 -4.6782 -4.5033 -4.5033 -3.9073 -3.9073 -3.7206 -3.7206 -3.6097 -3.6097 -3.5620 -3.5620 -0.2193 -0.2193 0.4371 0.4371 0.7954 0.7954 0.9150 0.9150 1.3404 1.3404 1.6999 1.6999 1.7695 1.7695 1.8842 1.8842 2.0491 2.0491 2.1284 2.1284 2.2531 2.2531 2.5519 2.5519 5.0631 5.0631 5.1823 5.1823 5.3184 5.3184 5.5878 5.5878 6.4215 6.4215 10.3729 10.3729 11.8364 11.8364 12.4592 12.4592 13.6839 13.6839 13.7242 13.7242 k =-0.1426 0.3383 0.3671 ( 4593 PWs) bands (ev): -19.9036 -19.9036 -19.8165 -19.8165 -17.1984 -17.1984 -16.9391 -16.9391 -16.5646 -16.5646 -16.5433 -16.5433 -4.6789 -4.6789 -4.5001 -4.5001 -3.9067 -3.9067 -3.7217 -3.7217 -3.6098 -3.6098 -3.5619 -3.5619 -0.1898 -0.1898 0.4317 0.4317 0.7988 0.7988 0.9163 0.9163 1.3627 1.3627 1.7198 1.7198 1.7882 1.7882 1.8965 1.8965 2.0587 2.0587 2.1224 2.1224 2.2624 2.2624 2.5491 2.5491 5.0604 5.0604 5.1670 5.1670 5.3061 5.3061 5.5843 5.5843 6.3852 6.3852 10.2784 10.2784 11.8264 11.8264 12.4626 12.4626 13.6124 13.6124 13.6733 13.6733 k =-0.1361 0.3229 0.3504 ( 4595 PWs) bands (ev): -19.9075 -19.9075 -19.8170 -19.8170 -17.2037 -17.2037 -16.9344 -16.9344 -16.5633 -16.5633 -16.5416 -16.5416 -4.6794 -4.6794 -4.4971 -4.4971 -3.9061 -3.9061 -3.7227 -3.7227 -3.6099 -3.6099 -3.5619 -3.5619 -0.1593 -0.1593 0.4264 0.4264 0.8024 0.8024 0.9171 0.9171 1.3860 1.3860 1.7401 1.7401 1.8075 1.8075 1.9089 1.9089 2.0691 2.0691 2.1166 2.1166 2.2720 2.2720 2.5453 2.5453 5.0571 5.0571 5.1516 5.1516 5.2938 5.2938 5.5802 5.5802 6.3480 6.3480 10.1845 10.1845 11.8148 11.8148 12.4662 12.4662 13.5377 13.5377 13.6156 13.6156 k =-0.1296 0.3075 0.3337 ( 4599 PWs) bands (ev): -19.9113 -19.9113 -19.8177 -19.8177 -17.2089 -17.2089 -16.9298 -16.9298 -16.5621 -16.5621 -16.5397 -16.5397 -4.6797 -4.6797 -4.4941 -4.4941 -3.9052 -3.9052 -3.7237 -3.7237 -3.6100 -3.6100 -3.5622 -3.5622 -0.1279 -0.1279 0.4211 0.4211 0.8061 0.8061 0.9174 0.9174 1.4104 1.4104 1.7606 1.7606 1.8270 1.8270 1.9214 1.9214 2.0802 2.0802 2.1114 2.1114 2.2819 2.2819 2.5404 2.5404 5.0531 5.0531 5.1364 5.1364 5.2815 5.2815 5.5757 5.5757 6.3100 6.3100 10.0916 10.0916 11.8018 11.8018 12.4698 12.4698 13.4609 13.4609 13.5525 13.5525 k =-0.1231 0.2921 0.3170 ( 4603 PWs) bands (ev): -19.9151 -19.9151 -19.8184 -19.8184 -17.2140 -17.2140 -16.9254 -16.9254 -16.5607 -16.5607 -16.5379 -16.5379 -4.6798 -4.6798 -4.4913 -4.4913 -3.9043 -3.9043 -3.7246 -3.7246 -3.6102 -3.6102 -3.5627 -3.5627 -0.0959 -0.0959 0.4159 0.4159 0.8098 0.8098 0.9171 0.9171 1.4357 1.4357 1.7813 1.7813 1.8466 1.8466 1.9339 1.9339 2.0906 2.0906 2.1081 2.1081 2.2918 2.2918 2.5346 2.5346 5.0480 5.0480 5.1219 5.1219 5.2693 5.2693 5.5705 5.5705 6.2715 6.2715 10.0003 10.0003 11.7875 11.7875 12.4732 12.4732 13.3828 13.3828 13.4859 13.4859 k =-0.1167 0.2768 0.3003 ( 4603 PWs) bands (ev): -19.9189 -19.9189 -19.8191 -19.8191 -17.2190 -17.2190 -16.9212 -16.9212 -16.5594 -16.5594 -16.5360 -16.5360 -4.6798 -4.6798 -4.4886 -4.4886 -3.9034 -3.9034 -3.7254 -3.7254 -3.6105 -3.6105 -3.5634 -3.5634 -0.0634 -0.0634 0.4108 0.4108 0.8135 0.8135 0.9163 0.9163 1.4619 1.4619 1.8019 1.8019 1.8660 1.8660 1.9463 1.9463 2.0937 2.0937 2.1137 2.1137 2.3018 2.3018 2.5276 2.5276 5.0414 5.0414 5.1087 5.1087 5.2574 5.2574 5.5646 5.5646 6.2330 6.2330 9.9109 9.9109 11.7721 11.7721 12.4760 12.4760 13.3045 13.3045 13.4172 13.4172 k =-0.1102 0.2614 0.2837 ( 4603 PWs) bands (ev): -19.9225 -19.9225 -19.8199 -19.8199 -17.2238 -17.2238 -16.9172 -16.9172 -16.5580 -16.5580 -16.5341 -16.5341 -4.6796 -4.6796 -4.4860 -4.4860 -3.9024 -3.9024 -3.7259 -3.7259 -3.6109 -3.6109 -3.5642 -3.5642 -0.0306 -0.0306 0.4058 0.4058 0.8172 0.8172 0.9148 0.9148 1.4888 1.4888 1.8224 1.8224 1.8849 1.8849 1.9586 1.9586 2.0903 2.0903 2.1274 2.1274 2.3119 2.3119 2.5195 2.5195 5.0329 5.0329 5.0971 5.0971 5.2458 5.2458 5.5579 5.5579 6.1946 6.1946 9.8238 9.8238 11.7559 11.7559 12.4782 12.4782 13.2269 13.2269 13.3480 13.3480 k =-0.1037 0.2460 0.2670 ( 4603 PWs) bands (ev): -19.9261 -19.9261 -19.8207 -19.8207 -17.2284 -17.2284 -16.9134 -16.9134 -16.5567 -16.5567 -16.5323 -16.5323 -4.6794 -4.6794 -4.4836 -4.4836 -3.9014 -3.9014 -3.7262 -3.7262 -3.6114 -3.6114 -3.5652 -3.5652 0.0024 0.0024 0.4011 0.4011 0.8209 0.8209 0.9128 0.9128 1.5163 1.5163 1.8426 1.8426 1.9030 1.9030 1.9706 1.9706 2.0857 2.0857 2.1440 2.1440 2.3218 2.3218 2.5104 2.5104 5.0223 5.0223 5.0876 5.0876 5.2346 5.2346 5.5503 5.5503 6.1569 6.1569 9.7396 9.7396 11.7389 11.7389 12.4796 12.4796 13.1510 13.1510 13.2796 13.2796 k =-0.0972 0.2306 0.2503 ( 4611 PWs) bands (ev): -19.9295 -19.9295 -19.8216 -19.8216 -17.2329 -17.2329 -16.9098 -16.9098 -16.5554 -16.5554 -16.5304 -16.5304 -4.6790 -4.6790 -4.4813 -4.4813 -3.9005 -3.9005 -3.7263 -3.7263 -3.6120 -3.6120 -3.5663 -3.5663 0.0353 0.0353 0.3965 0.3965 0.8244 0.8244 0.9100 0.9100 1.5443 1.5443 1.8624 1.8624 1.9202 1.9202 1.9822 1.9822 2.0813 2.0813 2.1622 2.1622 2.3316 2.3316 2.5001 2.5001 5.0099 5.0099 5.0799 5.0799 5.2239 5.2239 5.5417 5.5417 6.1202 6.1202 9.6584 9.6584 11.7215 11.7215 12.4802 12.4802 13.0775 13.0775 13.2128 13.2128 k =-0.0907 0.2153 0.2336 ( 4607 PWs) bands (ev): -19.9328 -19.9328 -19.8224 -19.8224 -17.2371 -17.2371 -16.9064 -16.9064 -16.5541 -16.5541 -16.5286 -16.5286 -4.6786 -4.6786 -4.4792 -4.4792 -3.8996 -3.8996 -3.7260 -3.7260 -3.6127 -3.6127 -3.5675 -3.5675 0.0680 0.0680 0.3921 0.3921 0.8278 0.8278 0.9067 0.9067 1.5727 1.5727 1.8817 1.8817 1.9364 1.9364 1.9934 1.9934 2.0772 2.0772 2.1818 2.1818 2.3411 2.3411 2.4888 2.4888 4.9961 4.9961 5.0737 5.0737 5.2139 5.2139 5.5320 5.5320 6.0849 6.0849 9.5807 9.5807 11.7037 11.7037 12.4797 12.4797 13.0070 13.0070 13.1485 13.1485 k =-0.0843 0.1999 0.2169 ( 4607 PWs) bands (ev): -19.9360 -19.9360 -19.8232 -19.8232 -17.2411 -17.2411 -16.9032 -16.9032 -16.5528 -16.5528 -16.5268 -16.5268 -4.6781 -4.6781 -4.4773 -4.4773 -3.8987 -3.8987 -3.7255 -3.7255 -3.6135 -3.6135 -3.5688 -3.5688 0.1002 0.1002 0.3880 0.3880 0.8311 0.8311 0.9027 0.9027 1.6012 1.6012 1.9003 1.9003 1.9514 1.9514 2.0039 2.0039 2.0737 2.0737 2.2023 2.2023 2.3504 2.3504 2.4766 2.4766 4.9816 4.9816 5.0685 5.0685 5.2045 5.2045 5.5212 5.5212 6.0513 6.0513 9.5069 9.5069 11.6859 11.6859 12.4783 12.4783 12.9402 12.9402 13.0874 13.0874 k =-0.0778 0.1845 0.2002 ( 4609 PWs) bands (ev): -19.9390 -19.9390 -19.8240 -19.8240 -17.2449 -17.2449 -16.9003 -16.9003 -16.5516 -16.5516 -16.5251 -16.5251 -4.6775 -4.6775 -4.4755 -4.4755 -3.8980 -3.8980 -3.7248 -3.7248 -3.6144 -3.6144 -3.5702 -3.5702 0.1317 0.1317 0.3841 0.3841 0.8342 0.8342 0.8982 0.8982 1.6297 1.6297 1.9180 1.9180 1.9652 1.9652 2.0135 2.0135 2.0711 2.0711 2.2234 2.2234 2.3592 2.3592 2.4636 2.4636 4.9669 4.9669 5.0640 5.0640 5.1957 5.1957 5.5093 5.5093 6.0200 6.0200 9.4371 9.4371 11.6682 11.6682 12.4760 12.4760 12.8773 12.8773 13.0299 13.0299 k =-0.0713 0.1691 0.1835 ( 4611 PWs) bands (ev): -19.9418 -19.9418 -19.8248 -19.8248 -17.2484 -17.2484 -16.8976 -16.8976 -16.5504 -16.5504 -16.5235 -16.5235 -4.6770 -4.6770 -4.4738 -4.4738 -3.8973 -3.8973 -3.7239 -3.7239 -3.6153 -3.6153 -3.5716 -3.5716 0.1622 0.1622 0.3805 0.3805 0.8371 0.8371 0.8931 0.8931 1.6579 1.6579 1.9348 1.9348 1.9779 1.9779 2.0221 2.0221 2.0696 2.0696 2.2446 2.2446 2.3676 2.3676 2.4500 2.4500 4.9523 4.9523 5.0600 5.0600 5.1877 5.1877 5.4962 5.4962 5.9911 5.9911 9.3718 9.3718 11.6509 11.6509 12.4728 12.4728 12.8188 12.8188 12.9764 12.9764 k =-0.0648 0.1538 0.1669 ( 4607 PWs) bands (ev): -19.9444 -19.9444 -19.8255 -19.8255 -17.2517 -17.2517 -16.8952 -16.8952 -16.5494 -16.5494 -16.5220 -16.5220 -4.6764 -4.6764 -4.4723 -4.4723 -3.8967 -3.8967 -3.7227 -3.7227 -3.6162 -3.6162 -3.5730 -3.5730 0.1916 0.1916 0.3772 0.3772 0.8399 0.8399 0.8876 0.8876 1.6856 1.6856 1.9504 1.9504 1.9895 1.9895 2.0291 2.0291 2.0698 2.0698 2.2652 2.2652 2.3753 2.3753 2.4363 2.4363 4.9382 4.9382 5.0563 5.0563 5.1805 5.1805 5.4823 5.4823 5.9650 5.9650 9.3112 9.3112 11.6341 11.6341 12.4688 12.4688 12.7649 12.7649 12.9273 12.9273 k =-0.0583 0.1384 0.1502 ( 4595 PWs) bands (ev): -19.9468 -19.9468 -19.8262 -19.8262 -17.2546 -17.2546 -16.8930 -16.8930 -16.5483 -16.5483 -16.5205 -16.5205 -4.6759 -4.6759 -4.4710 -4.4710 -3.8962 -3.8962 -3.7214 -3.7214 -3.6172 -3.6172 -3.5744 -3.5744 0.2196 0.2196 0.3742 0.3742 0.8424 0.8424 0.8817 0.8817 1.7125 1.7125 1.9646 1.9646 2.0001 2.0001 2.0345 2.0345 2.0718 2.0718 2.2845 2.2845 2.3818 2.3818 2.4235 2.4235 4.9248 4.9248 5.0529 5.0529 5.1740 5.1740 5.4677 5.4677 5.9418 5.9418 9.2555 9.2555 11.6181 11.6181 12.4641 12.4641 12.7158 12.7158 12.8829 12.8829 k =-0.0518 0.1230 0.1335 ( 4603 PWs) bands (ev): -19.9490 -19.9490 -19.8268 -19.8268 -17.2573 -17.2573 -16.8910 -16.8910 -16.5474 -16.5474 -16.5192 -16.5192 -4.6753 -4.6753 -4.4698 -4.4698 -3.8958 -3.8958 -3.7201 -3.7201 -3.6182 -3.6182 -3.5757 -3.5757 0.2459 0.2459 0.3715 0.3715 0.8447 0.8447 0.8755 0.8755 1.7382 1.7382 1.9775 1.9775 2.0096 2.0096 2.0382 2.0382 2.0757 2.0757 2.3012 2.3012 2.3856 2.3856 2.4139 2.4139 4.9122 4.9122 5.0497 5.0497 5.1682 5.1682 5.4528 5.4528 5.9214 5.9214 9.2050 9.2050 11.6032 11.6032 12.4589 12.4589 12.6716 12.6716 12.8432 12.8432 k =-0.0454 0.1076 0.1168 ( 4607 PWs) bands (ev): -19.9510 -19.9510 -19.8274 -19.8274 -17.2597 -17.2597 -16.8892 -16.8892 -16.5466 -16.5466 -16.5180 -16.5180 -4.6748 -4.6748 -4.4687 -4.4687 -3.8954 -3.8954 -3.7186 -3.7186 -3.6191 -3.6191 -3.5770 -3.5770 0.2701 0.2701 0.3692 0.3692 0.8467 0.8467 0.8693 0.8693 1.7623 1.7623 1.9887 1.9887 2.0182 2.0182 2.0408 2.0408 2.0810 2.0810 2.3134 2.3134 2.3846 2.3846 2.4115 2.4115 4.9006 4.9006 5.0467 5.0467 5.1632 5.1632 5.4380 5.4380 5.9040 5.9040 9.1600 9.1600 11.5894 11.5894 12.4533 12.4533 12.6326 12.6326 12.8085 12.8085 k =-0.0389 0.0923 0.1001 ( 4605 PWs) bands (ev): -19.9527 -19.9527 -19.8279 -19.8279 -17.2618 -17.2618 -16.8877 -16.8877 -16.5459 -16.5459 -16.5169 -16.5169 -4.6743 -4.6743 -4.4678 -4.4678 -3.8951 -3.8951 -3.7172 -3.7172 -3.6200 -3.6200 -3.5782 -3.5782 0.2920 0.2920 0.3673 0.3673 0.8485 0.8485 0.8631 0.8631 1.7845 1.7845 1.9984 1.9984 2.0258 2.0258 2.0430 2.0430 2.0872 2.0872 2.3182 2.3182 2.3825 2.3825 2.4151 2.4151 4.8903 4.8903 5.0441 5.0441 5.1589 5.1589 5.4239 5.4239 5.8893 5.8893 9.1205 9.1205 11.5770 11.5770 12.4476 12.4476 12.5986 12.5986 12.7787 12.7787 k =-0.0324 0.0769 0.0834 ( 4603 PWs) bands (ev): -19.9541 -19.9541 -19.8284 -19.8284 -17.2636 -17.2636 -16.8864 -16.8864 -16.5452 -16.5452 -16.5160 -16.5160 -4.6739 -4.6739 -4.4671 -4.4671 -3.8949 -3.8949 -3.7159 -3.7159 -3.6208 -3.6208 -3.5793 -3.5793 0.3111 0.3111 0.3659 0.3659 0.8500 0.8500 0.8574 0.8574 1.8041 1.8041 2.0064 2.0064 2.0323 2.0323 2.0452 2.0452 2.0937 2.0937 2.3146 2.3146 2.3842 2.3842 2.4209 2.4209 4.8814 4.8814 5.0417 5.0417 5.1553 5.1553 5.4109 5.4109 5.8773 5.8773 9.0868 9.0868 11.5662 11.5662 12.4421 12.4421 12.5699 12.5699 12.7538 12.7538 k =-0.0259 0.0615 0.0667 ( 4609 PWs) bands (ev): -19.9553 -19.9553 -19.8287 -19.8287 -17.2651 -17.2651 -16.8854 -16.8854 -16.5447 -16.5447 -16.5153 -16.5153 -4.6736 -4.6736 -4.4665 -4.4665 -3.8947 -3.8947 -3.7148 -3.7148 -3.6215 -3.6215 -3.5802 -3.5802 0.3270 0.3270 0.3651 0.3651 0.8511 0.8511 0.8523 0.8523 1.8209 1.8209 2.0130 2.0130 2.0374 2.0374 2.0476 2.0476 2.1002 2.1002 2.3057 2.3057 2.3886 2.3886 2.4272 2.4272 4.8738 4.8738 5.0397 5.0397 5.1523 5.1523 5.3995 5.3995 5.8678 5.8678 9.0591 9.0591 11.5571 11.5571 12.4370 12.4370 12.5463 12.5463 12.7337 12.7337 k =-0.0194 0.0461 0.0501 ( 4601 PWs) bands (ev): -19.9563 -19.9563 -19.8290 -19.8290 -17.2662 -17.2662 -16.8846 -16.8846 -16.5443 -16.5443 -16.5147 -16.5147 -4.6733 -4.6733 -4.4660 -4.4660 -3.8946 -3.8946 -3.7138 -3.7138 -3.6220 -3.6220 -3.5809 -3.5809 0.3390 0.3390 0.3652 0.3652 0.8476 0.8476 0.8523 0.8523 1.8343 1.8343 2.0181 2.0181 2.0411 2.0411 2.0502 2.0502 2.1063 2.1063 2.2953 2.2953 2.3931 2.3931 2.4331 2.4331 4.8679 4.8679 5.0381 5.0381 5.1501 5.1501 5.3901 5.3901 5.8606 5.8606 9.0373 9.0373 11.5499 11.5499 12.4327 12.4327 12.5280 12.5280 12.7183 12.7183 k =-0.0130 0.0308 0.0334 ( 4597 PWs) bands (ev): -19.9570 -19.9570 -19.8292 -19.8292 -17.2671 -17.2671 -16.8840 -16.8840 -16.5440 -16.5440 -16.5142 -16.5142 -4.6731 -4.6731 -4.4657 -4.4657 -3.8945 -3.8945 -3.7131 -3.7131 -3.6224 -3.6224 -3.5814 -3.5814 0.3466 0.3466 0.3665 0.3665 0.8442 0.8442 0.8530 0.8530 1.8440 1.8440 2.0218 2.0218 2.0435 2.0435 2.0526 2.0526 2.1114 2.1114 2.2859 2.2859 2.3967 2.3967 2.4379 2.4379 4.8636 4.8636 5.0369 5.0369 5.1485 5.1485 5.3832 5.3832 5.8555 5.8555 9.0218 9.0218 11.5447 11.5447 12.4294 12.4294 12.5149 12.5149 12.7075 12.7075 k =-0.0065 0.0154 0.0167 ( 4601 PWs) bands (ev): -19.9574 -19.9574 -19.8294 -19.8294 -17.2676 -17.2676 -16.8836 -16.8836 -16.5438 -16.5438 -16.5140 -16.5140 -4.6730 -4.6730 -4.4655 -4.4655 -3.8945 -3.8945 -3.7126 -3.7126 -3.6227 -3.6227 -3.5818 -3.5818 0.3502 0.3502 0.3684 0.3684 0.8421 0.8421 0.8534 0.8534 1.8499 1.8499 2.0241 2.0241 2.0449 2.0449 2.0542 2.0542 2.1150 2.1150 2.2794 2.2794 2.3989 2.3989 2.4411 2.4411 4.8610 4.8610 5.0362 5.0362 5.1475 5.1475 5.3789 5.3789 5.8525 5.8525 9.0124 9.0124 11.5416 11.5416 12.4273 12.4273 12.5070 12.5070 12.7010 12.7010 k = 0.0000 0.0000 0.0000 ( 4605 PWs) bands (ev): -19.9575 -19.9575 -19.8294 -19.8294 -17.2677 -17.2677 -16.8835 -16.8835 -16.5437 -16.5437 -16.5139 -16.5139 -4.6729 -4.6729 -4.4654 -4.4654 -3.8945 -3.8945 -3.7125 -3.7125 -3.6228 -3.6228 -3.5819 -3.5819 0.3512 0.3512 0.3693 0.3693 0.8414 0.8414 0.8536 0.8536 1.8519 1.8519 2.0248 2.0248 2.0453 2.0453 2.0548 2.0548 2.1163 2.1163 2.2771 2.2771 2.3996 2.3996 2.4421 2.4421 4.8601 4.8601 5.0360 5.0360 5.1472 5.1472 5.3774 5.3774 5.8515 5.8515 9.0093 9.0093 11.5405 11.5405 12.4266 12.4266 12.5044 12.5044 12.6989 12.6989 k = 0.0000 0.0000 0.0000 ( 4605 PWs) bands (ev): -19.9575 -19.9575 -19.8294 -19.8294 -17.2677 -17.2677 -16.8835 -16.8835 -16.5437 -16.5437 -16.5139 -16.5139 -4.6729 -4.6729 -4.4654 -4.4654 -3.8945 -3.8945 -3.7125 -3.7125 -3.6228 -3.6228 -3.5819 -3.5819 0.3512 0.3512 0.3693 0.3693 0.8414 0.8414 0.8536 0.8536 1.8519 1.8519 2.0248 2.0248 2.0453 2.0453 2.0548 2.0548 2.1163 2.1163 2.2771 2.2771 2.3996 2.3996 2.4421 2.4421 4.8601 4.8601 5.0360 5.0360 5.1472 5.1472 5.3774 5.3774 5.8515 5.8515 9.0093 9.0093 11.5405 11.5405 12.4266 12.4266 12.5044 12.5044 12.6989 12.6989 k = 0.0217 0.0092-0.0000 ( 4609 PWs) bands (ev): -19.9574 -19.9574 -19.8296 -19.8296 -17.2678 -17.2678 -16.8835 -16.8835 -16.5437 -16.5437 -16.5138 -16.5138 -4.6731 -4.6731 -4.4652 -4.4652 -3.8947 -3.8947 -3.7132 -3.7132 -3.6220 -3.6220 -3.5818 -3.5818 0.3512 0.3512 0.3693 0.3693 0.8299 0.8299 0.8661 0.8661 1.8519 1.8519 2.0245 2.0245 2.0453 2.0453 2.0546 2.0546 2.1161 2.1161 2.2760 2.2760 2.3995 2.3995 2.4423 2.4423 4.8601 4.8601 5.0360 5.0360 5.1473 5.1473 5.3774 5.3774 5.8515 5.8515 9.0124 9.0124 11.5380 11.5380 12.3931 12.3931 12.5312 12.5312 12.7023 12.7023 k = 0.0435 0.0183-0.0000 ( 4609 PWs) bands (ev): -19.9570 -19.9570 -19.8300 -19.8300 -17.2680 -17.2680 -16.8835 -16.8835 -16.5435 -16.5435 -16.5138 -16.5138 -4.6736 -4.6736 -4.4646 -4.4646 -3.8953 -3.8953 -3.7153 -3.7153 -3.6198 -3.6198 -3.5814 -3.5814 0.3513 0.3513 0.3694 0.3694 0.8149 0.8149 0.8839 0.8839 1.8519 1.8519 2.0237 2.0237 2.0452 2.0452 2.0541 2.0541 2.1155 2.1155 2.2727 2.2727 2.3993 2.3993 2.4430 2.4430 4.8601 4.8601 5.0363 5.0363 5.1475 5.1475 5.3774 5.3774 5.8514 5.8514 9.0219 9.0219 11.5308 11.5308 12.3320 12.3320 12.5727 12.5727 12.7125 12.7125 k = 0.0652 0.0275-0.0000 ( 4625 PWs) bands (ev): -19.9563 -19.9563 -19.8307 -19.8307 -17.2684 -17.2684 -16.8836 -16.8836 -16.5433 -16.5433 -16.5136 -16.5136 -4.6745 -4.6745 -4.4636 -4.4636 -3.8963 -3.8963 -3.7186 -3.7186 -3.6164 -3.6164 -3.5807 -3.5807 0.3515 0.3515 0.3696 0.3696 0.8007 0.8007 0.9027 0.9027 1.8520 1.8520 2.0223 2.0223 2.0450 2.0450 2.0532 2.0532 2.1146 2.1146 2.2671 2.2671 2.3991 2.3991 2.4441 2.4441 4.8601 4.8601 5.0366 5.0366 5.1478 5.1478 5.3774 5.3774 5.8512 5.8512 9.0377 9.0377 11.5190 11.5190 12.2618 12.2618 12.6111 12.6111 12.7291 12.7291 k = 0.0870 0.0367-0.0000 ( 4625 PWs) bands (ev): -19.9553 -19.9553 -19.8317 -19.8317 -17.2688 -17.2688 -16.8836 -16.8836 -16.5429 -16.5429 -16.5134 -16.5134 -4.6756 -4.6756 -4.4623 -4.4623 -3.8978 -3.8978 -3.7227 -3.7227 -3.6120 -3.6120 -3.5799 -3.5799 0.3517 0.3517 0.3698 0.3698 0.7877 0.7877 0.9221 0.9221 1.8521 1.8521 2.0206 2.0206 2.0447 2.0447 2.0520 2.0520 2.1133 2.1133 2.2594 2.2594 2.3989 2.3989 2.4456 2.4456 4.8602 4.8602 5.0371 5.0371 5.1482 5.1482 5.3774 5.3774 5.8509 5.8509 9.0596 9.0596 11.5034 11.5034 12.1855 12.1855 12.6444 12.6444 12.7514 12.7514 k = 0.1087 0.0458-0.0000 ( 4633 PWs) bands (ev): -19.9541 -19.9541 -19.8329 -19.8329 -17.2694 -17.2694 -16.8836 -16.8836 -16.5424 -16.5424 -16.5132 -16.5132 -4.6770 -4.6770 -4.4607 -4.4607 -3.8995 -3.8995 -3.7275 -3.7275 -3.6069 -3.6069 -3.5788 -3.5788 0.3521 0.3521 0.3701 0.3701 0.7760 0.7760 0.9419 0.9419 1.8522 1.8522 2.0185 2.0185 2.0441 2.0441 2.0505 2.0505 2.1116 2.1116 2.2495 2.2495 2.3989 2.3989 2.4474 2.4474 4.8602 4.8602 5.0377 5.0377 5.1488 5.1488 5.3774 5.3774 5.8506 5.8506 9.0875 9.0875 11.4845 11.4845 12.1046 12.1046 12.6727 12.6727 12.7788 12.7788 k = 0.1304 0.0550-0.0000 ( 4641 PWs) bands (ev): -19.9526 -19.9526 -19.8344 -19.8344 -17.2701 -17.2701 -16.8836 -16.8836 -16.5419 -16.5419 -16.5129 -16.5129 -4.6786 -4.6786 -4.4587 -4.4587 -3.9016 -3.9016 -3.7327 -3.7327 -3.6014 -3.6014 -3.5776 -3.5776 0.3524 0.3524 0.3705 0.3705 0.7656 0.7656 0.9618 0.9618 1.8523 1.8523 2.0162 2.0162 2.0433 2.0433 2.0488 2.0488 2.1096 2.1096 2.2377 2.2377 2.3992 2.3992 2.4496 2.4496 4.8602 4.8602 5.0384 5.0384 5.1494 5.1494 5.3775 5.3775 5.8501 5.8501 9.1213 9.1213 11.4631 11.4631 12.0199 12.0199 12.6965 12.6965 12.8102 12.8102 k = 0.1522 0.0641-0.0000 ( 4625 PWs) bands (ev): -19.9509 -19.9509 -19.8362 -19.8362 -17.2709 -17.2709 -16.8836 -16.8836 -16.5412 -16.5412 -16.5125 -16.5125 -4.6804 -4.6804 -4.4566 -4.4566 -3.9039 -3.9039 -3.7381 -3.7381 -3.5956 -3.5956 -3.5761 -3.5761 0.3529 0.3529 0.3709 0.3709 0.7566 0.7566 0.9817 0.9817 1.8525 1.8525 2.0138 2.0138 2.0422 2.0422 2.0469 2.0469 2.1074 2.1074 2.2240 2.2240 2.3997 2.3997 2.4520 2.4520 4.8604 4.8604 5.0393 5.0393 5.1502 5.1502 5.3775 5.3775 5.8495 5.8495 9.1608 9.1608 11.4398 11.4398 11.9322 11.9322 12.7165 12.7165 12.8450 12.8450 k = 0.1739 0.0733-0.0000 ( 4617 PWs) bands (ev): -19.9489 -19.9489 -19.8382 -19.8382 -17.2718 -17.2718 -16.8836 -16.8836 -16.5405 -16.5405 -16.5122 -16.5122 -4.6824 -4.6824 -4.4542 -4.4542 -3.9065 -3.9065 -3.7436 -3.7436 -3.5897 -3.5897 -3.5746 -3.5746 0.3534 0.3534 0.3714 0.3714 0.7489 0.7489 1.0013 1.0013 1.8527 1.8527 2.0113 2.0113 2.0408 2.0408 2.0448 2.0448 2.1049 2.1049 2.2087 2.2087 2.4006 2.4006 2.4547 2.4547 4.8604 4.8604 5.0402 5.0402 5.1511 5.1511 5.3776 5.3776 5.8488 5.8488 9.2056 9.2056 11.4153 11.4153 11.8421 11.8421 12.7332 12.7332 12.8823 12.8823 k = 0.1957 0.0825-0.0000 ( 4617 PWs) bands (ev): -19.9467 -19.9467 -19.8405 -19.8405 -17.2728 -17.2728 -16.8836 -16.8836 -16.5398 -16.5398 -16.5117 -16.5117 -4.6844 -4.6844 -4.4518 -4.4518 -3.9092 -3.9092 -3.7491 -3.7491 -3.5838 -3.5838 -3.5730 -3.5730 0.3540 0.3540 0.3719 0.3719 0.7426 0.7426 1.0205 1.0205 1.8529 1.8529 2.0088 2.0088 2.0391 2.0391 2.0426 2.0426 2.1022 2.1022 2.1922 2.1922 2.4017 2.4017 2.4575 2.4575 4.8605 4.8605 5.0412 5.0412 5.1520 5.1520 5.3776 5.3776 5.8480 5.8480 9.2556 9.2556 11.3902 11.3902 11.7502 11.7502 12.7473 12.7473 12.9211 12.9211 k = 0.2174 0.0916-0.0000 ( 4625 PWs) bands (ev): -19.9443 -19.9443 -19.8429 -19.8429 -17.2738 -17.2738 -16.8836 -16.8836 -16.5390 -16.5390 -16.5113 -16.5113 -4.6865 -4.6865 -4.4492 -4.4492 -3.9121 -3.9121 -3.7544 -3.7544 -3.5780 -3.5780 -3.5714 -3.5714 0.3545 0.3545 0.3725 0.3725 0.7376 0.7376 1.0391 1.0391 1.8531 1.8531 2.0063 2.0063 2.0371 2.0371 2.0404 2.0404 2.0993 2.0993 2.1747 2.1747 2.4030 2.4030 2.4605 2.4605 4.8606 4.8606 5.0423 5.0423 5.1529 5.1529 5.3777 5.3777 5.8470 5.8470 9.3104 9.3104 11.3651 11.3651 11.6569 11.6569 12.7590 12.7590 12.9609 12.9609 k = 0.2391 0.1008-0.0000 ( 4645 PWs) bands (ev): -19.9418 -19.9418 -19.8456 -19.8456 -17.2748 -17.2748 -16.8836 -16.8836 -16.5382 -16.5382 -16.5109 -16.5109 -4.6887 -4.6887 -4.4466 -4.4466 -3.9149 -3.9149 -3.7595 -3.7595 -3.5724 -3.5724 -3.5697 -3.5697 0.3551 0.3551 0.3730 0.3730 0.7338 0.7338 1.0569 1.0569 1.8533 1.8533 2.0040 2.0040 2.0349 2.0349 2.0382 2.0382 2.0963 2.0963 2.1566 2.1566 2.4045 2.4045 2.4634 2.4634 4.8606 4.8606 5.0433 5.0433 5.1538 5.1538 5.3777 5.3777 5.8459 5.8459 9.3697 9.3697 11.3404 11.3404 11.5627 11.5627 12.7689 12.7689 13.0008 13.0008 k = 0.2609 0.1100-0.0000 ( 4645 PWs) bands (ev): -19.9390 -19.9390 -19.8484 -19.8484 -17.2758 -17.2758 -16.8836 -16.8836 -16.5374 -16.5374 -16.5105 -16.5105 -4.6908 -4.6908 -4.4441 -4.4441 -3.9178 -3.9178 -3.7644 -3.7644 -3.5680 -3.5680 -3.5670 -3.5670 0.3557 0.3557 0.3736 0.3736 0.7312 0.7312 1.0736 1.0736 1.8535 1.8535 2.0018 2.0018 2.0326 2.0326 2.0360 2.0360 2.0933 2.0933 2.1384 2.1384 2.4062 2.4062 2.4664 2.4664 4.8607 4.8607 5.0443 5.0443 5.1548 5.1548 5.3778 5.3778 5.8447 5.8447 9.4332 9.4332 11.3165 11.3165 11.4678 11.4678 12.7773 12.7773 13.0402 13.0402 k = 0.2826 0.1191-0.0000 ( 4649 PWs) bands (ev): -19.9360 -19.9360 -19.8514 -19.8514 -17.2768 -17.2768 -16.8836 -16.8836 -16.5367 -16.5367 -16.5100 -16.5100 -4.6928 -4.6928 -4.4416 -4.4416 -3.9207 -3.9207 -3.7690 -3.7690 -3.5664 -3.5664 -3.5619 -3.5619 0.3563 0.3563 0.3741 0.3741 0.7296 0.7296 1.0892 1.0892 1.8537 1.8537 1.9998 1.9998 2.0301 2.0301 2.0339 2.0339 2.0903 2.0903 2.1204 2.1204 2.4079 2.4079 2.4694 2.4694 4.8608 4.8608 5.0454 5.0454 5.1558 5.1558 5.3778 5.3778 5.8434 5.8434 9.5004 9.5004 11.2937 11.2937 11.3727 11.3727 12.7843 12.7843 13.0785 13.0785 k = 0.3043 0.1283-0.0000 ( 4649 PWs) bands (ev): -19.9330 -19.9330 -19.8545 -19.8545 -17.2778 -17.2778 -16.8836 -16.8836 -16.5359 -16.5359 -16.5096 -16.5096 -4.6948 -4.6948 -4.4392 -4.4392 -3.9234 -3.9234 -3.7733 -3.7733 -3.5649 -3.5649 -3.5571 -3.5571 0.3569 0.3569 0.3747 0.3747 0.7290 0.7290 1.1035 1.1035 1.8539 1.8539 1.9980 1.9980 2.0275 2.0275 2.0319 2.0319 2.0873 2.0873 2.1030 2.1030 2.4097 2.4097 2.4722 2.4722 4.8608 4.8608 5.0464 5.0464 5.1567 5.1567 5.3779 5.3779 5.8420 5.8420 9.5710 9.5710 11.2723 11.2723 11.2775 11.2775 12.7901 12.7901 13.1151 13.1151 k = 0.3261 0.1375-0.0000 ( 4653 PWs) bands (ev): -19.9298 -19.9298 -19.8577 -19.8577 -17.2788 -17.2788 -16.8836 -16.8836 -16.5352 -16.5352 -16.5092 -16.5092 -4.6966 -4.6966 -4.4369 -4.4369 -3.9260 -3.9260 -3.7772 -3.7772 -3.5634 -3.5634 -3.5528 -3.5528 0.3574 0.3574 0.3752 0.3752 0.7290 0.7290 1.1163 1.1163 1.8541 1.8541 1.9964 1.9964 2.0249 2.0249 2.0300 2.0300 2.0845 2.0845 2.0864 2.0864 2.4114 2.4114 2.4748 2.4748 4.8609 4.8609 5.0474 5.0474 5.1576 5.1576 5.3779 5.3779 5.8406 5.8406 9.6444 9.6444 11.1827 11.1827 11.2527 11.2527 12.7950 12.7950 13.1494 13.1494 k = 0.3478 0.1466-0.0000 ( 4645 PWs) bands (ev): -19.9266 -19.9266 -19.8610 -19.8610 -17.2796 -17.2796 -16.8836 -16.8836 -16.5345 -16.5345 -16.5088 -16.5088 -4.6983 -4.6983 -4.4348 -4.4348 -3.9284 -3.9284 -3.7807 -3.7807 -3.5621 -3.5621 -3.5488 -3.5488 0.3580 0.3580 0.3757 0.3757 0.7297 0.7297 1.1277 1.1277 1.8543 1.8543 1.9951 1.9951 2.0223 2.0223 2.0284 2.0284 2.0711 2.0711 2.0818 2.0818 2.4130 2.4130 2.4773 2.4773 4.8610 4.8610 5.0483 5.0483 5.1584 5.1584 5.3780 5.3780 5.8393 5.8393 9.7201 9.7201 11.0887 11.0887 11.2349 11.2349 12.7990 12.7990 13.1810 13.1810 k = 0.3696 0.1558-0.0000 ( 4637 PWs) bands (ev): -19.9233 -19.9233 -19.8643 -19.8643 -17.2804 -17.2804 -16.8836 -16.8836 -16.5339 -16.5339 -16.5084 -16.5084 -4.6998 -4.6998 -4.4330 -4.4330 -3.9305 -3.9305 -3.7838 -3.7838 -3.5609 -3.5609 -3.5454 -3.5454 0.3585 0.3585 0.3761 0.3761 0.7308 0.7308 1.1375 1.1375 1.8545 1.8545 1.9940 1.9940 2.0198 2.0198 2.0269 2.0269 2.0573 2.0573 2.0793 2.0793 2.4145 2.4145 2.4795 2.4795 4.8610 4.8610 5.0492 5.0492 5.1592 5.1592 5.3780 5.3780 5.8381 5.8381 9.7975 9.7975 10.9959 10.9959 11.2191 11.2191 12.8022 12.8022 13.2093 13.2093 k = 0.3913 0.1650-0.0000 ( 4633 PWs) bands (ev): -19.9202 -19.9202 -19.8675 -19.8675 -17.2811 -17.2811 -16.8836 -16.8836 -16.5334 -16.5334 -16.5081 -16.5081 -4.7011 -4.7011 -4.4313 -4.4313 -3.9324 -3.9324 -3.7864 -3.7864 -3.5599 -3.5599 -3.5424 -3.5424 0.3589 0.3589 0.3765 0.3765 0.7321 0.7321 1.1457 1.1457 1.8546 1.8546 1.9932 1.9932 2.0175 2.0175 2.0256 2.0256 2.0453 2.0453 2.0772 2.0772 2.4158 2.4158 2.4814 2.4814 4.8611 4.8611 5.0499 5.0499 5.1599 5.1599 5.3780 5.3780 5.8370 5.8370 9.8755 9.8755 10.9051 10.9051 11.2056 11.2056 12.8048 12.8048 13.2340 13.2340 k = 0.4130 0.1741-0.0000 ( 4641 PWs) bands (ev): -19.9171 -19.9171 -19.8706 -19.8706 -17.2817 -17.2817 -16.8836 -16.8836 -16.5329 -16.5329 -16.5078 -16.5078 -4.7022 -4.7022 -4.4299 -4.4299 -3.9340 -3.9340 -3.7886 -3.7886 -3.5590 -3.5590 -3.5399 -3.5399 0.3593 0.3593 0.3768 0.3768 0.7335 0.7335 1.1524 1.1524 1.8547 1.8547 1.9926 1.9926 2.0154 2.0154 2.0246 2.0246 2.0351 2.0351 2.0753 2.0753 2.4170 2.4170 2.4830 2.4830 4.8611 4.8611 5.0505 5.0505 5.1604 5.1604 5.3780 5.3780 5.8359 5.8359 9.9528 9.9528 10.8176 10.8176 11.1944 11.1944 12.8068 12.8068 13.2548 13.2548 k = 0.4348 0.1833-0.0000 ( 4646 PWs) bands (ev): -19.9144 -19.9144 -19.8733 -19.8733 -17.2822 -17.2822 -16.8835 -16.8835 -16.5326 -16.5326 -16.5076 -16.5076 -4.7030 -4.7030 -4.4289 -4.4289 -3.9353 -3.9353 -3.7903 -3.7903 -3.5583 -3.5583 -3.5380 -3.5380 0.3596 0.3596 0.3771 0.3771 0.7347 0.7347 1.1575 1.1575 1.8548 1.8548 1.9921 1.9921 2.0137 2.0137 2.0237 2.0237 2.0272 2.0272 2.0738 2.0738 2.4179 2.4179 2.4843 2.4843 4.8612 4.8612 5.0510 5.0510 5.1609 5.1609 5.3781 5.3781 5.8350 5.8350 10.0269 10.0269 10.7357 10.7357 11.1855 11.1855 12.8083 12.8083 13.2712 13.2712 k = 0.4565 0.1924-0.0000 ( 4650 PWs) bands (ev): -19.9121 -19.9121 -19.8756 -19.8756 -17.2825 -17.2825 -16.8835 -16.8835 -16.5323 -16.5323 -16.5075 -16.5075 -4.7037 -4.7037 -4.4281 -4.4281 -3.9362 -3.9362 -3.7915 -3.7915 -3.5578 -3.5578 -3.5366 -3.5366 0.3598 0.3598 0.3773 0.3773 0.7357 0.7357 1.1611 1.1611 1.8549 1.8549 1.9918 1.9918 2.0125 2.0125 2.0213 2.0213 2.0232 2.0232 2.0727 2.0727 2.4186 2.4186 2.4853 2.4853 4.8612 4.8612 5.0513 5.0513 5.1612 5.1612 5.3781 5.3781 5.8344 5.8344 10.0933 10.0933 10.6639 10.6639 11.1792 11.1792 12.8094 12.8094 13.2831 13.2831 k = 0.4783 0.2016-0.0000 ( 4630 PWs) bands (ev): -19.9106 -19.9106 -19.8771 -19.8771 -17.2827 -17.2827 -16.8835 -16.8835 -16.5322 -16.5322 -16.5074 -16.5074 -4.7040 -4.7040 -4.4276 -4.4276 -3.9367 -3.9367 -3.7923 -3.7923 -3.5575 -3.5575 -3.5358 -3.5358 0.3599 0.3599 0.3774 0.3774 0.7363 0.7363 1.1633 1.1633 1.8550 1.8550 1.9916 1.9916 2.0118 2.0118 2.0178 2.0178 2.0228 2.0228 2.0721 2.0721 2.4190 2.4190 2.4859 2.4859 4.8612 4.8612 5.0516 5.0516 5.1615 5.1615 5.3782 5.3782 5.8340 5.8340 10.1430 10.1430 10.6109 10.6109 11.1754 11.1754 12.8100 12.8100 13.2904 13.2904 k = 0.5000 0.2108-0.0000 ( 4622 PWs) bands (ev): -19.9101 -19.9101 -19.8777 -19.8777 -17.2828 -17.2828 -16.8835 -16.8835 -16.5321 -16.5321 -16.5073 -16.5073 -4.7042 -4.7042 -4.4274 -4.4274 -3.9369 -3.9369 -3.7925 -3.7925 -3.5574 -3.5574 -3.5355 -3.5355 0.3599 0.3599 0.3774 0.3774 0.7366 0.7366 1.1640 1.1640 1.8550 1.8550 1.9915 1.9915 2.0115 2.0115 2.0166 2.0166 2.0227 2.0227 2.0718 2.0718 2.4191 2.4191 2.4861 2.4861 4.8612 4.8612 5.0517 5.0517 5.1616 5.1616 5.3782 5.3782 5.8339 5.8339 10.1624 10.1624 10.5904 10.5904 11.1741 11.1741 12.8102 12.8102 13.2928 13.2928 k = 0.5000 0.2108-0.0000 ( 4622 PWs) bands (ev): -19.9101 -19.9101 -19.8777 -19.8777 -17.2828 -17.2828 -16.8835 -16.8835 -16.5321 -16.5321 -16.5073 -16.5073 -4.7042 -4.7042 -4.4274 -4.4274 -3.9369 -3.9369 -3.7925 -3.7925 -3.5574 -3.5574 -3.5355 -3.5355 0.3599 0.3599 0.3774 0.3774 0.7366 0.7366 1.1640 1.1640 1.8550 1.8550 1.9915 1.9915 2.0115 2.0115 2.0166 2.0166 2.0227 2.0227 2.0718 2.0718 2.4191 2.4191 2.4861 2.4861 4.8612 4.8612 5.0517 5.0517 5.1616 5.1616 5.3782 5.3782 5.8339 5.8339 10.1624 10.1624 10.5904 10.5904 11.1741 11.1741 12.8102 12.8102 13.2928 13.2928 k = 0.4937 0.2258 0.0163 ( 4634 PWs) bands (ev): -19.9100 -19.9100 -19.8776 -19.8776 -17.2826 -17.2826 -16.8836 -16.8836 -16.5322 -16.5322 -16.5074 -16.5074 -4.7040 -4.7040 -4.4276 -4.4276 -3.9367 -3.9367 -3.7924 -3.7924 -3.5577 -3.5577 -3.5357 -3.5357 0.3591 0.3591 0.3767 0.3767 0.7371 0.7371 1.1637 1.1637 1.8523 1.8523 1.9877 1.9877 1.9995 1.9995 2.0220 2.0220 2.0276 2.0276 2.0781 2.0781 2.4182 2.4182 2.4851 2.4851 4.8621 4.8621 5.0519 5.0519 5.1618 5.1618 5.3795 5.3795 5.8349 5.8349 10.1643 10.1643 10.5928 10.5928 11.1759 11.1759 12.8114 12.8114 13.2947 13.2947 k = 0.4873 0.2408 0.0326 ( 4638 PWs) bands (ev): -19.9097 -19.9097 -19.8774 -19.8774 -17.2821 -17.2821 -16.8840 -16.8840 -16.5324 -16.5324 -16.5077 -16.5077 -4.7036 -4.7036 -4.4282 -4.4282 -3.9361 -3.9361 -3.7921 -3.7921 -3.5585 -3.5585 -3.5362 -3.5362 0.3561 0.3561 0.3751 0.3751 0.7388 0.7388 1.1628 1.1628 1.8439 1.8439 1.9744 1.9744 1.9937 1.9937 2.0201 2.0201 2.0334 2.0334 2.0956 2.0956 2.4154 2.4154 2.4822 2.4822 4.8645 4.8645 5.0525 5.0525 5.1627 5.1627 5.3836 5.3836 5.8380 5.8380 10.1698 10.1698 10.5999 10.5999 11.1815 11.1815 12.8150 12.8150 13.3005 13.3005 k = 0.4810 0.2558 0.0489 ( 4636 PWs) bands (ev): -19.9092 -19.9092 -19.8770 -19.8770 -17.2814 -17.2814 -16.8845 -16.8845 -16.5326 -16.5326 -16.5081 -16.5081 -4.7028 -4.7028 -4.4292 -4.4292 -3.9351 -3.9351 -3.7916 -3.7916 -3.5600 -3.5600 -3.5370 -3.5370 0.3498 0.3498 0.3740 0.3740 0.7414 0.7414 1.1614 1.1614 1.8293 1.8293 1.9618 1.9618 1.9898 1.9898 2.0171 2.0171 2.0342 2.0342 2.1190 2.1190 2.4106 2.4106 2.4776 2.4776 4.8687 4.8687 5.0535 5.0535 5.1641 5.1641 5.3901 5.3901 5.8433 5.8433 10.1790 10.1790 10.6116 10.6116 11.1907 11.1907 12.8209 12.8209 13.3101 13.3101 k = 0.4747 0.2708 0.0652 ( 4634 PWs) bands (ev): -19.9085 -19.9085 -19.8765 -19.8765 -17.2803 -17.2803 -16.8853 -16.8853 -16.5331 -16.5331 -16.5087 -16.5087 -4.7018 -4.7018 -4.4305 -4.4305 -3.9336 -3.9336 -3.7909 -3.7909 -3.5621 -3.5621 -3.5380 -3.5380 0.3396 0.3396 0.3739 0.3739 0.7449 0.7449 1.1594 1.1594 1.8088 1.8088 1.9535 1.9535 1.9850 1.9850 2.0131 2.0131 2.0323 2.0323 2.1447 2.1447 2.4037 2.4037 2.4717 2.4717 4.8744 4.8744 5.0550 5.0550 5.1662 5.1662 5.3990 5.3990 5.8509 5.8509 10.1918 10.1918 10.6280 10.6280 11.2035 11.2035 12.8291 12.8291 13.3234 13.3234 k = 0.4684 0.2858 0.0814 ( 4642 PWs) bands (ev): -19.9076 -19.9076 -19.8759 -19.8759 -17.2789 -17.2789 -16.8863 -16.8863 -16.5336 -16.5336 -16.5094 -16.5094 -4.7004 -4.7004 -4.4323 -4.4323 -3.9318 -3.9318 -3.7900 -3.7900 -3.5649 -3.5649 -3.5392 -3.5392 0.3259 0.3259 0.3748 0.3748 0.7491 0.7491 1.1568 1.1568 1.7835 1.7835 1.9494 1.9494 1.9788 1.9788 2.0084 2.0084 2.0290 2.0290 2.1710 2.1710 2.3945 2.3945 2.4647 2.4647 4.8815 4.8815 5.0567 5.0567 5.1688 5.1688 5.4098 5.4098 5.8608 5.8608 10.2082 10.2082 10.6489 10.6489 11.2200 11.2200 12.8395 12.8395 13.3405 13.3405 k = 0.4620 0.3008 0.0977 ( 4644 PWs) bands (ev): -19.9065 -19.9065 -19.8751 -19.8751 -17.2772 -17.2772 -16.8875 -16.8875 -16.5342 -16.5342 -16.5103 -16.5103 -4.6988 -4.6988 -4.4344 -4.4344 -3.9295 -3.9295 -3.7889 -3.7889 -3.5685 -3.5685 -3.5404 -3.5404 0.3092 0.3092 0.3764 0.3764 0.7538 0.7538 1.1537 1.1537 1.7550 1.7550 1.9485 1.9485 1.9710 1.9710 2.0030 2.0030 2.0245 2.0245 2.1969 2.1969 2.3829 2.3829 2.4570 2.4570 4.8901 4.8901 5.0588 5.0588 5.1721 5.1721 5.4221 5.4221 5.8733 5.8733 10.2280 10.2280 10.6741 10.6741 11.2399 11.2399 12.8519 12.8519 13.3613 13.3613 k = 0.4557 0.3158 0.1140 ( 4648 PWs) bands (ev): -19.9052 -19.9052 -19.8743 -19.8743 -17.2752 -17.2752 -16.8889 -16.8889 -16.5349 -16.5349 -16.5113 -16.5113 -4.6969 -4.6969 -4.4369 -4.4369 -3.9269 -3.9269 -3.7875 -3.7875 -3.5729 -3.5729 -3.5416 -3.5416 0.2900 0.2900 0.3785 0.3785 0.7588 0.7588 1.1499 1.1499 1.7244 1.7244 1.9497 1.9497 1.9617 1.9617 1.9973 1.9973 2.0191 2.0191 2.2222 2.2222 2.3690 2.3690 2.4488 2.4488 4.9000 4.9000 5.0611 5.0611 5.1759 5.1759 5.4355 5.4355 5.8885 5.8885 10.2513 10.2513 10.7035 10.7035 11.2633 11.2633 12.8661 12.8661 13.3858 13.3858 k = 0.4494 0.3309 0.1303 ( 4640 PWs) bands (ev): -19.9037 -19.9037 -19.8732 -19.8732 -17.2730 -17.2730 -16.8906 -16.8906 -16.5358 -16.5358 -16.5125 -16.5125 -4.6947 -4.6947 -4.4398 -4.4398 -3.9240 -3.9240 -3.7859 -3.7859 -3.5781 -3.5781 -3.5427 -3.5427 0.2685 0.2685 0.3810 0.3810 0.7640 0.7640 1.1456 1.1456 1.6926 1.6926 1.9498 1.9498 1.9533 1.9533 1.9914 1.9914 2.0129 2.0129 2.2465 2.2465 2.3531 2.3531 2.4404 2.4404 4.9111 4.9111 5.0637 5.0637 5.1804 5.1804 5.4494 5.4494 5.9066 5.9066 10.2778 10.2778 10.7368 10.7368 11.2900 11.2900 12.8820 12.8820 13.4137 13.4137 k = 0.4431 0.3459 0.1466 ( 4644 PWs) bands (ev): -19.9021 -19.9021 -19.8721 -19.8721 -17.2704 -17.2704 -16.8925 -16.8925 -16.5367 -16.5367 -16.5139 -16.5139 -4.6923 -4.6923 -4.4430 -4.4430 -3.9207 -3.9207 -3.7840 -3.7840 -3.5841 -3.5841 -3.5438 -3.5438 0.2450 0.2450 0.3839 0.3839 0.7693 0.7693 1.1406 1.1406 1.6602 1.6602 1.9378 1.9378 1.9563 1.9563 1.9855 1.9855 2.0058 2.0058 2.2691 2.2691 2.3358 2.3358 2.4318 2.4318 4.9233 4.9233 5.0664 5.0664 5.1856 5.1856 5.4635 5.4635 5.9276 5.9276 10.3074 10.3074 10.7739 10.7739 11.3200 11.3200 12.8993 12.8993 13.4451 13.4451 k = 0.4367 0.3609 0.1629 ( 4640 PWs) bands (ev): -19.9003 -19.9003 -19.8709 -19.8709 -17.2676 -17.2676 -16.8946 -16.8946 -16.5376 -16.5376 -16.5153 -16.5153 -4.6896 -4.6896 -4.4466 -4.4466 -3.9171 -3.9171 -3.7819 -3.7819 -3.5907 -3.5907 -3.5449 -3.5449 0.2197 0.2197 0.3871 0.3871 0.7746 0.7746 1.1351 1.1351 1.6275 1.6275 1.9239 1.9239 1.9597 1.9597 1.9805 1.9805 1.9981 1.9981 2.2876 2.2876 2.3198 2.3198 2.4230 2.4230 4.9363 4.9363 5.0694 5.0694 5.1914 5.1914 5.4773 5.4773 5.9517 5.9517 10.3401 10.3401 10.8145 10.8145 11.3532 11.3532 12.9177 12.9177 13.4799 13.4799 k = 0.4304 0.3759 0.1792 ( 4640 PWs) bands (ev): -19.8983 -19.8983 -19.8696 -19.8696 -17.2645 -17.2645 -16.8969 -16.8969 -16.5387 -16.5387 -16.5169 -16.5169 -4.6867 -4.6867 -4.4506 -4.4506 -3.9131 -3.9131 -3.7795 -3.7795 -3.5980 -3.5980 -3.5460 -3.5460 0.1929 0.1929 0.3907 0.3907 0.7798 0.7798 1.1289 1.1289 1.5949 1.5949 1.9087 1.9087 1.9603 1.9603 1.9789 1.9789 1.9898 1.9898 2.2860 2.2860 2.3213 2.3213 2.4141 2.4141 4.9501 4.9501 5.0725 5.0725 5.1979 5.1979 5.4905 5.4905 5.9787 5.9787 10.3757 10.3757 10.8581 10.8581 11.3894 11.3894 12.9370 12.9370 13.5177 13.5177 k = 0.4241 0.3909 0.1955 ( 4632 PWs) bands (ev): -19.8962 -19.8962 -19.8683 -19.8683 -17.2611 -17.2611 -16.8994 -16.8994 -16.5398 -16.5398 -16.5186 -16.5186 -4.6835 -4.6835 -4.4549 -4.4549 -3.9090 -3.9090 -3.7769 -3.7769 -3.6059 -3.6059 -3.5470 -3.5470 0.1648 0.1648 0.3946 0.3946 0.7848 0.7848 1.1220 1.1220 1.5626 1.5626 1.8925 1.8925 1.9561 1.9561 1.9808 1.9808 1.9824 1.9824 2.2669 2.2669 2.3379 2.3379 2.4051 2.4051 4.9644 4.9644 5.0758 5.0758 5.2051 5.2051 5.5028 5.5028 6.0084 6.0084 10.4139 10.4139 10.9044 10.9044 11.4285 11.4285 12.9569 12.9569 13.5586 13.5586 k = 0.4177 0.4059 0.2118 ( 4630 PWs) bands (ev): -19.8940 -19.8940 -19.8668 -19.8668 -17.2575 -17.2575 -16.9021 -16.9021 -16.5410 -16.5410 -16.5204 -16.5204 -4.6802 -4.6802 -4.4596 -4.4596 -3.9045 -3.9045 -3.7740 -3.7740 -3.6143 -3.6143 -3.5480 -3.5480 0.1356 0.1356 0.3988 0.3988 0.7896 0.7896 1.1146 1.1146 1.5309 1.5309 1.8752 1.8752 1.9493 1.9493 1.9715 1.9715 1.9887 1.9887 2.2449 2.2449 2.3550 2.3550 2.3963 2.3963 4.9791 4.9791 5.0795 5.0795 5.2130 5.2130 5.5141 5.5141 6.0405 6.0405 10.4546 10.4546 10.9529 10.9529 11.4705 11.4705 12.9772 12.9772 13.6022 13.6022 k = 0.4114 0.4209 0.2281 ( 4624 PWs) bands (ev): -19.8916 -19.8916 -19.8653 -19.8653 -17.2537 -17.2537 -16.9050 -16.9050 -16.5422 -16.5422 -16.5223 -16.5223 -4.6766 -4.6766 -4.4645 -4.4645 -3.8998 -3.8998 -3.7708 -3.7708 -3.6231 -3.6231 -3.5490 -3.5490 0.1054 0.1054 0.4032 0.4032 0.7942 0.7942 1.1064 1.1064 1.4998 1.4998 1.8572 1.8572 1.9412 1.9412 1.9617 1.9617 1.9964 1.9964 2.2221 2.2221 2.3688 2.3688 2.3898 2.3898 4.9937 4.9937 5.0836 5.0836 5.2215 5.2215 5.5245 5.5245 6.0749 6.0749 10.4977 10.4977 11.0032 11.0032 11.5153 11.5153 12.9977 12.9977 13.6483 13.6483 k = 0.4051 0.4359 0.2443 ( 4632 PWs) bands (ev): -19.8891 -19.8891 -19.8638 -19.8638 -17.2496 -17.2496 -16.9081 -16.9081 -16.5434 -16.5434 -16.5243 -16.5243 -4.6729 -4.6729 -4.4698 -4.4698 -3.8949 -3.8949 -3.7673 -3.7673 -3.6323 -3.6323 -3.5500 -3.5500 0.0745 0.0745 0.4078 0.4078 0.7986 0.7986 1.0975 1.0975 1.4697 1.4697 1.8385 1.8385 1.9324 1.9324 1.9516 1.9516 2.0048 2.0048 2.1991 2.1991 2.3698 2.3698 2.3947 2.3947 5.0080 5.0080 5.0883 5.0883 5.2306 5.2306 5.5338 5.5338 6.1110 6.1110 10.5429 10.5429 11.0547 11.0547 11.5627 11.5627 13.0183 13.0183 13.6967 13.6967 k = 0.3988 0.4509 0.2606 ( 4632 PWs) bands (ev): -19.8865 -19.8865 -19.8622 -19.8622 -17.2453 -17.2453 -16.9115 -16.9115 -16.5446 -16.5446 -16.5264 -16.5264 -4.6690 -4.6690 -4.4754 -4.4754 -3.8898 -3.8898 -3.7636 -3.7636 -3.6417 -3.6417 -3.5510 -3.5510 0.0430 0.0430 0.4127 0.4127 0.8027 0.8027 1.0879 1.0879 1.4406 1.4406 1.8192 1.8192 1.9229 1.9229 1.9411 1.9411 2.0138 2.0138 2.1764 2.1764 2.3616 2.3616 2.4073 2.4073 5.0215 5.0215 5.0941 5.0941 5.2402 5.2402 5.5421 5.5421 6.1484 6.1484 10.5900 10.5900 11.1067 11.1067 11.6127 11.6127 13.0391 13.0391 13.7469 13.7469 k = 0.3924 0.4659 0.2769 ( 4636 PWs) bands (ev): -19.8838 -19.8838 -19.8606 -19.8606 -17.2408 -17.2408 -16.9150 -16.9150 -16.5459 -16.5459 -16.5286 -16.5286 -4.6649 -4.6649 -4.4813 -4.4813 -3.8846 -3.8846 -3.7597 -3.7597 -3.6513 -3.6513 -3.5520 -3.5520 0.0112 0.0112 0.4177 0.4177 0.8066 0.8066 1.0776 1.0776 1.4127 1.4127 1.7996 1.7996 1.9128 1.9128 1.9304 1.9304 2.0231 2.0231 2.1542 2.1542 2.3517 2.3517 2.4203 2.4203 5.0335 5.0335 5.1013 5.1013 5.2504 5.2504 5.5495 5.5495 6.1869 6.1869 10.6388 10.6388 11.1586 11.1586 11.6654 11.6654 13.0600 13.0600 13.7986 13.7986 k = 0.3861 0.4810 0.2932 ( 4630 PWs) bands (ev): -19.8810 -19.8810 -19.8591 -19.8591 -17.2361 -17.2361 -16.9187 -16.9187 -16.5471 -16.5471 -16.5308 -16.5308 -4.6608 -4.6608 -4.4874 -4.4874 -3.8792 -3.8792 -3.7558 -3.7558 -3.6610 -3.6610 -3.5530 -3.5530 -0.0207 -0.0207 0.4229 0.4229 0.8103 0.8103 1.0665 1.0665 1.3861 1.3861 1.7798 1.7798 1.9022 1.9022 1.9194 1.9194 2.0328 2.0328 2.1329 2.1329 2.3413 2.3413 2.4323 2.4323 5.0438 5.0438 5.1103 5.1103 5.2610 5.2610 5.5561 5.5561 6.2259 6.2259 10.6890 10.6890 11.2095 11.2095 11.7208 11.7208 13.0814 13.0814 13.8512 13.8512 k = 0.3798 0.4960 0.3095 ( 4630 PWs) bands (ev): -19.8781 -19.8781 -19.8575 -19.8575 -17.2312 -17.2312 -16.9226 -16.9226 -16.5484 -16.5484 -16.5331 -16.5331 -4.6565 -4.6565 -4.4937 -4.4937 -3.8737 -3.8737 -3.7518 -3.7518 -3.6705 -3.6705 -3.5540 -3.5540 -0.0527 -0.0527 0.4281 0.4281 0.8138 0.8138 1.0547 1.0547 1.3609 1.3609 1.7598 1.7598 1.8909 1.8909 1.9082 1.9082 2.0426 2.0426 2.1129 2.1129 2.3307 2.3307 2.4433 2.4433 5.0520 5.0520 5.1212 5.1212 5.2720 5.2720 5.5619 5.5619 6.2651 6.2651 10.7405 10.7405 11.2588 11.2588 11.7787 11.7787 13.1034 13.1034 13.9043 13.9043 k = 0.3735 0.5110 0.3258 ( 4626 PWs) bands (ev): -19.8752 -19.8752 -19.8560 -19.8560 -17.2262 -17.2262 -16.9266 -16.9266 -16.5496 -16.5496 -16.5353 -16.5353 -4.6521 -4.6521 -4.5003 -4.5003 -3.8680 -3.8680 -3.7481 -3.7481 -3.6796 -3.6796 -3.5550 -3.5550 -0.0844 -0.0844 0.4335 0.4335 0.8170 0.8170 1.0422 1.0422 1.3373 1.3373 1.7398 1.7398 1.8790 1.8790 1.8968 1.8968 2.0523 2.0523 2.0944 2.0944 2.3200 2.3200 2.4533 2.4533 5.0583 5.0583 5.1337 5.1337 5.2833 5.2833 5.5672 5.5672 6.3042 6.3042 10.7930 10.7930 11.3057 11.3057 11.8392 11.8392 13.1264 13.1264 13.9571 13.9571 k = 0.3671 0.5260 0.3421 ( 4622 PWs) bands (ev): -19.8722 -19.8722 -19.8545 -19.8545 -17.2210 -17.2210 -16.9308 -16.9308 -16.5508 -16.5508 -16.5377 -16.5377 -4.6476 -4.6476 -4.5070 -4.5070 -3.8622 -3.8622 -3.7452 -3.7452 -3.6877 -3.6877 -3.5560 -3.5560 -0.1158 -0.1158 0.4389 0.4389 0.8201 0.8201 1.0289 1.0289 1.3153 1.3153 1.7200 1.7200 1.8665 1.8665 1.8852 1.8852 2.0610 2.0610 2.0786 2.0786 2.3093 2.3093 2.4621 2.4621 5.0630 5.0630 5.1474 5.1474 5.2947 5.2947 5.5719 5.5719 6.3427 6.3427 10.8462 10.8462 11.3496 11.3496 11.9022 11.9022 13.1507 13.1507 14.0077 14.0077 k = 0.3608 0.5410 0.3584 ( 4618 PWs) bands (ev): -19.8692 -19.8692 -19.8531 -19.8531 -17.2157 -17.2157 -16.9351 -16.9351 -16.5520 -16.5520 -16.5400 -16.5400 -4.6430 -4.6430 -4.5139 -4.5139 -3.8564 -3.8564 -3.7437 -3.7437 -3.6942 -3.6942 -3.5571 -3.5571 -0.1466 -0.1466 0.4443 0.4443 0.8230 0.8230 1.0151 1.0151 1.2949 1.2949 1.7004 1.7004 1.8533 1.8533 1.8738 1.8738 2.0582 2.0582 2.0760 2.0760 2.2986 2.2986 2.4699 2.4699 5.0666 5.0666 5.1618 5.1618 5.3062 5.3062 5.5761 5.5761 6.3805 6.3805 10.8999 10.8999 11.3899 11.3899 11.9675 11.9675 13.1767 13.1767 14.0428 14.0428 k = 0.3545 0.5560 0.3747 ( 4610 PWs) bands (ev): -19.8662 -19.8662 -19.8518 -19.8518 -17.2103 -17.2103 -16.9396 -16.9396 -16.5531 -16.5531 -16.5423 -16.5423 -4.6384 -4.6384 -4.5210 -4.5210 -3.8505 -3.8505 -3.7447 -3.7447 -3.6979 -3.6979 -3.5582 -3.5582 -0.1768 -0.1768 0.4496 0.4496 0.8258 0.8258 1.0007 1.0007 1.2761 1.2761 1.6813 1.6813 1.8393 1.8393 1.8625 1.8625 2.0456 2.0456 2.0849 2.0849 2.2881 2.2881 2.4767 2.4767 5.0695 5.0695 5.1765 5.1765 5.3178 5.3178 5.5799 5.5799 6.4172 6.4172 10.9539 10.9539 11.4263 11.4263 12.0347 12.0347 13.2045 13.2045 14.0627 14.0627 k = 0.3481 0.5710 0.3909 ( 4622 PWs) bands (ev): -19.8632 -19.8632 -19.8505 -19.8505 -17.2048 -17.2048 -16.9442 -16.9442 -16.5542 -16.5542 -16.5446 -16.5446 -4.6337 -4.6337 -4.5281 -4.5281 -3.8446 -3.8446 -3.7486 -3.7486 -3.6984 -3.6984 -3.5593 -3.5593 -0.2061 -0.2061 0.4549 0.4549 0.8284 0.8284 0.9859 0.9859 1.2590 1.2590 1.6626 1.6626 1.8247 1.8247 1.8515 1.8515 2.0336 2.0336 2.0946 2.0946 2.2778 2.2778 2.4827 2.4827 5.0716 5.0716 5.1910 5.1910 5.3292 5.3292 5.5833 5.5833 6.4526 6.4526 11.0080 11.0080 11.4585 11.4585 12.1035 12.1035 13.2343 13.2343 14.0777 14.0777 k = 0.3418 0.5860 0.4072 ( 4627 PWs) bands (ev): -19.8601 -19.8601 -19.8494 -19.8494 -17.1992 -17.1992 -16.9488 -16.9488 -16.5552 -16.5552 -16.5469 -16.5469 -4.6291 -4.6291 -4.5353 -4.5353 -3.8386 -3.8386 -3.7550 -3.7550 -3.6960 -3.6960 -3.5605 -3.5605 -0.2343 -0.2343 0.4601 0.4601 0.8310 0.8310 0.9708 0.9708 1.2434 1.2434 1.6446 1.6446 1.8095 1.8095 1.8409 1.8409 2.0231 2.0231 2.1044 2.1044 2.2677 2.2677 2.4878 2.4878 5.0734 5.0734 5.2053 5.2053 5.3403 5.3403 5.5864 5.5864 6.4865 6.4865 11.0618 11.0618 11.4864 11.4864 12.1731 12.1731 13.2661 13.2661 14.0882 14.0882 k = 0.3355 0.6010 0.4235 ( 4619 PWs) bands (ev): -19.8571 -19.8571 -19.8484 -19.8484 -17.1936 -17.1936 -16.9535 -16.9535 -16.5562 -16.5562 -16.5491 -16.5491 -4.6244 -4.6244 -4.5426 -4.5426 -3.8326 -3.8326 -3.7628 -3.7628 -3.6919 -3.6919 -3.5618 -3.5618 -0.2615 -0.2615 0.4651 0.4651 0.8334 0.8334 0.9556 0.9556 1.2293 1.2293 1.6274 1.6274 1.7941 1.7941 1.8308 1.8308 2.0140 2.0140 2.1140 2.1140 2.2579 2.2579 2.4922 2.4922 5.0749 5.0749 5.2191 5.2191 5.3513 5.3513 5.5893 5.5893 6.5188 6.5188 11.1153 11.1153 11.5099 11.5099 12.2429 12.2429 13.2998 13.2998 14.0939 14.0939 k = 0.3292 0.6160 0.4398 ( 4613 PWs) bands (ev): -19.8541 -19.8541 -19.8475 -19.8475 -17.1880 -17.1880 -16.9583 -16.9583 -16.5571 -16.5571 -16.5513 -16.5513 -4.6197 -4.6197 -4.5498 -4.5498 -3.8268 -3.8268 -3.7713 -3.7713 -3.6867 -3.6867 -3.5631 -3.5631 -0.2873 -0.2873 0.4700 0.4700 0.8358 0.8358 0.9404 0.9404 1.2166 1.2166 1.6110 1.6110 1.7785 1.7785 1.8213 1.8213 2.0062 2.0062 2.1233 2.1233 2.2485 2.2485 2.4959 2.4959 5.0761 5.0761 5.2325 5.2325 5.3618 5.3618 5.5919 5.5919 6.5491 6.5491 11.1680 11.1680 11.5293 11.5293 12.3120 12.3120 13.3353 13.3353 14.0950 14.0950 k = 0.3228 0.6311 0.4561 ( 4613 PWs) bands (ev): -19.8512 -19.8512 -19.8468 -19.8468 -17.1824 -17.1824 -16.9630 -16.9630 -16.5579 -16.5579 -16.5535 -16.5535 -4.6150 -4.6150 -4.5571 -4.5571 -3.8212 -3.8212 -3.7799 -3.7799 -3.6808 -3.6808 -3.5645 -3.5645 -0.3117 -0.3117 0.4746 0.4746 0.8381 0.8381 0.9254 0.9254 1.2053 1.2053 1.5955 1.5955 1.7631 1.7631 1.8124 1.8124 1.9996 1.9996 2.1322 2.1322 2.2396 2.2396 2.4991 2.4991 5.0771 5.0771 5.2451 5.2451 5.3719 5.3719 5.5943 5.5943 6.5775 6.5775 11.2200 11.2200 11.5447 11.5447 12.3793 12.3793 13.3723 13.3723 14.0922 14.0922 k = 0.3165 0.6461 0.4724 ( 4601 PWs) bands (ev): -19.8483 -19.8483 -19.8462 -19.8462 -17.1768 -17.1768 -16.9677 -16.9677 -16.5586 -16.5586 -16.5555 -16.5555 -4.6104 -4.6104 -4.5642 -4.5642 -3.8164 -3.8164 -3.7877 -3.7877 -3.6746 -3.6746 -3.5659 -3.5659 -0.3346 -0.3346 0.4789 0.4789 0.8404 0.8404 0.9107 0.9107 1.1952 1.1952 1.5811 1.5811 1.7480 1.7480 1.8042 1.8042 1.9941 1.9941 2.1405 2.1405 2.2313 2.2313 2.5019 2.5019 5.0779 5.0779 5.2569 5.2569 5.3815 5.3815 5.5965 5.5965 6.6038 6.6038 11.2708 11.2708 11.5563 11.5563 12.4437 12.4437 13.4104 13.4104 14.0865 14.0865 k = 0.3102 0.6611 0.4887 ( 4605 PWs) bands (ev): -19.8458 -19.8458 -19.8455 -19.8455 -17.1714 -17.1714 -16.9724 -16.9724 -16.5593 -16.5593 -16.5575 -16.5575 -4.6059 -4.6059 -4.5712 -4.5712 -3.8137 -3.8137 -3.7933 -3.7933 -3.6681 -3.6681 -3.5674 -3.5674 -0.3558 -0.3558 0.4828 0.4828 0.8426 0.8426 0.8965 0.8965 1.1864 1.1864 1.5678 1.5678 1.7334 1.7334 1.7966 1.7966 1.9895 1.9895 2.1483 2.1483 2.2236 2.2236 2.5042 2.5042 5.0786 5.0786 5.2678 5.2678 5.3903 5.3903 5.5985 5.5985 6.6278 6.6278 11.3203 11.3203 11.5643 11.5643 12.5038 12.5038 13.4494 13.4494 14.0794 14.0794 k = 0.3038 0.6761 0.5050 ( 4597 PWs) bands (ev): -19.8456 -19.8456 -19.8428 -19.8428 -17.1661 -17.1661 -16.9769 -16.9769 -16.5599 -16.5599 -16.5594 -16.5594 -4.6016 -4.6016 -4.5779 -4.5779 -3.8160 -3.8160 -3.7937 -3.7937 -3.6615 -3.6615 -3.5691 -3.5691 -0.3753 -0.3753 0.4865 0.4865 0.8449 0.8449 0.8829 0.8829 1.1787 1.1787 1.5558 1.5558 1.7194 1.7194 1.7898 1.7898 1.9858 1.9858 2.1552 2.1552 2.2167 2.2167 2.5063 2.5063 5.0791 5.0791 5.2779 5.2779 5.3985 5.3985 5.6003 5.6003 6.6496 6.6496 11.3684 11.3684 11.5689 11.5689 12.5582 12.5582 13.4888 13.4888 14.0727 14.0727 k = 0.2975 0.6911 0.5213 ( 4597 PWs) bands (ev): -19.8456 -19.8456 -19.8401 -19.8401 -17.1610 -17.1610 -16.9813 -16.9813 -16.5612 -16.5612 -16.5604 -16.5604 -4.5979 -4.5979 -4.5840 -4.5840 -3.8222 -3.8222 -3.7900 -3.7900 -3.6549 -3.6549 -3.5708 -3.5708 -0.3930 -0.3930 0.4897 0.4897 0.8470 0.8470 0.8701 0.8701 1.1721 1.1721 1.5451 1.5451 1.7063 1.7063 1.7837 1.7837 1.9828 1.9828 2.1611 2.1611 2.2107 2.2107 2.5083 2.5083 5.0795 5.0795 5.2869 5.2869 5.4059 5.4059 5.6020 5.6020 6.6690 6.6690 11.4148 11.4148 11.5702 11.5702 12.6054 12.6054 13.5282 13.5282 14.0682 14.0682 k = 0.2912 0.7061 0.5376 ( 4601 PWs) bands (ev): -19.8457 -19.8457 -19.8376 -19.8376 -17.1561 -17.1561 -16.9854 -16.9854 -16.5629 -16.5629 -16.5608 -16.5608 -4.5971 -4.5971 -4.5871 -4.5871 -3.8296 -3.8296 -3.7849 -3.7849 -3.6484 -3.6484 -3.5725 -3.5725 -0.4087 -0.4087 0.4924 0.4924 0.8486 0.8486 0.8587 0.8587 1.1666 1.1666 1.5357 1.5357 1.6940 1.6940 1.7784 1.7784 1.9805 1.9805 2.1658 2.1658 2.2060 2.2060 2.5101 2.5101 5.0798 5.0798 5.2949 5.2949 5.4125 5.4125 5.6035 5.6035 6.6859 6.6859 11.4594 11.4594 11.5684 11.5684 12.6441 12.6441 13.5671 13.5671 14.0677 14.0677 k = 0.2849 0.7211 0.5538 ( 4601 PWs) bands (ev): -19.8461 -19.8461 -19.8351 -19.8351 -17.1516 -17.1516 -16.9893 -16.9893 -16.5645 -16.5645 -16.5611 -16.5611 -4.6012 -4.6012 -4.5851 -4.5851 -3.8372 -3.8372 -3.7793 -3.7793 -3.6420 -3.6420 -3.5744 -3.5744 -0.4225 -0.4225 0.4947 0.4947 0.8445 0.8445 0.8538 0.8538 1.1622 1.1622 1.5278 1.5278 1.6828 1.6828 1.7741 1.7741 1.9787 1.9787 2.1690 2.1690 2.2027 2.2027 2.5119 2.5119 5.0801 5.0801 5.3019 5.3019 5.4182 5.4182 5.6048 5.6048 6.7004 6.7004 11.5020 11.5020 11.5635 11.5635 12.6731 12.6731 13.6054 13.6054 14.0729 14.0729 k = 0.2785 0.7361 0.5701 ( 4607 PWs) bands (ev): -19.8467 -19.8467 -19.8328 -19.8328 -17.1475 -17.1475 -16.9927 -16.9927 -16.5659 -16.5659 -16.5613 -16.5613 -4.6069 -4.6069 -4.5813 -4.5813 -3.8446 -3.8446 -3.7736 -3.7736 -3.6357 -3.6357 -3.5763 -3.5763 -0.4343 -0.4343 0.4965 0.4965 0.8348 0.8348 0.8555 0.8555 1.1588 1.1588 1.5213 1.5213 1.6727 1.6727 1.7705 1.7705 1.9775 1.9775 2.1704 2.1704 2.2011 2.2011 2.5138 2.5138 5.0802 5.0802 5.3077 5.3077 5.4230 5.4230 5.6060 5.6060 6.7123 6.7123 11.5418 11.5418 11.5561 11.5561 12.6917 12.6917 13.6425 13.6425 14.0849 14.0849 k = 0.2722 0.7511 0.5864 ( 4603 PWs) bands (ev): -19.8475 -19.8475 -19.8306 -19.8306 -17.1438 -17.1438 -16.9957 -16.9957 -16.5672 -16.5672 -16.5615 -16.5615 -4.6129 -4.6129 -4.5772 -4.5772 -3.8517 -3.8517 -3.7679 -3.7679 -3.6296 -3.6296 -3.5782 -3.5782 -0.4440 -0.4440 0.4977 0.4977 0.8253 0.8253 0.8579 0.8579 1.1565 1.1565 1.5164 1.5164 1.6638 1.6638 1.7679 1.7679 1.9769 1.9769 2.1704 2.1704 2.2009 2.2009 2.5158 2.5158 5.0802 5.0802 5.3124 5.3124 5.4268 5.4268 5.6070 5.6070 6.7218 6.7218 11.5430 11.5430 11.5817 11.5817 12.7000 12.7000 13.6781 13.6781 14.1040 14.1040 k = 0.2722 0.7511 0.5864 ( 4603 PWs) bands (ev): -19.8475 -19.8475 -19.8306 -19.8306 -17.1438 -17.1438 -16.9957 -16.9957 -16.5672 -16.5672 -16.5615 -16.5615 -4.6129 -4.6129 -4.5772 -4.5772 -3.8517 -3.8517 -3.7679 -3.7679 -3.6296 -3.6296 -3.5782 -3.5782 -0.4440 -0.4440 0.4977 0.4977 0.8253 0.8253 0.8579 0.8579 1.1565 1.1565 1.5164 1.5164 1.6638 1.6638 1.7679 1.7679 1.9769 1.9769 2.1704 2.1704 2.2009 2.2009 2.5158 2.5158 5.0802 5.0802 5.3124 5.3124 5.4268 5.4268 5.6070 5.6070 6.7218 6.7218 11.5430 11.5430 11.5817 11.5817 12.7000 12.7000 13.6781 13.6781 14.1040 14.1040 k = 0.2495 0.7467 0.5912 ( 4602 PWs) bands (ev): -19.8478 -19.8478 -19.8299 -19.8299 -17.1429 -17.1429 -16.9965 -16.9965 -16.5676 -16.5676 -16.5615 -16.5615 -4.6148 -4.6148 -4.5758 -4.5758 -3.8538 -3.8538 -3.7662 -3.7662 -3.6277 -3.6277 -3.5788 -3.5788 -0.4464 -0.4464 0.4980 0.4980 0.8206 0.8206 0.8614 0.8614 1.1551 1.1551 1.5153 1.5153 1.6615 1.6615 1.7674 1.7674 1.9764 1.9764 2.1703 2.1703 2.2012 2.2012 2.5164 2.5164 5.0802 5.0802 5.3135 5.3135 5.4278 5.4278 5.6072 5.6072 6.7241 6.7241 11.5371 11.5371 11.5941 11.5941 12.7006 12.7006 13.6884 13.6884 14.1104 14.1104 k = 0.2268 0.7424 0.5959 ( 4604 PWs) bands (ev): -19.8483 -19.8483 -19.8292 -19.8292 -17.1419 -17.1419 -16.9973 -16.9973 -16.5680 -16.5680 -16.5615 -16.5615 -4.6171 -4.6171 -4.5740 -4.5740 -3.8559 -3.8559 -3.7648 -3.7648 -3.6254 -3.6254 -3.5796 -3.5796 -0.4486 -0.4486 0.4982 0.4982 0.8137 0.8137 0.8687 0.8687 1.1520 1.1520 1.5142 1.5142 1.6593 1.6593 1.7671 1.7671 1.9755 1.9755 2.1705 2.1705 2.2022 2.2022 2.5170 2.5170 5.0801 5.0801 5.3145 5.3145 5.4286 5.4286 5.6075 5.6075 6.7261 6.7261 11.5299 11.5299 11.6070 11.6070 12.7008 12.7008 13.6989 13.6989 14.1160 14.1160 k = 0.2042 0.7380 0.6007 ( 4610 PWs) bands (ev): -19.8488 -19.8488 -19.8284 -19.8284 -17.1410 -17.1410 -16.9980 -16.9980 -16.5684 -16.5684 -16.5615 -16.5615 -4.6195 -4.6195 -4.5722 -4.5722 -3.8580 -3.8580 -3.7635 -3.7635 -3.6227 -3.6227 -3.5804 -3.5804 -0.4507 -0.4507 0.4983 0.4983 0.8064 0.8064 0.8777 0.8777 1.1472 1.1472 1.5133 1.5133 1.6574 1.6574 1.7671 1.7671 1.9740 1.9740 2.1707 2.1707 2.2039 2.2039 2.5175 2.5175 5.0801 5.0801 5.3155 5.3155 5.4293 5.4293 5.6077 5.6077 6.7279 6.7279 11.5228 11.5228 11.6188 11.6188 12.7007 12.7007 13.7093 13.7093 14.1206 14.1206 k = 0.1815 0.7336 0.6055 ( 4606 PWs) bands (ev): -19.8494 -19.8494 -19.8275 -19.8275 -17.1401 -17.1401 -16.9987 -16.9987 -16.5688 -16.5688 -16.5615 -16.5615 -4.6218 -4.6218 -4.5704 -4.5704 -3.8600 -3.8600 -3.7624 -3.7624 -3.6198 -3.6198 -3.5814 -3.5814 -0.4525 -0.4525 0.4983 0.4983 0.7995 0.7995 0.8878 0.8878 1.1410 1.1410 1.5125 1.5125 1.6557 1.6557 1.7672 1.7672 1.9722 1.9722 2.1709 2.1709 2.2061 2.2061 2.5180 2.5180 5.0800 5.0800 5.3163 5.3163 5.4300 5.4300 5.6080 5.6080 6.7296 6.7296 11.5164 11.5164 11.6292 11.6292 12.7006 12.7006 13.7191 13.7191 14.1244 14.1244 k = 0.1588 0.7292 0.6102 ( 4610 PWs) bands (ev): -19.8499 -19.8499 -19.8268 -19.8268 -17.1392 -17.1392 -16.9993 -16.9993 -16.5692 -16.5692 -16.5615 -16.5615 -4.6241 -4.6241 -4.5687 -4.5687 -3.8618 -3.8618 -3.7615 -3.7615 -3.6167 -3.6167 -3.5826 -3.5826 -0.4542 -0.4542 0.4983 0.4983 0.7931 0.7931 0.8985 0.8985 1.1333 1.1333 1.5117 1.5117 1.6543 1.6543 1.7674 1.7674 1.9702 1.9702 2.1709 2.1709 2.2089 2.2089 2.5184 2.5184 5.0800 5.0800 5.3170 5.3170 5.4306 5.4306 5.6083 5.6083 6.7310 6.7310 11.5107 11.5107 11.6381 11.6381 12.7005 12.7005 13.7282 13.7282 14.1278 14.1278 k = 0.1361 0.7248 0.6150 ( 4610 PWs) bands (ev): -19.8504 -19.8504 -19.8261 -19.8261 -17.1385 -17.1385 -16.9999 -16.9999 -16.5695 -16.5695 -16.5615 -16.5615 -4.6261 -4.6261 -4.5671 -4.5671 -3.8634 -3.8634 -3.7609 -3.7609 -3.6136 -3.6136 -3.5839 -3.5839 -0.4556 -0.4556 0.4983 0.4983 0.7876 0.7876 0.9097 0.9097 1.1247 1.1247 1.5111 1.5111 1.6532 1.6532 1.7678 1.7678 1.9681 1.9681 2.1708 2.1708 2.2120 2.2120 2.5187 2.5187 5.0799 5.0799 5.3177 5.3177 5.4311 5.4311 5.6085 5.6085 6.7322 6.7322 11.5059 11.5059 11.6455 11.6455 12.7005 12.7005 13.7361 13.7361 14.1313 14.1313 k = 0.1134 0.7204 0.6198 ( 4613 PWs) bands (ev): -19.8509 -19.8509 -19.8255 -19.8255 -17.1378 -17.1378 -17.0004 -17.0004 -16.5698 -16.5698 -16.5615 -16.5615 -4.6279 -4.6279 -4.5657 -4.5657 -3.8647 -3.8647 -3.7604 -3.7604 -3.6104 -3.6104 -3.5853 -3.5853 -0.4568 -0.4568 0.4983 0.4983 0.7829 0.7829 0.9209 0.9209 1.1154 1.1154 1.5105 1.5105 1.6523 1.6523 1.7682 1.7682 1.9661 1.9661 2.1705 2.1705 2.2151 2.2151 2.5189 2.5189 5.0798 5.0798 5.3182 5.3182 5.4315 5.4315 5.6087 5.6087 6.7332 6.7332 11.5018 11.5018 11.6516 11.6516 12.7007 12.7007 13.7426 13.7426 14.1355 14.1355 k = 0.0907 0.7160 0.6245 ( 4608 PWs) bands (ev): -19.8513 -19.8513 -19.8250 -19.8250 -17.1372 -17.1372 -17.0008 -17.0008 -16.5700 -16.5700 -16.5615 -16.5615 -4.6294 -4.6294 -4.5646 -4.5646 -3.8658 -3.8658 -3.7601 -3.7601 -3.6072 -3.6072 -3.5870 -3.5870 -0.4578 -0.4578 0.4982 0.4982 0.7790 0.7790 0.9317 0.9317 1.1059 1.1059 1.5100 1.5100 1.6516 1.6516 1.7686 1.7686 1.9642 1.9642 2.1703 2.1703 2.2180 2.2180 2.5191 2.5191 5.0798 5.0798 5.3187 5.3187 5.4318 5.4318 5.6089 5.6089 6.7341 6.7341 11.4985 11.4985 11.6563 11.6563 12.7010 12.7010 13.7475 13.7475 14.1403 14.1403 k = 0.0681 0.7116 0.6293 ( 4608 PWs) bands (ev): -19.8516 -19.8516 -19.8245 -19.8245 -17.1368 -17.1368 -17.0011 -17.0011 -16.5702 -16.5702 -16.5615 -16.5615 -4.6306 -4.6306 -4.5637 -4.5637 -3.8667 -3.8667 -3.7599 -3.7599 -3.6041 -3.6041 -3.5888 -3.5888 -0.4586 -0.4586 0.4982 0.4982 0.7760 0.7760 0.9417 0.9417 1.0969 1.0969 1.5097 1.5097 1.6512 1.6512 1.7690 1.7690 1.9627 1.9627 2.1700 2.1700 2.2205 2.2205 2.5192 2.5192 5.0798 5.0798 5.3190 5.3190 5.4320 5.4320 5.6090 5.6090 6.7348 6.7348 11.4959 11.4959 11.6599 11.6599 12.7013 12.7013 13.7510 13.7510 14.1456 14.1456 k = 0.0454 0.7072 0.6341 ( 4605 PWs) bands (ev): -19.8518 -19.8518 -19.8242 -19.8242 -17.1364 -17.1364 -17.0013 -17.0013 -16.5704 -16.5704 -16.5615 -16.5615 -4.6315 -4.6315 -4.5630 -4.5630 -3.8674 -3.8674 -3.7598 -3.7598 -3.6012 -3.6012 -3.5907 -3.5907 -0.4591 -0.4591 0.4981 0.4981 0.7738 0.7738 0.9500 0.9500 1.0892 1.0892 1.5094 1.5094 1.6508 1.6508 1.7692 1.7692 1.9615 1.9615 2.1697 2.1697 2.2224 2.2224 2.5193 2.5193 5.0798 5.0798 5.3192 5.3192 5.4322 5.4322 5.6091 5.6091 6.7353 6.7353 11.4941 11.4941 11.6624 11.6624 12.7016 12.7016 13.7533 13.7533 14.1505 14.1505 k = 0.0227 0.7028 0.6388 ( 4606 PWs) bands (ev): -19.8519 -19.8519 -19.8241 -19.8241 -17.1362 -17.1362 -17.0015 -17.0015 -16.5704 -16.5704 -16.5615 -16.5615 -4.6320 -4.6320 -4.5626 -4.5626 -3.8677 -3.8677 -3.7597 -3.7597 -3.5986 -3.5986 -3.5928 -3.5928 -0.4595 -0.4595 0.4981 0.4981 0.7725 0.7725 0.9555 0.9555 1.0840 1.0840 1.5092 1.5092 1.6506 1.6506 1.7694 1.7694 1.9608 1.9608 2.1696 2.1696 2.2236 2.2236 2.5193 2.5193 5.0797 5.0797 5.3194 5.3194 5.4323 5.4323 5.6092 5.6092 6.7355 6.7355 11.4931 11.4931 11.6639 11.6639 12.7018 12.7018 13.7545 13.7545 14.1541 14.1541 k = 0.0000 0.6984 0.6436 ( 4606 PWs) bands (ev): -19.8520 -19.8520 -19.8240 -19.8240 -17.1362 -17.1362 -17.0015 -17.0015 -16.5705 -16.5705 -16.5615 -16.5615 -4.6322 -4.6322 -4.5625 -4.5625 -3.8679 -3.8679 -3.7597 -3.7597 -3.5971 -3.5971 -3.5941 -3.5941 -0.4596 -0.4596 0.4981 0.4981 0.7721 0.7721 0.9576 0.9576 1.0821 1.0821 1.5092 1.5092 1.6506 1.6506 1.7695 1.7695 1.9605 1.9605 2.1695 2.1695 2.2240 2.2240 2.5193 2.5193 5.0797 5.0797 5.3194 5.3194 5.4324 5.4324 5.6092 5.6092 6.7356 6.7356 11.4927 11.4927 11.6643 11.6643 12.7019 12.7019 13.7549 13.7549 14.1554 14.1554 k = 0.0000 0.6984 0.6436 ( 4606 PWs) bands (ev): -19.8520 -19.8520 -19.8240 -19.8240 -17.1362 -17.1362 -17.0015 -17.0015 -16.5705 -16.5705 -16.5615 -16.5615 -4.6322 -4.6322 -4.5625 -4.5625 -3.8679 -3.8679 -3.7597 -3.7597 -3.5971 -3.5971 -3.5941 -3.5941 -0.4596 -0.4596 0.4981 0.4981 0.7721 0.7721 0.9576 0.9576 1.0821 1.0821 1.5092 1.5092 1.6506 1.6506 1.7695 1.7695 1.9605 1.9605 2.1695 2.1695 2.2240 2.2240 2.5193 2.5193 5.0797 5.0797 5.3194 5.3194 5.4324 5.4324 5.6092 5.6092 6.7356 6.7356 11.4927 11.4927 11.6643 11.6643 12.7019 12.7019 13.7549 13.7549 14.1554 14.1554 k = 0.0064 0.6832 0.6601 ( 4606 PWs) bands (ev): -19.8519 -19.8519 -19.8240 -19.8240 -17.1360 -17.1360 -17.0016 -17.0016 -16.5704 -16.5704 -16.5615 -16.5615 -4.6326 -4.6326 -4.5626 -4.5626 -3.8683 -3.8683 -3.7599 -3.7599 -3.5988 -3.5988 -3.5935 -3.5935 -0.4605 -0.4605 0.4975 0.4975 0.7728 0.7728 0.9579 0.9579 1.0818 1.0818 1.5031 1.5031 1.6571 1.6571 1.7695 1.7695 1.9614 1.9614 2.1694 2.1694 2.2242 2.2242 2.5193 2.5193 5.0803 5.0803 5.3197 5.3197 5.4326 5.4326 5.6116 5.6116 6.7357 6.7357 11.4940 11.4940 11.6644 11.6644 12.7020 12.7020 13.7558 13.7558 14.1452 14.1452 k = 0.0128 0.6680 0.6766 ( 4604 PWs) bands (ev): -19.8517 -19.8517 -19.8239 -19.8239 -17.1355 -17.1355 -17.0017 -17.0017 -16.5704 -16.5704 -16.5617 -16.5617 -4.6337 -4.6337 -4.5632 -4.5632 -3.8696 -3.8696 -3.7605 -3.7605 -3.6027 -3.6027 -3.5932 -3.5932 -0.4633 -0.4633 0.4957 0.4957 0.7750 0.7750 0.9590 0.9590 1.0808 1.0808 1.4873 1.4873 1.6742 1.6742 1.7695 1.7695 1.9642 1.9642 2.1691 2.1691 2.2249 2.2249 2.5192 2.5192 5.0820 5.0820 5.3207 5.3207 5.4333 5.4333 5.6189 5.6189 6.7360 6.7360 11.4980 11.4980 11.6644 11.6644 12.7023 12.7023 13.7584 13.7584 14.1165 14.1165 k = 0.0192 0.6528 0.6931 ( 4606 PWs) bands (ev): -19.8514 -19.8514 -19.8237 -19.8237 -17.1346 -17.1346 -17.0018 -17.0018 -16.5702 -16.5702 -16.5619 -16.5619 -4.6356 -4.6356 -4.5642 -4.5642 -3.8717 -3.8717 -3.7615 -3.7615 -3.6079 -3.6079 -3.5938 -3.5938 -0.4679 -0.4679 0.4926 0.4926 0.7787 0.7787 0.9609 0.9609 1.0792 1.0792 1.4664 1.4664 1.6972 1.6972 1.7695 1.7695 1.9688 1.9688 2.1685 2.1685 2.2260 2.2260 2.5191 2.5191 5.0849 5.0849 5.3223 5.3223 5.4344 5.4344 5.6308 5.6308 6.7366 6.7366 11.5044 11.5044 11.6645 11.6645 12.7028 12.7028 13.7623 13.7623 14.0735 14.0735 k = 0.0256 0.6376 0.7096 ( 4606 PWs) bands (ev): -19.8510 -19.8510 -19.8234 -19.8234 -17.1334 -17.1334 -17.0020 -17.0020 -16.5700 -16.5700 -16.5622 -16.5622 -4.6382 -4.6382 -4.5655 -4.5655 -3.8746 -3.8746 -3.7630 -3.7630 -3.6143 -3.6143 -3.5953 -3.5953 -0.4743 -0.4743 0.4885 0.4885 0.7836 0.7836 0.9634 0.9634 1.0768 1.0768 1.4433 1.4433 1.7233 1.7233 1.7694 1.7694 1.9752 1.9752 2.1678 2.1678 2.2277 2.2277 2.5189 2.5189 5.0888 5.0888 5.3243 5.3243 5.4359 5.4359 5.6475 5.6475 6.7373 6.7373 11.5134 11.5134 11.6646 11.6646 12.7035 12.7035 13.7666 13.7666 14.0214 14.0214 k = 0.0321 0.6224 0.7261 ( 4610 PWs) bands (ev): -19.8505 -19.8505 -19.8231 -19.8231 -17.1319 -17.1319 -17.0022 -17.0022 -16.5698 -16.5698 -16.5626 -16.5626 -4.6414 -4.6414 -4.5673 -4.5673 -3.8783 -3.8783 -3.7649 -3.7649 -3.6221 -3.6221 -3.5976 -3.5976 -0.4826 -0.4826 0.4832 0.4832 0.7898 0.7898 0.9668 0.9668 1.0738 1.0738 1.4196 1.4196 1.7509 1.7509 1.7692 1.7692 1.9835 1.9835 2.1670 2.1670 2.2299 2.2299 2.5187 2.5187 5.0937 5.0937 5.3269 5.3269 5.4378 5.4378 5.6688 5.6688 6.7383 6.7383 11.5246 11.5246 11.6646 11.6646 12.7045 12.7045 13.7693 13.7693 13.9658 13.9658 k = 0.0385 0.6072 0.7426 ( 4616 PWs) bands (ev): -19.8498 -19.8498 -19.8226 -19.8226 -17.1301 -17.1301 -17.0026 -17.0026 -16.5695 -16.5695 -16.5632 -16.5632 -4.6454 -4.6454 -4.5694 -4.5694 -3.8827 -3.8827 -3.7674 -3.7674 -3.6310 -3.6310 -3.6007 -3.6007 -0.4926 -0.4926 0.4769 0.4769 0.7971 0.7971 0.9709 0.9709 1.0698 1.0698 1.3961 1.3961 1.7686 1.7686 1.7793 1.7793 1.9935 1.9935 2.1662 2.1662 2.2329 2.2329 2.5184 2.5184 5.0997 5.0997 5.3299 5.3299 5.4401 5.4401 5.6945 5.6945 6.7396 6.7396 11.5380 11.5380 11.6646 11.6646 12.7056 12.7056 13.7646 13.7646 13.9149 13.9149 k = 0.0449 0.5920 0.7591 ( 4618 PWs) bands (ev): -19.8490 -19.8490 -19.8222 -19.8222 -17.1280 -17.1280 -17.0029 -17.0029 -16.5692 -16.5692 -16.5638 -16.5638 -4.6500 -4.6500 -4.5720 -4.5720 -3.8879 -3.8879 -3.7704 -3.7704 -3.6410 -3.6410 -3.6044 -3.6044 -0.5043 -0.5043 0.4698 0.4698 0.8054 0.8054 0.9758 0.9758 1.0650 1.0650 1.3735 1.3735 1.7679 1.7679 1.8075 1.8075 2.0054 2.0054 2.1655 2.1655 2.2366 2.2366 2.5182 2.5182 5.1065 5.1065 5.3332 5.3332 5.4428 5.4428 5.7243 5.7243 6.7411 6.7411 11.5533 11.5533 11.6644 11.6644 12.7071 12.7071 13.7408 13.7408 13.8821 13.8821 k = 0.0513 0.5768 0.7756 ( 4612 PWs) bands (ev): -19.8482 -19.8482 -19.8216 -19.8216 -17.1255 -17.1255 -17.0033 -17.0033 -16.5688 -16.5688 -16.5644 -16.5644 -4.6552 -4.6552 -4.5749 -4.5749 -3.8937 -3.8937 -3.7740 -3.7740 -3.6519 -3.6519 -3.6087 -3.6087 -0.5178 -0.5178 0.4618 0.4618 0.8143 0.8143 0.9817 0.9817 1.0593 1.0593 1.3521 1.3521 1.7669 1.7669 1.8354 1.8354 2.0191 2.0191 2.1649 2.1649 2.2411 2.2411 2.5179 2.5179 5.1142 5.1142 5.3368 5.3368 5.4458 5.4458 5.7580 5.7580 6.7429 6.7429 11.5702 11.5702 11.6641 11.6641 12.7087 12.7087 13.6927 13.6927 13.8738 13.8738 k = 0.0577 0.5616 0.7921 ( 4612 PWs) bands (ev): -19.8472 -19.8472 -19.8210 -19.8210 -17.1228 -17.1228 -17.0038 -17.0038 -16.5684 -16.5684 -16.5652 -16.5652 -4.6610 -4.6610 -4.5783 -4.5783 -3.9000 -3.9000 -3.7783 -3.7783 -3.6637 -3.6637 -3.6135 -3.6135 -0.5329 -0.5329 0.4531 0.4531 0.8238 0.8238 0.9883 0.9883 1.0524 1.0524 1.3323 1.3323 1.7654 1.7654 1.8627 1.8627 2.0345 2.0345 2.1647 2.1647 2.2466 2.2466 2.5176 2.5176 5.1227 5.1227 5.3407 5.3407 5.4492 5.4492 5.7951 5.7951 6.7451 6.7451 11.5883 11.5883 11.6635 11.6635 12.7106 12.7106 13.6310 13.6310 13.8801 13.8801 k = 0.0641 0.5464 0.8086 ( 4612 PWs) bands (ev): -19.8461 -19.8461 -19.8203 -19.8203 -17.1198 -17.1198 -17.0043 -17.0043 -16.5680 -16.5680 -16.5661 -16.5661 -4.6673 -4.6673 -4.5820 -4.5820 -3.9069 -3.9069 -3.7835 -3.7835 -3.6761 -3.6761 -3.6187 -3.6187 -0.5496 -0.5496 0.4439 0.4439 0.8336 0.8336 0.9959 0.9959 1.0445 1.0445 1.3143 1.3143 1.7634 1.7634 1.8892 1.8892 2.0516 2.0516 2.1648 2.1648 2.2529 2.2529 2.5174 2.5174 5.1319 5.1319 5.3447 5.3447 5.4531 5.4531 5.8353 5.8353 6.7477 6.7477 11.6073 11.6073 11.6628 11.6628 12.7127 12.7127 13.5644 13.5644 13.8924 13.8924 k = 0.0705 0.5312 0.8251 ( 4612 PWs) bands (ev): -19.8450 -19.8450 -19.8196 -19.8196 -17.1165 -17.1165 -17.0048 -17.0048 -16.5675 -16.5675 -16.5670 -16.5670 -4.6742 -4.6742 -4.5862 -4.5862 -3.9143 -3.9143 -3.7895 -3.7895 -3.6889 -3.6889 -3.6242 -3.6242 -0.5677 -0.5677 0.4341 0.4341 0.8434 0.8434 1.0043 1.0043 1.0356 1.0356 1.2982 1.2982 1.7608 1.7608 1.9147 1.9147 2.0704 2.0704 2.1655 2.1655 2.2603 2.2603 2.5172 2.5172 5.1418 5.1418 5.3489 5.3489 5.4574 5.4574 5.8781 5.8781 6.7507 6.7507 11.6265 11.6265 11.6621 11.6621 12.7151 12.7151 13.4966 13.4966 13.9072 13.9072 k = 0.0769 0.5160 0.8416 ( 4612 PWs) bands (ev): -19.8438 -19.8438 -19.8188 -19.8188 -17.1130 -17.1130 -17.0054 -17.0054 -16.5681 -16.5681 -16.5669 -16.5669 -4.6815 -4.6815 -4.5907 -4.5907 -3.9220 -3.9220 -3.7965 -3.7965 -3.7019 -3.7019 -3.6299 -3.6299 -0.5873 -0.5873 0.4240 0.4240 0.8531 0.8531 1.0125 1.0125 1.0268 1.0268 1.2842 1.2842 1.7576 1.7576 1.9392 1.9392 2.0906 2.0906 2.1667 2.1667 2.2686 2.2686 2.5170 2.5170 5.1522 5.1522 5.3531 5.3531 5.4621 5.4621 5.9230 5.9230 6.7542 6.7542 11.6440 11.6440 11.6627 11.6627 12.7177 12.7177 13.4294 13.4294 13.9225 13.9225 k = 0.0833 0.5008 0.8581 ( 4616 PWs) bands (ev): -19.8425 -19.8425 -19.8180 -19.8180 -17.1093 -17.1093 -17.0060 -17.0060 -16.5692 -16.5692 -16.5664 -16.5664 -4.6892 -4.6892 -4.5956 -4.5956 -3.9301 -3.9301 -3.8046 -3.8046 -3.7149 -3.7149 -3.6356 -3.6356 -0.6081 -0.6081 0.4137 0.4137 0.8624 0.8624 1.0104 1.0104 1.0280 1.0280 1.2723 1.2723 1.7536 1.7536 1.9626 1.9626 2.1120 2.1120 2.1685 2.1685 2.2779 2.2779 2.5170 2.5170 5.1631 5.1631 5.3573 5.3573 5.4673 5.4673 5.9696 5.9696 6.7584 6.7584 11.6523 11.6523 11.6716 11.6716 12.7204 12.7204 13.3639 13.3639 13.9367 13.9367 k = 0.0897 0.4856 0.8746 ( 4612 PWs) bands (ev): -19.8411 -19.8411 -19.8172 -19.8172 -17.1053 -17.1053 -17.0066 -17.0066 -16.5704 -16.5704 -16.5658 -16.5658 -4.6973 -4.6973 -4.6008 -4.6008 -3.9385 -3.9385 -3.8139 -3.8139 -3.7277 -3.7277 -3.6414 -3.6414 -0.6301 -0.6301 0.4033 0.4033 0.8713 0.8713 0.9991 0.9991 1.0386 1.0386 1.2624 1.2624 1.7489 1.7489 1.9851 1.9851 2.1344 2.1344 2.1710 2.1710 2.2881 2.2881 2.5170 2.5170 5.1745 5.1745 5.3615 5.3615 5.4730 5.4730 6.0173 6.0173 6.7632 6.7632 11.6517 11.6517 11.6880 11.6880 12.7233 12.7233 13.3007 13.3007 13.9488 13.9488 k = 0.0962 0.4703 0.8911 ( 4612 PWs) bands (ev): -19.8397 -19.8397 -19.8163 -19.8163 -17.1012 -17.1012 -17.0073 -17.0073 -16.5717 -16.5717 -16.5652 -16.5652 -4.7056 -4.7056 -4.6064 -4.6064 -3.9471 -3.9471 -3.8245 -3.8245 -3.7401 -3.7401 -3.6470 -3.6470 -0.6531 -0.6531 0.3928 0.3928 0.8797 0.8797 0.9860 0.9860 1.0510 1.0510 1.2545 1.2545 1.7435 1.7435 2.0066 2.0066 2.1573 2.1573 2.1744 2.1744 2.2992 2.2992 2.5171 2.5171 5.1862 5.1862 5.3657 5.3657 5.4791 5.4791 6.0657 6.0657 6.7689 6.7689 11.6490 11.6490 11.7045 11.7045 12.7263 12.7263 13.2403 13.2403 13.9575 13.9575 k = 0.1026 0.4551 0.9076 ( 4612 PWs) bands (ev): -19.8382 -19.8382 -19.8154 -19.8154 -17.0970 -17.0970 -17.0080 -17.0080 -16.5730 -16.5730 -16.5645 -16.5645 -4.7143 -4.7143 -4.6122 -4.6122 -3.9558 -3.9558 -3.8363 -3.8363 -3.7519 -3.7519 -3.6525 -3.6525 -0.6770 -0.6770 0.3825 0.3825 0.8874 0.8874 0.9720 0.9720 1.0644 1.0644 1.2484 1.2484 1.7374 1.7374 2.0274 2.0274 2.1762 2.1762 2.1829 2.1829 2.3110 2.3110 2.5174 2.5174 5.1981 5.1981 5.3698 5.3698 5.4857 5.4857 6.1141 6.1141 6.7756 6.7756 11.6455 11.6455 11.7192 11.7192 12.7293 12.7293 13.1832 13.1832 13.9624 13.9624 k = 0.1090 0.4399 0.9241 ( 4610 PWs) bands (ev): -19.8367 -19.8367 -19.8144 -19.8144 -17.0926 -17.0926 -17.0087 -17.0087 -16.5744 -16.5744 -16.5639 -16.5639 -4.7232 -4.7232 -4.6183 -4.6183 -3.9647 -3.9647 -3.8492 -3.8492 -3.7632 -3.7632 -3.6578 -3.6578 -0.7016 -0.7016 0.3723 0.3723 0.8944 0.8944 0.9577 0.9577 1.0784 1.0784 1.2439 1.2439 1.7306 1.7306 2.0474 2.0474 2.1818 2.1818 2.2055 2.2055 2.3236 2.3236 2.5178 2.5178 5.2103 5.2103 5.3737 5.3737 5.4927 5.4927 6.1619 6.1619 6.7834 6.7834 11.6414 11.6414 11.7314 11.7314 12.7324 12.7324 13.1295 13.1295 13.9635 13.9635 k = 0.1154 0.4247 0.9406 ( 4612 PWs) bands (ev): -19.8352 -19.8352 -19.8135 -19.8135 -17.0880 -17.0880 -17.0094 -17.0094 -16.5759 -16.5759 -16.5632 -16.5632 -4.7322 -4.7322 -4.6246 -4.6246 -3.9736 -3.9736 -3.8629 -3.8629 -3.7740 -3.7740 -3.6628 -3.6628 -0.7268 -0.7268 0.3623 0.3623 0.9009 0.9009 0.9430 0.9430 1.0929 1.0929 1.2409 1.2409 1.7231 1.7231 2.0668 2.0668 2.1869 2.1869 2.2291 2.2291 2.3367 2.3367 2.5183 2.5183 5.2225 5.2225 5.3776 5.3776 5.5001 5.5001 6.2087 6.2087 6.7925 6.7925 11.6367 11.6367 11.7408 11.7408 12.7353 12.7353 13.0794 13.0794 13.9613 13.9613 k = 0.1218 0.4095 0.9572 ( 4618 PWs) bands (ev): -19.8337 -19.8337 -19.8125 -19.8125 -17.0834 -17.0834 -17.0101 -17.0101 -16.5774 -16.5774 -16.5626 -16.5626 -4.7414 -4.7414 -4.6311 -4.6311 -3.9824 -3.9824 -3.8773 -3.8773 -3.7844 -3.7844 -3.6675 -3.6675 -0.7523 -0.7523 0.3526 0.3526 0.9067 0.9067 0.9284 0.9284 1.1076 1.1076 1.2392 1.2392 1.7150 1.7150 2.0856 2.0856 2.1925 2.1925 2.2525 2.2525 2.3503 2.3503 2.5189 2.5189 5.2348 5.2348 5.3813 5.3813 5.5078 5.5078 6.2538 6.2538 6.8032 6.8032 11.6316 11.6316 11.7467 11.7467 12.7381 12.7381 13.0328 13.0328 13.9571 13.9571 k = 0.1282 0.3943 0.9737 ( 4616 PWs) bands (ev): -19.8321 -19.8321 -19.8115 -19.8115 -17.0788 -17.0788 -17.0108 -17.0108 -16.5789 -16.5789 -16.5619 -16.5619 -4.7506 -4.7506 -4.6378 -4.6378 -3.9912 -3.9912 -3.8921 -3.8921 -3.7945 -3.7945 -3.6718 -3.6718 -0.7780 -0.7780 0.3433 0.3433 0.9110 0.9110 0.9149 0.9149 1.1224 1.1224 1.2388 1.2388 1.7063 1.7063 2.1038 2.1038 2.1986 2.1986 2.2755 2.2755 2.3642 2.3642 2.5198 2.5198 5.2471 5.2471 5.3850 5.3850 5.5159 5.5159 6.2967 6.2967 6.8156 6.8156 11.6260 11.6260 11.7491 11.7491 12.7407 12.7407 12.9898 12.9898 13.9525 13.9525 k = 0.1346 0.3791 0.9902 ( 4616 PWs) bands (ev): -19.8306 -19.8306 -19.8106 -19.8106 -17.0741 -17.0741 -17.0116 -17.0116 -16.5805 -16.5805 -16.5613 -16.5613 -4.7598 -4.7598 -4.6445 -4.6445 -3.9999 -3.9999 -3.9071 -3.9071 -3.8042 -3.8042 -3.6758 -3.6758 -0.8037 -0.8037 0.3344 0.3344 0.8992 0.8992 0.9173 0.9173 1.1370 1.1370 1.2394 1.2394 1.6971 1.6971 2.1215 2.1215 2.2051 2.2051 2.2979 2.2979 2.3784 2.3784 2.5207 2.5207 5.2591 5.2591 5.3885 5.3885 5.5241 5.5241 6.3368 6.3368 6.8300 6.8300 11.6201 11.6201 11.7478 11.7478 12.7429 12.7429 12.9500 12.9500 13.9489 13.9489 k = 0.1410 0.3639 1.0067 ( 4618 PWs) bands (ev): -19.8290 -19.8290 -19.8096 -19.8096 -17.0695 -17.0695 -17.0123 -17.0123 -16.5821 -16.5821 -16.5606 -16.5606 -4.7689 -4.7689 -4.6513 -4.6513 -4.0083 -4.0083 -3.9220 -3.9220 -3.8137 -3.8137 -3.6795 -3.6795 -0.8293 -0.8293 0.3259 0.3259 0.8854 0.8854 0.9216 0.9216 1.1513 1.1513 1.2410 1.2410 1.6876 1.6876 2.1386 2.1386 2.2119 2.2119 2.3195 2.3195 2.3926 2.3926 2.5218 2.5218 5.2710 5.2710 5.3919 5.3919 5.5325 5.5325 6.3736 6.3736 6.8466 6.8466 11.6138 11.6138 11.7429 11.7429 12.7448 12.7448 12.9131 12.9131 13.9477 13.9477 k = 0.1474 0.3487 1.0232 ( 4624 PWs) bands (ev): -19.8275 -19.8275 -19.8087 -19.8087 -17.0648 -17.0648 -17.0130 -17.0130 -16.5837 -16.5837 -16.5600 -16.5600 -4.7780 -4.7780 -4.6580 -4.6580 -4.0165 -4.0165 -3.9368 -3.9368 -3.8230 -3.8230 -3.6827 -3.6827 -0.8544 -0.8544 0.3179 0.3179 0.8721 0.8721 0.9256 0.9256 1.1651 1.1651 1.2435 1.2435 1.6777 1.6777 2.1550 2.1550 2.2189 2.2189 2.3404 2.3404 2.4067 2.4067 2.5231 2.5231 5.2824 5.2824 5.3953 5.3953 5.5409 5.5409 6.4069 6.4069 6.8653 6.8653 11.6074 11.6074 11.7347 11.7347 12.7462 12.7462 12.8787 12.8787 13.9499 13.9499 k = 0.1538 0.3335 1.0397 ( 4620 PWs) bands (ev): -19.8261 -19.8261 -19.8077 -19.8077 -17.0603 -17.0603 -17.0137 -17.0137 -16.5853 -16.5853 -16.5593 -16.5593 -4.7868 -4.7868 -4.6647 -4.6647 -4.0245 -4.0245 -3.9512 -3.9512 -3.8319 -3.8319 -3.6857 -3.6857 -0.8791 -0.8791 0.3103 0.3103 0.8593 0.8593 0.9292 0.9292 1.1781 1.1781 1.2469 1.2469 1.6675 1.6675 2.1708 2.1708 2.2261 2.2261 2.3603 2.3603 2.4207 2.4207 2.5245 2.5245 5.2935 5.2935 5.3987 5.3987 5.5494 5.5494 6.4364 6.4364 6.8860 6.8860 11.6008 11.6008 11.7236 11.7236 12.7473 12.7473 12.8466 12.8466 13.9562 13.9562 k = 0.1603 0.3183 1.0562 ( 4614 PWs) bands (ev): -19.8246 -19.8246 -19.8068 -19.8068 -17.0558 -17.0558 -17.0144 -17.0144 -16.5869 -16.5869 -16.5587 -16.5587 -4.7954 -4.7954 -4.6713 -4.6713 -4.0321 -4.0321 -3.9650 -3.9650 -3.8406 -3.8406 -3.6883 -3.6883 -0.9030 -0.9030 0.3033 0.3033 0.8471 0.8471 0.9325 0.9325 1.1904 1.1904 1.2510 1.2510 1.6572 1.6572 2.1859 2.1859 2.2333 2.2333 2.3793 2.3793 2.4344 2.4344 2.5260 2.5260 5.3041 5.3041 5.4020 5.4020 5.5578 5.5578 6.4622 6.4622 6.9085 6.9085 11.5941 11.5941 11.7101 11.7101 12.7478 12.7478 12.8165 12.8165 13.9669 13.9669 k = 0.1667 0.3031 1.0727 ( 4618 PWs) bands (ev): -19.8232 -19.8232 -19.8060 -19.8060 -17.0514 -17.0514 -17.0150 -17.0150 -16.5885 -16.5885 -16.5581 -16.5581 -4.8038 -4.8038 -4.6776 -4.6776 -4.0394 -4.0394 -3.9783 -3.9783 -3.8489 -3.8489 -3.6907 -3.6907 -0.9260 -0.9260 0.2968 0.2968 0.8357 0.8357 0.9355 0.9355 1.2017 1.2017 1.2559 1.2559 1.6468 1.6468 2.2002 2.2002 2.2405 2.2405 2.3971 2.3971 2.4476 2.4476 2.5276 2.5276 5.3140 5.3140 5.4054 5.4054 5.5660 5.5660 6.4843 6.4843 6.9324 6.9324 11.5874 11.5874 11.6946 11.6946 12.7479 12.7479 12.7880 12.7880 13.9821 13.9821 k = 0.1731 0.2879 1.0892 ( 4612 PWs) bands (ev): -19.8219 -19.8219 -19.8052 -19.8052 -17.0473 -17.0473 -17.0157 -17.0157 -16.5901 -16.5901 -16.5576 -16.5576 -4.8118 -4.8118 -4.6838 -4.6838 -4.0463 -4.0463 -3.9909 -3.9909 -3.8569 -3.8569 -3.6928 -3.6928 -0.9480 -0.9480 0.2907 0.2907 0.8250 0.8250 0.9382 0.9382 1.2120 1.2120 1.2615 1.2615 1.6364 1.6364 2.2137 2.2137 2.2477 2.2477 2.4139 2.4139 2.4602 2.4602 2.5293 2.5293 5.3232 5.3232 5.4087 5.4087 5.5740 5.5740 6.5030 6.5030 6.9572 6.9572 11.5809 11.5809 11.6779 11.6779 12.7475 12.7475 12.7612 12.7612 14.0016 14.0016 k = 0.1795 0.2727 1.1057 ( 4618 PWs) bands (ev): -19.8207 -19.8207 -19.8044 -19.8044 -17.0433 -17.0433 -17.0163 -17.0163 -16.5916 -16.5916 -16.5570 -16.5570 -4.8193 -4.8193 -4.6896 -4.6896 -4.0528 -4.0528 -4.0028 -4.0028 -3.8644 -3.8644 -3.6946 -3.6946 -0.9688 -0.9688 0.2852 0.2852 0.8150 0.8150 0.9407 0.9407 1.2212 1.2212 1.2676 1.2676 1.6262 1.6262 2.2263 2.2263 2.2546 2.2546 2.4294 2.4294 2.4722 2.4722 2.5310 2.5310 5.3317 5.3317 5.4121 5.4121 5.5816 5.5816 6.5187 6.5187 6.9823 6.9823 11.5745 11.5745 11.6604 11.6604 12.7353 12.7353 12.7472 12.7472 14.0250 14.0250 k = 0.1859 0.2575 1.1222 ( 4620 PWs) bands (ev): -19.8195 -19.8195 -19.8037 -19.8037 -17.0395 -17.0395 -17.0168 -17.0168 -16.5930 -16.5930 -16.5565 -16.5565 -4.8265 -4.8265 -4.6952 -4.6952 -4.0588 -4.0588 -4.0137 -4.0137 -3.8715 -3.8715 -3.6962 -3.6962 -0.9882 -0.9882 0.2802 0.2802 0.8059 0.8059 0.9429 0.9429 1.2295 1.2295 1.2740 1.2740 1.6162 1.6162 2.2380 2.2380 2.2613 2.2613 2.4438 2.4438 2.4834 2.4834 2.5328 2.5328 5.3393 5.3393 5.4155 5.4155 5.5889 5.5889 6.5319 6.5319 7.0071 7.0071 11.5683 11.5683 11.6428 11.6428 12.7115 12.7115 12.7460 12.7460 14.0517 14.0517 k = 0.1923 0.2422 1.1387 ( 4620 PWs) bands (ev): -19.8184 -19.8184 -19.8030 -19.8030 -17.0360 -17.0360 -17.0173 -17.0173 -16.5943 -16.5943 -16.5561 -16.5561 -4.8331 -4.8331 -4.7003 -4.7003 -4.0644 -4.0644 -4.0238 -4.0238 -3.8781 -3.8781 -3.6975 -3.6975 -1.0062 -1.0062 0.2757 0.2757 0.7976 0.7976 0.9448 0.9448 1.2368 1.2368 1.2805 1.2805 1.6065 1.6065 2.2486 2.2486 2.2676 2.2676 2.4568 2.4568 2.4937 2.4937 2.5347 2.5347 5.3461 5.3461 5.4189 5.4189 5.5957 5.5957 6.5427 6.5427 7.0311 7.0311 11.5624 11.5624 11.6254 11.6254 12.6892 12.6892 12.7447 12.7447 14.0809 14.0809 k = 0.1987 0.2270 1.1552 ( 4610 PWs) bands (ev): -19.8174 -19.8174 -19.8024 -19.8024 -17.0328 -17.0328 -17.0178 -17.0178 -16.5956 -16.5956 -16.5556 -16.5556 -4.8392 -4.8392 -4.7050 -4.7050 -4.0694 -4.0694 -4.0329 -4.0329 -3.8841 -3.8841 -3.6987 -3.6987 -1.0226 -1.0226 0.2717 0.2717 0.7901 0.7901 0.9466 0.9466 1.2434 1.2434 1.2869 1.2869 1.5974 1.5974 2.2582 2.2582 2.2736 2.2736 2.4685 2.4685 2.5031 2.5031 2.5365 2.5365 5.3521 5.3521 5.4223 5.4223 5.6020 5.6020 6.5517 6.5517 7.0538 7.0538 11.5570 11.5570 11.6089 11.6089 12.6687 12.6687 12.7432 12.7432 14.1119 14.1119 k = 0.2051 0.2118 1.1717 ( 4614 PWs) bands (ev): -19.8166 -19.8166 -19.8018 -19.8018 -17.0299 -17.0299 -17.0182 -17.0182 -16.5967 -16.5967 -16.5553 -16.5553 -4.8447 -4.8447 -4.7093 -4.7093 -4.0740 -4.0740 -4.0409 -4.0409 -3.8894 -3.8894 -3.6997 -3.6997 -1.0374 -1.0374 0.2681 0.2681 0.7835 0.7835 0.9481 0.9481 1.2492 1.2492 1.2930 1.2930 1.5888 1.5888 2.2667 2.2667 2.2792 2.2792 2.4789 2.4789 2.5114 2.5114 2.5384 2.5384 5.3571 5.3571 5.4255 5.4255 5.6076 5.6076 6.5590 6.5590 7.0747 7.0747 11.5519 11.5519 11.5934 11.5934 12.6500 12.6500 12.7417 12.7417 14.1436 14.1436 k = 0.2115 0.1966 1.1882 ( 4618 PWs) bands (ev): -19.8158 -19.8158 -19.8013 -19.8013 -17.0273 -17.0273 -17.0185 -17.0185 -16.5978 -16.5978 -16.5549 -16.5549 -4.8495 -4.8495 -4.7131 -4.7131 -4.0780 -4.0780 -4.0480 -4.0480 -3.8942 -3.8942 -3.7005 -3.7005 -1.0504 -1.0504 0.2651 0.2651 0.7777 0.7777 0.9494 0.9494 1.2543 1.2543 1.2986 1.2986 1.5810 1.5810 2.2739 2.2739 2.2844 2.2844 2.4879 2.4879 2.5186 2.5186 2.5403 2.5403 5.3614 5.3614 5.4285 5.4285 5.6127 5.6127 6.5649 6.5649 7.0935 7.0935 11.5472 11.5472 11.5795 11.5795 12.6335 12.6335 12.7401 12.7401 14.1750 14.1750 k = 0.2179 0.1814 1.2047 ( 4612 PWs) bands (ev): -19.8151 -19.8151 -19.8009 -19.8009 -17.0252 -17.0252 -17.0188 -17.0188 -16.5987 -16.5987 -16.5546 -16.5546 -4.8536 -4.8536 -4.7163 -4.7163 -4.0814 -4.0814 -4.0540 -4.0540 -3.8983 -3.8983 -3.7012 -3.7012 -1.0615 -1.0615 0.2625 0.2625 0.7728 0.7728 0.9505 0.9505 1.2586 1.2586 1.3036 1.3036 1.5740 1.5740 2.2798 2.2798 2.2890 2.2890 2.4954 2.4954 2.5247 2.5247 2.5422 2.5422 5.3648 5.3648 5.4313 5.4313 5.6171 5.6171 6.5697 6.5697 7.1099 7.1099 11.5431 11.5431 11.5675 11.5675 12.6192 12.6192 12.7386 12.7386 14.2048 14.2048 k = 0.2244 0.1662 1.2212 ( 4608 PWs) bands (ev): -19.8145 -19.8145 -19.8006 -19.8006 -17.0234 -17.0234 -17.0189 -17.0189 -16.5994 -16.5994 -16.5544 -16.5544 -4.8571 -4.8571 -4.7190 -4.7190 -4.0843 -4.0843 -4.0589 -4.0589 -3.9016 -3.9016 -3.7018 -3.7018 -1.0707 -1.0707 0.2604 0.2604 0.7688 0.7688 0.9513 0.9513 1.2623 1.2623 1.3078 1.3078 1.5680 1.5680 2.2845 2.2845 2.2931 2.2931 2.5015 2.5015 2.5295 2.5295 2.5441 2.5441 5.3676 5.3676 5.4338 5.4338 5.6207 5.6207 6.5734 6.5734 7.1236 7.1236 11.5393 11.5393 11.5577 11.5577 12.6073 12.6073 12.7373 12.7373 14.2316 14.2316 k = 0.2308 0.1510 1.2377 ( 4606 PWs) bands (ev): -19.8141 -19.8141 -19.8003 -19.8003 -17.0221 -17.0221 -17.0190 -17.0190 -16.6000 -16.6000 -16.5542 -16.5542 -4.8598 -4.8598 -4.7211 -4.7211 -4.0866 -4.0866 -4.0627 -4.0627 -3.9043 -3.9043 -3.7022 -3.7022 -1.0779 -1.0779 0.2588 0.2588 0.7657 0.7657 0.9520 0.9520 1.2653 1.2653 1.3112 1.3112 1.5632 1.5632 2.2880 2.2880 2.2965 2.2965 2.5062 2.5062 2.5331 2.5331 2.5459 2.5459 5.3697 5.3697 5.4357 5.4357 5.6236 5.6236 6.5761 6.5761 7.1345 7.1345 11.5359 11.5359 11.5502 11.5502 12.5978 12.5978 12.7362 12.7362 14.2537 14.2537 k = 0.2372 0.1358 1.2542 ( 4604 PWs) bands (ev): -19.8138 -19.8138 -19.8001 -19.8001 -17.0213 -17.0213 -17.0189 -17.0189 -16.6004 -16.6004 -16.5541 -16.5541 -4.8617 -4.8617 -4.7226 -4.7226 -4.0882 -4.0882 -4.0654 -4.0654 -3.9062 -3.9062 -3.7025 -3.7025 -1.0830 -1.0830 0.2576 0.2576 0.7635 0.7635 0.9525 0.9525 1.2674 1.2674 1.3137 1.3137 1.5597 1.5597 2.2905 2.2905 2.2991 2.2991 2.5095 2.5095 2.5355 2.5355 2.5474 2.5474 5.3711 5.3711 5.4372 5.4372 5.6256 5.6256 6.5780 6.5780 7.1424 7.1424 11.5329 11.5329 11.5453 11.5453 12.5911 12.5911 12.7354 12.7354 14.2692 14.2692 k = 0.2436 0.1206 1.2707 ( 4608 PWs) bands (ev): -19.8136 -19.8136 -19.8000 -19.8000 -17.0210 -17.0210 -17.0187 -17.0187 -16.6007 -16.6007 -16.5540 -16.5540 -4.8629 -4.8629 -4.7236 -4.7236 -4.0892 -4.0892 -4.0670 -4.0670 -3.9073 -3.9073 -3.7026 -3.7026 -1.0861 -1.0861 0.2569 0.2569 0.7622 0.7622 0.9528 0.9528 1.2687 1.2687 1.3152 1.3152 1.5576 1.5576 2.2919 2.2919 2.3006 2.3006 2.5115 2.5115 2.5369 2.5369 2.5483 2.5483 5.3720 5.3720 5.4381 5.4381 5.6269 5.6269 6.5792 6.5792 7.1471 7.1471 11.5309 11.5309 11.5426 11.5426 12.5869 12.5869 12.7348 12.7348 14.2773 14.2773 k = 0.2500 0.1054 1.2872 ( 4604 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8633 -4.8633 -4.7239 -4.7239 -4.0895 -4.0895 -4.0675 -4.0675 -3.9077 -3.9077 -3.7027 -3.7027 -1.0872 -1.0872 0.2567 0.2567 0.7617 0.7617 0.9529 0.9529 1.2691 1.2691 1.3157 1.3157 1.5568 1.5568 2.2924 2.2924 2.3012 2.3012 2.5121 2.5121 2.5373 2.5373 2.5487 2.5487 5.3723 5.3723 5.4384 5.4384 5.6273 5.6273 6.5795 6.5795 7.1487 7.1487 11.5301 11.5301 11.5418 11.5418 12.5856 12.5856 12.7347 12.7347 14.2795 14.2795 k = 0.2500 0.1054 1.2872 ( 4604 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8633 -4.8633 -4.7239 -4.7239 -4.0895 -4.0895 -4.0675 -4.0675 -3.9077 -3.9077 -3.7027 -3.7027 -1.0872 -1.0872 0.2567 0.2567 0.7617 0.7617 0.9529 0.9529 1.2691 1.2691 1.3157 1.3157 1.5568 1.5568 2.2924 2.2924 2.3012 2.3012 2.5121 2.5121 2.5373 2.5373 2.5487 2.5487 5.3723 5.3723 5.4384 5.4384 5.6273 5.6273 6.5795 6.5795 7.1487 7.1487 11.5301 11.5301 11.5418 11.5418 12.5856 12.5856 12.7347 12.7347 14.2795 14.2795 k = 0.2692 0.1135 1.2784 ( 4606 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8633 -4.8633 -4.7238 -4.7238 -4.0915 -4.0915 -4.0651 -4.0651 -3.9081 -3.9081 -3.7025 -3.7025 -1.0871 -1.0871 0.2567 0.2567 0.7602 0.7602 0.9552 0.9552 1.2690 1.2690 1.3158 1.3158 1.5562 1.5562 2.2919 2.2919 2.3014 2.3014 2.5120 2.5120 2.5366 2.5366 2.5493 2.5493 5.3722 5.3722 5.4384 5.4384 5.6272 5.6272 6.5795 6.5795 7.1485 7.1485 11.5055 11.5055 11.5676 11.5676 12.5863 12.5863 12.7342 12.7342 14.2212 14.2212 k = 0.2885 0.1216 1.2696 ( 4616 PWs) bands (ev): -19.8136 -19.8136 -19.8000 -19.8000 -17.0209 -17.0209 -17.0186 -17.0186 -16.6007 -16.6007 -16.5540 -16.5540 -4.8632 -4.8632 -4.7235 -4.7235 -4.0957 -4.0957 -4.0596 -4.0596 -3.9094 -3.9094 -3.7020 -3.7020 -1.0868 -1.0868 0.2568 0.2568 0.7558 0.7558 0.9617 0.9617 1.2687 1.2687 1.3159 1.3159 1.5545 1.5545 2.2907 2.2907 2.3021 2.3021 2.5115 2.5115 2.5349 2.5349 2.5510 2.5510 5.3721 5.3721 5.4382 5.4382 5.6270 5.6270 6.5793 6.5793 7.1478 7.1478 11.4775 11.4775 11.5991 11.5991 12.5885 12.5885 12.7328 12.7328 14.1538 14.1538 k = 0.3077 0.1297 1.2608 ( 4615 PWs) bands (ev): -19.8136 -19.8136 -19.8000 -19.8000 -17.0210 -17.0210 -17.0187 -17.0187 -16.6007 -16.6007 -16.5540 -16.5540 -4.8630 -4.8630 -4.7231 -4.7231 -4.1005 -4.1005 -4.0525 -4.0525 -3.9114 -3.9114 -3.7013 -3.7013 -1.0863 -1.0863 0.2570 0.2570 0.7492 0.7492 0.9717 0.9717 1.2683 1.2683 1.3160 1.3160 1.5516 1.5516 2.2888 2.2888 2.3031 2.3031 2.5107 2.5107 2.5326 2.5326 2.5532 2.5532 5.3719 5.3719 5.4380 5.4380 5.6267 5.6267 6.5791 6.5791 7.1466 7.1466 11.4514 11.4514 11.6309 11.6309 12.5923 12.5923 12.7306 12.7306 14.0871 14.0871 k = 0.3269 0.1378 1.2520 ( 4613 PWs) bands (ev): -19.8137 -19.8137 -19.8001 -19.8001 -17.0212 -17.0212 -17.0187 -17.0187 -16.6006 -16.6006 -16.5540 -16.5540 -4.8628 -4.8628 -4.7225 -4.7225 -4.1051 -4.1051 -4.0447 -4.0447 -3.9142 -3.9142 -3.7004 -3.7004 -1.0856 -1.0856 0.2572 0.2572 0.7414 0.7414 0.9842 0.9842 1.2678 1.2678 1.3160 1.3160 1.5478 1.5478 2.2865 2.2865 2.3042 2.3042 2.5095 2.5095 2.5300 2.5300 2.5555 2.5555 5.3716 5.3716 5.4377 5.4377 5.6262 5.6262 6.5789 6.5789 7.1451 7.1451 11.4274 11.4274 11.6622 11.6622 12.5976 12.5976 12.7279 12.7279 14.0221 14.0221 k = 0.3462 0.1459 1.2432 ( 4612 PWs) bands (ev): -19.8137 -19.8137 -19.8001 -19.8001 -17.0214 -17.0214 -17.0187 -17.0187 -16.6005 -16.6005 -16.5540 -16.5540 -4.8624 -4.8624 -4.7219 -4.7219 -4.1093 -4.1093 -4.0365 -4.0365 -3.9177 -3.9177 -3.6994 -3.6994 -1.0846 -1.0846 0.2575 0.2575 0.7331 0.7331 0.9982 0.9982 1.2674 1.2674 1.3160 1.3160 1.5432 1.5432 2.2838 2.2838 2.3053 2.3053 2.5081 2.5081 2.5275 2.5275 2.5577 2.5577 5.3712 5.3712 5.4373 5.4373 5.6257 5.6257 6.5785 6.5785 7.1430 7.1430 11.4059 11.4059 11.6922 11.6922 12.6046 12.6046 12.7248 12.7248 13.9594 13.9594 k = 0.3654 0.1540 1.2344 ( 4618 PWs) bands (ev): -19.8138 -19.8138 -19.8002 -19.8002 -17.0218 -17.0218 -17.0187 -17.0187 -16.6004 -16.6004 -16.5540 -16.5540 -4.8619 -4.8619 -4.7212 -4.7212 -4.1128 -4.1128 -4.0279 -4.0279 -3.9219 -3.9219 -3.6983 -3.6983 -1.0834 -1.0834 0.2579 0.2579 0.7248 0.7248 1.0129 1.0129 1.2671 1.2671 1.3157 1.3157 1.5380 1.5380 2.2810 2.2810 2.3063 2.3063 2.5064 2.5064 2.5250 2.5250 2.5598 2.5598 5.3708 5.3708 5.4369 5.4369 5.6250 5.6250 6.5781 6.5781 7.1405 7.1405 11.3872 11.3872 11.7202 11.7202 12.6132 12.6132 12.7215 12.7215 13.8997 13.8997 k = 0.3846 0.1621 1.2256 ( 4607 PWs) bands (ev): -19.8138 -19.8138 -19.8004 -19.8004 -17.0222 -17.0222 -17.0186 -17.0186 -16.6002 -16.6002 -16.5541 -16.5541 -4.8612 -4.8612 -4.7204 -4.7204 -4.1157 -4.1157 -4.0191 -4.0191 -3.9265 -3.9265 -3.6973 -3.6973 -1.0818 -1.0818 0.2583 0.2583 0.7172 0.7172 1.0275 1.0275 1.2668 1.2668 1.3152 1.3152 1.5326 1.5326 2.2779 2.2779 2.3073 2.3073 2.5044 2.5044 2.5225 2.5225 2.5616 2.5616 5.3703 5.3703 5.4364 5.4364 5.6242 5.6242 6.5775 6.5775 7.1376 7.1376 11.3714 11.3714 11.7454 11.7454 12.6236 12.6236 12.7183 12.7183 13.8439 13.8439 k = 0.4038 0.1702 1.2168 ( 4612 PWs) bands (ev): -19.8139 -19.8139 -19.8005 -19.8005 -17.0228 -17.0228 -17.0184 -17.0184 -16.6000 -16.6000 -16.5541 -16.5541 -4.8603 -4.8603 -4.7197 -4.7197 -4.1178 -4.1178 -4.0102 -4.0102 -3.9316 -3.9316 -3.6964 -3.6964 -1.0800 -1.0800 0.2588 0.2588 0.7105 0.7105 1.0413 1.0413 1.2667 1.2667 1.3144 1.3144 1.5272 1.5272 2.2747 2.2747 2.3081 2.3081 2.5022 2.5022 2.5201 2.5201 2.5631 2.5631 5.3697 5.3697 5.4357 5.4357 5.6233 5.6233 6.5768 6.5768 7.1342 7.1342 11.3585 11.3585 11.7670 11.7670 12.6355 12.6355 12.7153 12.7153 13.7924 13.7924 k = 0.4231 0.1783 1.2080 ( 4610 PWs) bands (ev): -19.8139 -19.8139 -19.8007 -19.8007 -17.0235 -17.0235 -17.0183 -17.0183 -16.5998 -16.5998 -16.5541 -16.5541 -4.8592 -4.8592 -4.7189 -4.7189 -4.1191 -4.1191 -4.0012 -4.0012 -3.9371 -3.9371 -3.6956 -3.6956 -1.0778 -1.0778 0.2594 0.2594 0.7050 0.7050 1.0537 1.0537 1.2666 1.2666 1.3133 1.3133 1.5224 1.5224 2.2714 2.2714 2.3087 2.3087 2.4999 2.4999 2.5178 2.5178 2.5643 2.5643 5.3690 5.3690 5.4350 5.4350 5.6222 5.6222 6.5761 6.5761 7.1304 7.1304 11.3488 11.3488 11.7845 11.7845 12.6491 12.6491 12.7128 12.7128 13.7461 13.7461 k = 0.4423 0.1865 1.1992 ( 4610 PWs) bands (ev): -19.8140 -19.8140 -19.8009 -19.8009 -17.0242 -17.0242 -17.0180 -17.0180 -16.5996 -16.5996 -16.5541 -16.5541 -4.8579 -4.8579 -4.7181 -4.7181 -4.1196 -4.1196 -3.9922 -3.9922 -3.9429 -3.9429 -3.6951 -3.6951 -1.0752 -1.0752 0.2600 0.2600 0.7008 0.7008 1.0642 1.0642 1.2667 1.2667 1.3119 1.3119 1.5186 1.5186 2.2680 2.2680 2.3092 2.3092 2.4976 2.4976 2.5154 2.5154 2.5652 2.5652 5.3683 5.3683 5.4343 5.4343 5.6211 5.6211 6.5752 6.5752 7.1261 7.1261 11.3423 11.3423 11.7973 11.7973 12.6638 12.6638 12.7109 12.7109 13.7057 13.7057 k = 0.4615 0.1946 1.1904 ( 4606 PWs) bands (ev): -19.8141 -19.8141 -19.8012 -19.8012 -17.0251 -17.0251 -17.0177 -17.0177 -16.5993 -16.5993 -16.5541 -16.5541 -4.8564 -4.8564 -4.7174 -4.7174 -4.1193 -4.1193 -3.9834 -3.9834 -3.9487 -3.9487 -3.6949 -3.6949 -1.0723 -1.0723 0.2607 0.2607 0.6981 0.6981 1.0722 1.0722 1.2667 1.2667 1.3102 1.3102 1.5160 1.5160 2.2646 2.2646 2.3095 2.3095 2.4952 2.4952 2.5131 2.5131 2.5656 2.5656 5.3674 5.3674 5.4334 5.4334 5.6198 5.6198 6.5743 6.5743 7.1214 7.1214 11.3391 11.3391 11.8051 11.8051 12.6792 12.6792 12.7098 12.7098 13.6719 13.6719 k = 0.4808 0.2027 1.1816 ( 4606 PWs) bands (ev): -19.8141 -19.8141 -19.8014 -19.8014 -17.0260 -17.0260 -17.0174 -17.0174 -16.5990 -16.5990 -16.5542 -16.5542 -4.8548 -4.8548 -4.7167 -4.7167 -4.1181 -4.1181 -3.9753 -3.9753 -3.9541 -3.9541 -3.6949 -3.6949 -1.0689 -1.0689 0.2614 0.2614 0.6970 0.6970 1.0773 1.0773 1.2665 1.2665 1.3082 1.3082 1.5151 1.5151 2.2612 2.2612 2.3097 2.3097 2.4928 2.4928 2.5108 2.5108 2.5656 2.5656 5.3665 5.3665 5.4324 5.4324 5.6184 5.6184 6.5731 6.5731 7.1163 7.1163 11.3391 11.3391 11.8078 11.8078 12.6944 12.6944 12.7096 12.7096 13.6454 13.6454 k = 0.5000 0.2108 1.1728 ( 4608 PWs) bands (ev): -19.8142 -19.8142 -19.8017 -19.8017 -17.0271 -17.0271 -17.0170 -17.0170 -16.5987 -16.5987 -16.5542 -16.5542 -4.8529 -4.8529 -4.7161 -4.7161 -4.1161 -4.1161 -3.9703 -3.9703 -3.9566 -3.9566 -3.6951 -3.6951 -1.0652 -1.0652 0.2622 0.2622 0.6975 0.6975 1.0793 1.0793 1.2661 1.2661 1.3062 1.3062 1.5160 1.5160 2.2577 2.2577 2.3096 2.3096 2.4904 2.4904 2.5084 2.5084 2.5652 2.5652 5.3655 5.3655 5.4314 5.4314 5.6169 5.6169 6.5719 6.5719 7.1107 7.1107 11.3423 11.3423 11.8056 11.8056 12.7061 12.7061 12.7130 12.7130 13.6269 13.6269 k = 0.5000 0.2108 1.1728 ( 4608 PWs) bands (ev): -19.8142 -19.8142 -19.8017 -19.8017 -17.0271 -17.0271 -17.0170 -17.0170 -16.5987 -16.5987 -16.5542 -16.5542 -4.8529 -4.8529 -4.7161 -4.7161 -4.1161 -4.1161 -3.9703 -3.9703 -3.9566 -3.9566 -3.6951 -3.6951 -1.0652 -1.0652 0.2622 0.2622 0.6975 0.6975 1.0793 1.0793 1.2661 1.2661 1.3062 1.3062 1.5160 1.5160 2.2577 2.2577 2.3096 2.3096 2.4904 2.4904 2.5084 2.5084 2.5652 2.5652 5.3655 5.3655 5.4314 5.4314 5.6169 5.6169 6.5719 6.5719 7.1107 7.1107 11.3423 11.3423 11.8056 11.8056 12.7061 12.7061 12.7130 12.7130 13.6269 13.6269 k = 0.5000 0.2108 1.1494 ( 4602 PWs) bands (ev): -19.8146 -19.8146 -19.8025 -19.8025 -17.0302 -17.0302 -17.0159 -17.0159 -16.5979 -16.5979 -16.5543 -16.5543 -4.8473 -4.8473 -4.7142 -4.7142 -4.1089 -4.1089 -3.9667 -3.9667 -3.9533 -3.9533 -3.6963 -3.6963 -1.0537 -1.0537 0.2647 0.2647 0.7012 0.7012 1.0805 1.0805 1.2637 1.2637 1.3014 1.3014 1.5211 1.5211 2.2478 2.2478 2.3093 2.3093 2.4835 2.4835 2.5015 2.5015 2.5634 2.5634 5.3626 5.3626 5.4282 5.4282 5.6125 5.6125 6.5681 6.5681 7.0938 7.0938 11.3565 11.3565 11.7924 11.7924 12.7216 12.7216 12.7402 12.7402 13.5863 13.5863 k = 0.5000 0.2108 1.1259 ( 4606 PWs) bands (ev): -19.8149 -19.8149 -19.8034 -19.8034 -17.0339 -17.0339 -17.0146 -17.0146 -16.5968 -16.5968 -16.5544 -16.5544 -4.8407 -4.8407 -4.7120 -4.7120 -4.1005 -4.1005 -3.9624 -3.9624 -3.9495 -3.9495 -3.6976 -3.6976 -1.0402 -1.0402 0.2675 0.2675 0.7056 0.7056 1.0821 1.0821 1.2591 1.2591 1.2982 1.2982 1.5263 1.5263 2.2363 2.2363 2.3089 2.3089 2.4756 2.4756 2.4936 2.4936 2.5614 2.5614 5.3590 5.3590 5.4244 5.4244 5.6071 5.6071 6.5636 6.5636 7.0740 7.0740 11.3732 11.3732 11.7771 11.7771 12.7382 12.7382 12.7727 12.7727 13.5411 13.5411 k = 0.5000 0.2108 1.1025 ( 4598 PWs) bands (ev): -19.8154 -19.8154 -19.8045 -19.8045 -17.0382 -17.0382 -17.0130 -17.0130 -16.5957 -16.5957 -16.5545 -16.5545 -4.8332 -4.8332 -4.7096 -4.7096 -4.0909 -4.0909 -3.9575 -3.9575 -3.9453 -3.9453 -3.6990 -3.6990 -1.0247 -1.0247 0.2708 0.2708 0.7106 0.7106 1.0841 1.0841 1.2521 1.2521 1.2971 1.2971 1.5314 1.5314 2.2233 2.2233 2.3086 2.3086 2.4667 2.4667 2.4848 2.4848 2.5590 2.5590 5.3550 5.3550 5.4201 5.4201 5.6011 5.6011 6.5584 6.5584 7.0513 7.0513 11.3921 11.3921 11.7600 11.7600 12.7560 12.7560 12.8094 12.8094 13.4925 13.4925 k = 0.5000 0.2108 1.0790 ( 4598 PWs) bands (ev): -19.8159 -19.8159 -19.8057 -19.8057 -17.0429 -17.0429 -17.0113 -17.0113 -16.5944 -16.5944 -16.5546 -16.5546 -4.8249 -4.8249 -4.7068 -4.7068 -4.0800 -4.0800 -3.9520 -3.9520 -3.9407 -3.9407 -3.7005 -3.7005 -1.0071 -1.0071 0.2744 0.2744 0.7161 0.7161 1.0865 1.0865 1.2432 1.2432 1.2978 1.2978 1.5361 1.5361 2.2092 2.2092 2.3082 2.3082 2.4568 2.4568 2.4753 2.4753 2.5563 2.5563 5.3504 5.3504 5.4152 5.4152 5.5942 5.5942 6.5524 6.5524 7.0260 7.0260 11.4132 11.4132 11.7411 11.7411 12.7746 12.7746 12.8501 12.8501 13.4415 13.4415 k = 0.5000 0.2108 1.0556 ( 4606 PWs) bands (ev): -19.8165 -19.8165 -19.8071 -19.8071 -17.0480 -17.0480 -17.0093 -17.0093 -16.5930 -16.5930 -16.5547 -16.5547 -4.8158 -4.8158 -4.7039 -4.7039 -4.0680 -4.0680 -3.9459 -3.9459 -3.9358 -3.9358 -3.7020 -3.7020 -0.9877 -0.9877 0.2784 0.2784 0.7221 0.7221 1.0895 1.0895 1.2329 1.2329 1.2998 1.2998 1.5404 1.5404 2.1941 2.1941 2.3078 2.3078 2.4460 2.4460 2.4653 2.4653 2.5532 2.5532 5.3453 5.3453 5.4097 5.4097 5.5865 5.5865 6.5457 6.5457 6.9980 6.9980 11.4364 11.4364 11.7205 11.7205 12.7930 12.7930 12.8945 12.8945 13.3893 13.3893 k = 0.5000 0.2108 1.0321 ( 4602 PWs) bands (ev): -19.8171 -19.8171 -19.8086 -19.8086 -17.0535 -17.0535 -17.0072 -17.0072 -16.5916 -16.5916 -16.5548 -16.5548 -4.8061 -4.8061 -4.7008 -4.7008 -4.0549 -4.0549 -3.9393 -3.9393 -3.9306 -3.9306 -3.7035 -3.7035 -0.9664 -0.9664 0.2828 0.2828 0.7285 0.7285 1.0930 1.0930 1.2219 1.2219 1.3027 1.3027 1.5441 1.5441 2.1781 2.1781 2.3073 2.3073 2.4343 2.4343 2.4552 2.4552 2.5499 2.5499 5.3398 5.3398 5.4037 5.4037 5.5781 5.5781 6.5382 6.5382 6.9676 6.9676 11.4614 11.4614 11.6982 11.6982 12.8099 12.8099 12.9422 12.9422 13.3373 13.3373 k = 0.5000 0.2108 1.0086 ( 4602 PWs) bands (ev): -19.8178 -19.8178 -19.8102 -19.8102 -17.0594 -17.0594 -17.0049 -17.0049 -16.5901 -16.5901 -16.5548 -16.5548 -4.7956 -4.7956 -4.6975 -4.6975 -4.0407 -4.0407 -3.9323 -3.9323 -3.9252 -3.9252 -3.7050 -3.7050 -0.9433 -0.9433 0.2874 0.2874 0.7352 0.7352 1.0973 1.0973 1.2103 1.2103 1.3065 1.3065 1.5472 1.5472 2.1616 2.1616 2.3068 2.3068 2.4217 2.4217 2.4450 2.4450 2.5462 2.5462 5.3338 5.3338 5.3972 5.3972 5.5690 5.5690 6.5300 6.5300 6.9349 6.9349 11.4881 11.4881 11.6745 11.6745 12.8234 12.8234 12.9930 12.9930 13.2876 13.2876 k = 0.5000 0.2108 0.9852 ( 4602 PWs) bands (ev): -19.8186 -19.8186 -19.8120 -19.8120 -17.0657 -17.0657 -17.0024 -17.0024 -16.5885 -16.5885 -16.5548 -16.5548 -4.7847 -4.7847 -4.6941 -4.6941 -4.0256 -4.0256 -3.9252 -3.9252 -3.9194 -3.9194 -3.7064 -3.7064 -0.9184 -0.9184 0.2923 0.2923 0.7422 0.7422 1.1024 1.1024 1.1985 1.1985 1.3109 1.3109 1.5495 1.5495 2.1446 2.1446 2.3061 2.3061 2.4084 2.4084 2.4352 2.4352 2.5422 2.5422 5.3273 5.3273 5.3902 5.3902 5.5592 5.5592 6.5211 6.5211 6.9000 6.9000 11.5163 11.5163 11.6492 11.6492 12.8308 12.8308 13.0467 13.0467 13.2429 13.2429 k = 0.5000 0.2108 0.9617 ( 4592 PWs) bands (ev): -19.8195 -19.8195 -19.8139 -19.8139 -17.0722 -17.0722 -16.9997 -16.9997 -16.5869 -16.5869 -16.5547 -16.5547 -4.7732 -4.7732 -4.6906 -4.6906 -4.0096 -4.0096 -3.9185 -3.9185 -3.9126 -3.9126 -3.7077 -3.7077 -0.8919 -0.8919 0.2975 0.2975 0.7494 0.7494 1.1084 1.1084 1.1867 1.1867 1.3158 1.3158 1.5512 1.5512 2.1276 2.1276 2.3053 2.3053 2.3944 2.3944 2.4258 2.4258 2.5379 2.5379 5.3205 5.3205 5.3826 5.3826 5.5488 5.5488 6.5114 6.5114 6.8632 6.8632 11.5455 11.5455 11.6227 11.6227 12.8285 12.8285 13.1030 13.1030 13.2066 13.2066 k = 0.5000 0.2108 0.9383 ( 4590 PWs) bands (ev): -19.8204 -19.8204 -19.8159 -19.8159 -17.0789 -17.0789 -16.9969 -16.9969 -16.5853 -16.5853 -16.5546 -16.5546 -4.7614 -4.7614 -4.6871 -4.6871 -3.9929 -3.9929 -3.9126 -3.9126 -3.9046 -3.9046 -3.7087 -3.7087 -0.8638 -0.8638 0.3028 0.3028 0.7566 0.7566 1.1154 1.1154 1.1749 1.1749 1.3213 1.3213 1.5521 1.5521 2.1107 2.1107 2.3042 2.3042 2.3800 2.3800 2.4170 2.4170 2.5332 2.5332 5.3132 5.3132 5.3746 5.3746 5.5377 5.5377 6.5010 6.5010 6.8244 6.8244 11.5733 11.5733 11.5971 11.5971 12.8128 12.8128 13.1615 13.1615 13.1823 13.1823 k = 0.5000 0.2108 0.9148 ( 4586 PWs) bands (ev): -19.8215 -19.8215 -19.8181 -19.8181 -17.0859 -17.0859 -16.9940 -16.9940 -16.5836 -16.5836 -16.5544 -16.5544 -4.7493 -4.7493 -4.6835 -4.6835 -3.9756 -3.9756 -3.9074 -3.9074 -3.8956 -3.8956 -3.7096 -3.7096 -0.8342 -0.8342 0.3082 0.3082 0.7638 0.7638 1.1233 1.1233 1.1636 1.1636 1.3273 1.3273 1.5524 1.5524 2.0941 2.0941 2.3024 2.3024 2.3658 2.3658 2.4088 2.4088 2.5282 2.5282 5.3056 5.3056 5.3661 5.3661 5.5260 5.5260 6.4898 6.4898 6.7840 6.7840 11.5617 11.5617 11.6102 11.6102 12.7823 12.7823 13.1707 13.1707 13.2226 13.2226 k = 0.5000 0.2108 0.8914 ( 4582 PWs) bands (ev): -19.8225 -19.8225 -19.8203 -19.8203 -17.0931 -17.0931 -16.9908 -16.9908 -16.5820 -16.5820 -16.5542 -16.5542 -4.7369 -4.7369 -4.6798 -4.6798 -3.9579 -3.9579 -3.9025 -3.9025 -3.8860 -3.8860 -3.7103 -3.7103 -0.8032 -0.8032 0.3138 0.3138 0.7708 0.7708 1.1313 1.1313 1.1537 1.1537 1.3338 1.3338 1.5520 1.5520 2.0780 2.0780 2.2994 2.2994 2.3523 2.3523 2.4013 2.4013 2.5228 2.5228 5.2977 5.2977 5.3572 5.3572 5.5138 5.5138 6.4779 6.4779 6.7420 6.7420 11.5313 11.5313 11.6413 11.6413 12.7385 12.7385 13.1709 13.1709 13.2853 13.2853 k = 0.5000 0.2108 0.8679 ( 4560 PWs) bands (ev): -19.8237 -19.8237 -19.8227 -19.8227 -17.1004 -17.1004 -16.9876 -16.9876 -16.5803 -16.5803 -16.5538 -16.5538 -4.7245 -4.7245 -4.6761 -4.6761 -3.9402 -3.9402 -3.8976 -3.8976 -3.8758 -3.8758 -3.7108 -3.7108 -0.7708 -0.7708 0.3195 0.3195 0.7776 0.7776 1.1336 1.1336 1.1514 1.1514 1.3408 1.3408 1.5512 1.5512 2.0628 2.0628 2.2942 2.2942 2.3408 2.3408 2.3945 2.3945 2.5170 2.5170 5.2895 5.2895 5.3478 5.3478 5.5011 5.5011 6.4652 6.4652 6.6987 6.6987 11.4986 11.4986 11.6733 11.6733 12.6844 12.6844 13.1790 13.1790 13.3497 13.3497 k = 0.5000 0.2108 0.8444 ( 4568 PWs) bands (ev): -19.8252 -19.8252 -19.8250 -19.8250 -17.1079 -17.1079 -16.9843 -16.9843 -16.5786 -16.5786 -16.5534 -16.5534 -4.7122 -4.7122 -4.6723 -4.6723 -3.9236 -3.9236 -3.8917 -3.8917 -3.8652 -3.8652 -3.7111 -3.7111 -0.7372 -0.7372 0.3251 0.3251 0.7840 0.7840 1.1259 1.1259 1.1610 1.1610 1.3483 1.3483 1.5499 1.5499 2.0485 2.0485 2.2858 2.2858 2.3324 2.3324 2.3884 2.3884 2.5108 2.5108 5.2809 5.2809 5.3379 5.3379 5.4878 5.4878 6.4517 6.4517 6.6540 6.6540 11.4645 11.4645 11.7052 11.7052 12.6231 12.6231 13.1918 13.1918 13.4157 13.4157 k = 0.5000 0.2108 0.8210 ( 4580 PWs) bands (ev): -19.8278 -19.8278 -19.8263 -19.8263 -17.1154 -17.1154 -16.9808 -16.9808 -16.5769 -16.5769 -16.5529 -16.5529 -4.7003 -4.7003 -4.6681 -4.6681 -3.9102 -3.9102 -3.8830 -3.8830 -3.8541 -3.8541 -3.7112 -3.7112 -0.7025 -0.7025 0.3308 0.3308 0.7899 0.7899 1.1162 1.1162 1.1748 1.1748 1.3562 1.3562 1.5484 1.5484 2.0353 2.0353 2.2739 2.2739 2.3275 2.3275 2.3831 2.3831 2.5043 2.5043 5.2721 5.2721 5.3275 5.3275 5.4742 5.4742 6.4374 6.4374 6.6082 6.6082 11.4288 11.4288 11.7365 11.7365 12.5569 12.5569 13.2067 13.2067 13.4829 13.4829 k = 0.5000 0.2108 0.7975 ( 4580 PWs) bands (ev): -19.8305 -19.8305 -19.8277 -19.8277 -17.1230 -17.1230 -16.9773 -16.9773 -16.5752 -16.5752 -16.5523 -16.5523 -4.6894 -4.6894 -4.6632 -4.6632 -3.9021 -3.9021 -3.8694 -3.8694 -3.8426 -3.8426 -3.7111 -3.7111 -0.6667 -0.6667 0.3363 0.3363 0.7953 0.7953 1.1067 1.1067 1.1908 1.1908 1.3647 1.3647 1.5467 1.5467 2.0236 2.0236 2.2598 2.2598 2.3250 2.3250 2.3785 2.3785 2.4973 2.4973 5.2631 5.2631 5.3167 5.3167 5.4602 5.4602 6.4225 6.4225 6.5615 6.5615 11.3917 11.3917 11.7668 11.7668 12.4873 12.4873 13.2220 13.2220 13.5511 13.5511 k = 0.5000 0.2108 0.7741 ( 4586 PWs) bands (ev): -19.8333 -19.8333 -19.8292 -19.8292 -17.1306 -17.1306 -16.9736 -16.9736 -16.5735 -16.5735 -16.5516 -16.5516 -4.6803 -4.6803 -4.6566 -4.6566 -3.8977 -3.8977 -3.8527 -3.8527 -3.8306 -3.8306 -3.7110 -3.7110 -0.6300 -0.6300 0.3418 0.3418 0.8001 0.8001 1.0977 1.0977 1.2087 1.2087 1.3736 1.3736 1.5450 1.5450 2.0133 2.0133 2.2443 2.2443 2.3240 2.3240 2.3744 2.3744 2.4899 2.4899 5.2538 5.2538 5.3055 5.3055 5.4460 5.4460 6.4068 6.4068 6.5140 6.5140 11.3533 11.3533 11.7956 11.7956 12.4152 12.4152 13.2364 13.2364 13.6202 13.6202 k = 0.5000 0.2108 0.7506 ( 4586 PWs) bands (ev): -19.8362 -19.8362 -19.8307 -19.8307 -17.1382 -17.1382 -16.9699 -16.9699 -16.5718 -16.5718 -16.5508 -16.5508 -4.6737 -4.6737 -4.6478 -4.6478 -3.8953 -3.8953 -3.8352 -3.8352 -3.8179 -3.8179 -3.7108 -3.7108 -0.5925 -0.5925 0.3471 0.3471 0.8044 0.8044 1.0894 1.0894 1.2286 1.2286 1.3831 1.3831 1.5434 1.5434 2.0048 2.0048 2.2283 2.2283 2.3240 2.3240 2.3710 2.3710 2.4820 2.4820 5.2445 5.2445 5.2937 5.2937 5.4316 5.4316 6.3903 6.3903 6.4659 6.4659 11.3136 11.3136 11.8221 11.8221 12.3412 12.3412 13.2491 13.2491 13.6899 13.6899 k = 0.5000 0.2108 0.7272 ( 4574 PWs) bands (ev): -19.8392 -19.8392 -19.8323 -19.8323 -17.1457 -17.1457 -16.9661 -16.9661 -16.5701 -16.5701 -16.5498 -16.5498 -4.6693 -4.6693 -4.6372 -4.6372 -3.8938 -3.8938 -3.8183 -3.8183 -3.8040 -3.8040 -3.7106 -3.7106 -0.5542 -0.5542 0.3522 0.3522 0.8080 0.8080 1.0820 1.0820 1.2503 1.2503 1.3930 1.3930 1.5422 1.5422 1.9981 1.9981 2.2122 2.2122 2.3246 2.3246 2.3681 2.3681 2.4738 2.4738 5.2350 5.2350 5.2816 5.2816 5.4171 5.4171 6.3731 6.3731 6.4172 6.4172 11.2727 11.2727 11.8458 11.8458 12.2660 12.2660 13.2594 13.2594 13.7027 13.7027 k = 0.5000 0.2108 0.7037 ( 4582 PWs) bands (ev): -19.8422 -19.8422 -19.8340 -19.8340 -17.1532 -17.1532 -16.9623 -16.9623 -16.5684 -16.5684 -16.5488 -16.5488 -4.6664 -4.6664 -4.6257 -4.6257 -3.8930 -3.8930 -3.8030 -3.8030 -3.7887 -3.7887 -3.7103 -3.7103 -0.5153 -0.5153 0.3571 0.3571 0.8110 0.8110 1.0755 1.0755 1.2738 1.2738 1.4034 1.4034 1.5413 1.5413 1.9933 1.9933 2.1962 2.1962 2.3257 2.3257 2.3656 2.3656 2.4651 2.4651 5.2253 5.2253 5.2689 5.2689 5.4025 5.4025 6.3550 6.3550 6.3684 6.3684 11.2305 11.2305 11.8658 11.8658 12.1898 12.1898 13.2669 13.2669 13.6432 13.6432 k = 0.5000 0.2108 0.6802 ( 4584 PWs) bands (ev): -19.8453 -19.8453 -19.8357 -19.8357 -17.1607 -17.1607 -16.9585 -16.9585 -16.5668 -16.5668 -16.5476 -16.5476 -4.6642 -4.6642 -4.6138 -4.6138 -3.8927 -3.8927 -3.7892 -3.7892 -3.7724 -3.7724 -3.7100 -3.7100 -0.4759 -0.4759 0.3617 0.3617 0.8135 0.8135 1.0700 1.0700 1.2990 1.2990 1.4143 1.4143 1.5411 1.5411 1.9906 1.9906 2.1805 2.1805 2.3270 2.3270 2.3634 2.3634 2.4559 2.4559 5.2156 5.2156 5.2558 5.2558 5.3879 5.3879 6.3185 6.3185 6.3371 6.3371 11.1873 11.1873 11.8816 11.8816 12.1131 12.1131 13.2712 13.2712 13.5892 13.5892 k = 0.5000 0.2108 0.6568 ( 4606 PWs) bands (ev): -19.8484 -19.8484 -19.8375 -19.8375 -17.1680 -17.1680 -16.9546 -16.9546 -16.5651 -16.5651 -16.5464 -16.5464 -4.6628 -4.6628 -4.6019 -4.6019 -3.8927 -3.8927 -3.7762 -3.7762 -3.7564 -3.7564 -3.7090 -3.7090 -0.4362 -0.4362 0.3659 0.3659 0.8153 0.8153 1.0657 1.0657 1.3257 1.3257 1.4258 1.4258 1.5415 1.5415 1.9900 1.9900 2.1652 2.1652 2.3286 2.3286 2.3616 2.3616 2.4462 2.4462 5.2058 5.2058 5.2422 5.2422 5.3735 5.3735 6.2692 6.2692 6.3178 6.3178 11.1431 11.1431 11.8921 11.8921 12.0361 12.0361 13.2722 13.2722 13.5419 13.5419 k = 0.5000 0.2108 0.6333 ( 4618 PWs) bands (ev): -19.8516 -19.8516 -19.8394 -19.8394 -17.1753 -17.1753 -16.9507 -16.9507 -16.5634 -16.5634 -16.5451 -16.5451 -4.6618 -4.6618 -4.5901 -4.5901 -3.8930 -3.8930 -3.7637 -3.7637 -3.7424 -3.7424 -3.7066 -3.7066 -0.3961 -0.3961 0.3698 0.3698 0.8166 0.8166 1.0624 1.0624 1.3539 1.3539 1.4377 1.4377 1.5427 1.5427 1.9916 1.9916 2.1505 2.1505 2.3302 2.3302 2.3602 2.3602 2.4361 2.4361 5.1958 5.1958 5.2281 5.2281 5.3592 5.3592 6.2198 6.2198 6.2980 6.2980 11.0980 11.0980 11.8961 11.8961 11.9598 11.9598 13.2698 13.2698 13.5019 13.5019 k = 0.5000 0.2108 0.6099 ( 4620 PWs) bands (ev): -19.8548 -19.8548 -19.8413 -19.8413 -17.1823 -17.1823 -16.9468 -16.9468 -16.5618 -16.5618 -16.5436 -16.5436 -4.6613 -4.6613 -4.5784 -4.5784 -3.8935 -3.8935 -3.7518 -3.7518 -3.7325 -3.7325 -3.7005 -3.7005 -0.3559 -0.3559 0.3733 0.3733 0.8174 0.8174 1.0604 1.0604 1.3835 1.3835 1.4501 1.4501 1.5448 1.5448 1.9955 1.9955 2.1364 2.1364 2.3316 2.3316 2.3592 2.3592 2.4256 2.4256 5.1858 5.1858 5.2138 5.2138 5.3453 5.3453 6.1706 6.1706 6.2776 6.2776 11.0521 11.0521 11.8746 11.8746 11.9030 11.9030 13.2640 13.2640 13.4700 13.4700 k = 0.5000 0.2108 0.5864 ( 4620 PWs) bands (ev): -19.8580 -19.8580 -19.8432 -19.8432 -17.1893 -17.1893 -16.9429 -16.9429 -16.5601 -16.5601 -16.5421 -16.5421 -4.6612 -4.6612 -4.5671 -4.5671 -3.8942 -3.8942 -3.7410 -3.7410 -3.7271 -3.7271 -3.6900 -3.6900 -0.3156 -0.3156 0.3765 0.3765 0.8177 0.8177 1.0596 1.0596 1.4141 1.4141 1.4631 1.4631 1.5480 1.5480 2.0017 2.0017 2.1230 2.1230 2.3326 2.3326 2.3587 2.3587 2.4146 2.4146 5.1754 5.1754 5.1994 5.1994 5.3318 5.3318 6.1218 6.1218 6.2567 6.2567 11.0055 11.0055 11.8018 11.8018 11.8913 11.8913 13.2549 13.2549 13.4465 13.4465 k = 0.5000 0.2108 0.5630 ( 4610 PWs) bands (ev): -19.8612 -19.8612 -19.8451 -19.8451 -17.1960 -17.1960 -16.9391 -16.9391 -16.5584 -16.5584 -16.5405 -16.5405 -4.6615 -4.6615 -4.5561 -4.5561 -3.8950 -3.8950 -3.7344 -3.7344 -3.7213 -3.7213 -3.6771 -3.6771 -0.2754 -0.2754 0.3792 0.3792 0.8176 0.8176 1.0599 1.0599 1.4456 1.4456 1.4767 1.4767 1.5524 1.5524 2.0101 2.0101 2.1104 2.1104 2.3328 2.3328 2.3591 2.3591 2.4032 2.4032 5.1645 5.1645 5.1853 5.1853 5.3187 5.3187 6.0734 6.0734 6.2354 6.2354 10.9584 10.9584 11.7258 11.7258 11.8767 11.8767 13.2427 13.2427 13.4317 13.4317 k = 0.5000 0.2108 0.5395 ( 4614 PWs) bands (ev): -19.8644 -19.8644 -19.8471 -19.8471 -17.2026 -17.2026 -16.9353 -16.9353 -16.5568 -16.5568 -16.5388 -16.5388 -4.6622 -4.6622 -4.5454 -4.5454 -3.8959 -3.8959 -3.7337 -3.7337 -3.7116 -3.7116 -3.6636 -3.6636 -0.2353 -0.2353 0.3814 0.3814 0.8170 0.8170 1.0614 1.0614 1.4774 1.4774 1.4912 1.4912 1.5580 1.5580 2.0208 2.0208 2.0986 2.0986 2.3318 2.3318 2.3603 2.3603 2.3915 2.3915 5.1523 5.1523 5.1719 5.1719 5.3061 5.3061 6.0255 6.0255 6.2136 6.2136 10.9109 10.9109 11.6501 11.6501 11.8563 11.8563 13.2277 13.2277 13.4254 13.4254 k = 0.5000 0.2108 0.5160 ( 4630 PWs) bands (ev): -19.8676 -19.8676 -19.8491 -19.8491 -17.2090 -17.2090 -16.9315 -16.9315 -16.5552 -16.5552 -16.5370 -16.5370 -4.6632 -4.6632 -4.5351 -4.5351 -3.8970 -3.8970 -3.7356 -3.7356 -3.7005 -3.7005 -3.6503 -3.6503 -0.1956 -0.1956 0.3833 0.3833 0.8160 0.8160 1.0640 1.0640 1.5027 1.5027 1.5134 1.5134 1.5650 1.5650 2.0336 2.0336 2.0877 2.0877 2.3295 2.3295 2.3621 2.3621 2.3800 2.3800 5.1385 5.1385 5.1600 5.1600 5.2939 5.2939 5.9784 5.9784 6.1914 6.1914 10.8632 10.8632 11.5752 11.5752 11.8302 11.8302 13.2102 13.2102 13.4270 13.4270 k = 0.5000 0.2108 0.4926 ( 4622 PWs) bands (ev): -19.8707 -19.8707 -19.8511 -19.8511 -17.2152 -17.2152 -16.9278 -16.9278 -16.5536 -16.5536 -16.5352 -16.5352 -4.6645 -4.6645 -4.5253 -4.5253 -3.8981 -3.8981 -3.7385 -3.7385 -3.6893 -3.6893 -3.6377 -3.6377 -0.1562 -0.1562 0.3847 0.3847 0.8147 0.8147 1.0676 1.0676 1.5185 1.5185 1.5457 1.5457 1.5734 1.5734 2.0486 2.0486 2.0776 2.0776 2.3258 2.3258 2.3616 2.3616 2.3715 2.3715 5.1232 5.1232 5.1495 5.1495 5.2823 5.2823 5.9321 5.9321 6.1689 6.1689 10.8153 10.8153 11.5013 11.5013 11.7991 11.7991 13.1905 13.1905 13.4360 13.4360 k = 0.5000 0.2108 0.4691 ( 4622 PWs) bands (ev): -19.8738 -19.8738 -19.8531 -19.8531 -17.2212 -17.2212 -16.9242 -16.9242 -16.5520 -16.5520 -16.5334 -16.5334 -4.6661 -4.6661 -4.5159 -4.5159 -3.8994 -3.8994 -3.7420 -3.7420 -3.6782 -3.6782 -3.6259 -3.6259 -0.1174 -0.1174 0.3857 0.3857 0.8129 0.8129 1.0720 1.0720 1.5339 1.5339 1.5786 1.5786 1.5838 1.5838 2.0653 2.0653 2.0687 2.0687 2.3205 2.3205 2.3524 2.3524 2.3725 2.3725 5.1068 5.1068 5.1401 5.1401 5.2712 5.2712 5.8868 5.8868 6.1463 6.1463 10.7676 10.7676 11.4288 11.4288 11.7638 11.7638 13.1690 13.1690 13.4514 13.4514 k = 0.5000 0.2108 0.4457 ( 4622 PWs) bands (ev): -19.8769 -19.8769 -19.8550 -19.8550 -17.2269 -17.2269 -16.9206 -16.9206 -16.5504 -16.5504 -16.5315 -16.5315 -4.6679 -4.6679 -4.5069 -4.5069 -3.9008 -3.9008 -3.7459 -3.7459 -3.6673 -3.6673 -3.6150 -3.6150 -0.0791 -0.0791 0.3863 0.3863 0.8107 0.8107 1.0773 1.0773 1.5497 1.5497 1.5944 1.5944 1.6129 1.6129 2.0598 2.0598 2.0846 2.0846 2.3133 2.3133 2.3410 2.3410 2.3765 2.3765 5.0898 5.0898 5.1314 5.1314 5.2607 5.2607 5.8427 5.8427 6.1235 6.1235 10.7202 10.7202 11.3579 11.3579 11.7252 11.7252 13.1459 13.1459 13.4725 13.4725 k = 0.5000 0.2108 0.4222 ( 4622 PWs) bands (ev): -19.8799 -19.8799 -19.8570 -19.8570 -17.2324 -17.2324 -16.9172 -16.9172 -16.5488 -16.5488 -16.5296 -16.5296 -4.6700 -4.6700 -4.4984 -4.4984 -3.9023 -3.9023 -3.7501 -3.7501 -3.6567 -3.6567 -3.6049 -3.6049 -0.0416 -0.0416 0.3865 0.3865 0.8082 0.8082 1.0831 1.0831 1.5657 1.5657 1.6075 1.6075 1.6461 1.6461 2.0523 2.0523 2.1051 2.1051 2.3039 2.3039 2.3301 2.3301 2.3814 2.3814 5.0724 5.0724 5.1232 5.1232 5.2507 5.2507 5.7998 5.7998 6.1006 6.1006 10.6733 10.6733 11.2886 11.2886 11.6843 11.6843 13.1218 13.1218 13.4982 13.4982 k = 0.5000 0.2108 0.3988 ( 4622 PWs) bands (ev): -19.8828 -19.8828 -19.8589 -19.8589 -17.2377 -17.2377 -16.9139 -16.9139 -16.5473 -16.5473 -16.5277 -16.5277 -4.6723 -4.6723 -4.4905 -4.4905 -3.9039 -3.9039 -3.7543 -3.7543 -3.6465 -3.6465 -3.5957 -3.5957 -0.0050 -0.0050 0.3864 0.3864 0.8053 0.8053 1.0894 1.0894 1.5822 1.5822 1.6222 1.6222 1.6789 1.6789 2.0455 2.0455 2.1272 2.1272 2.2922 2.2922 2.3199 2.3199 2.3868 2.3868 5.0548 5.0548 5.1156 5.1156 5.2413 5.2413 5.7582 5.7582 6.0779 6.0779 10.6271 10.6271 11.2214 11.2214 11.6417 11.6417 13.0968 13.0968 13.5276 13.5276 k = 0.5000 0.2108 0.3753 ( 4618 PWs) bands (ev): -19.8856 -19.8856 -19.8608 -19.8608 -17.2427 -17.2427 -16.9107 -16.9107 -16.5458 -16.5458 -16.5258 -16.5258 -4.6747 -4.6747 -4.4829 -4.4829 -3.9057 -3.9057 -3.7586 -3.7586 -3.6367 -3.6367 -3.5874 -3.5874 0.0307 0.0307 0.3859 0.3859 0.8020 0.8020 1.0960 1.0960 1.5992 1.5992 1.6384 1.6384 1.7111 1.7111 2.0396 2.0396 2.1504 2.1504 2.2786 2.2786 2.3102 2.3102 2.3924 2.3924 5.0373 5.0373 5.1083 5.1083 5.2324 5.2324 5.7182 5.7182 6.0554 6.0554 10.5818 10.5818 11.1564 11.1564 11.5985 11.5985 13.0714 13.0714 13.5599 13.5599 k = 0.5000 0.2108 0.3519 ( 4624 PWs) bands (ev): -19.8883 -19.8883 -19.8626 -19.8626 -17.2474 -17.2474 -16.9076 -16.9076 -16.5443 -16.5443 -16.5239 -16.5239 -4.6772 -4.6772 -4.4759 -4.4759 -3.9077 -3.9077 -3.7628 -3.7628 -3.6273 -3.6273 -3.5800 -3.5800 0.0653 0.0653 0.3852 0.3852 0.7984 0.7984 1.1028 1.1028 1.6166 1.6166 1.6560 1.6560 1.7424 1.7424 2.0343 2.0343 2.1745 2.1745 2.2637 2.2637 2.3006 2.3006 2.3984 2.3984 5.0199 5.0199 5.1015 5.1015 5.2240 5.2240 5.6799 5.6799 6.0331 6.0331 10.5377 10.5377 11.0939 11.0939 11.5551 11.5551 13.0458 13.0458 13.5941 13.5941 k = 0.5000 0.2108 0.3284 ( 4620 PWs) bands (ev): -19.8909 -19.8909 -19.8644 -19.8644 -17.2519 -17.2519 -16.9047 -16.9047 -16.5429 -16.5429 -16.5220 -16.5220 -4.6798 -4.6798 -4.4694 -4.4694 -3.9099 -3.9099 -3.7669 -3.7669 -3.6184 -3.6184 -3.5733 -3.5733 0.0988 0.0988 0.3842 0.3842 0.7944 0.7944 1.1096 1.1096 1.6344 1.6344 1.6751 1.6751 1.7727 1.7727 2.0298 2.0298 2.1988 2.1988 2.2479 2.2479 2.2906 2.2906 2.4046 2.4046 5.0028 5.0028 5.0952 5.0952 5.2162 5.2162 5.6433 5.6433 6.0113 6.0113 10.4949 10.4949 11.0340 11.0340 11.5123 11.5123 13.0204 13.0204 13.6294 13.6294 k = 0.5000 0.2108 0.3049 ( 4616 PWs) bands (ev): -19.8934 -19.8934 -19.8660 -19.8660 -17.2560 -17.2560 -16.9019 -16.9019 -16.5416 -16.5416 -16.5203 -16.5203 -4.6825 -4.6825 -4.4634 -4.4634 -3.9122 -3.9122 -3.7707 -3.7707 -3.6100 -3.6100 -3.5674 -3.5674 0.1310 0.1310 0.3831 0.3831 0.7901 0.7901 1.1164 1.1164 1.6527 1.6527 1.6956 1.6956 1.8019 1.8019 2.0258 2.0258 2.2210 2.2210 2.2331 2.2331 2.2808 2.2808 2.4109 2.4109 4.9862 4.9862 5.0892 5.0892 5.2089 5.2089 5.6086 5.6086 5.9902 5.9902 10.4537 10.4537 10.9770 10.9770 11.4707 11.4707 12.9955 12.9955 13.6230 13.6230 k = 0.5000 0.2108 0.2815 ( 4620 PWs) bands (ev): -19.8957 -19.8957 -19.8676 -19.8676 -17.2599 -17.2599 -16.8993 -16.8993 -16.5403 -16.5403 -16.5185 -16.5185 -4.6851 -4.6851 -4.4579 -4.4579 -3.9146 -3.9146 -3.7742 -3.7742 -3.6022 -3.6022 -3.5621 -3.5621 0.1618 0.1618 0.3817 0.3817 0.7855 0.7855 1.1229 1.1229 1.6713 1.6713 1.7173 1.7173 1.8296 1.8296 2.0226 2.0226 2.2128 2.2128 2.2443 2.2443 2.2738 2.2738 2.4173 2.4173 4.9700 4.9700 5.0837 5.0837 5.2021 5.2021 5.5760 5.5760 5.9698 5.9698 10.4144 10.4144 10.9232 10.9232 11.4305 11.4305 12.9713 12.9713 13.5752 13.5752 k = 0.5000 0.2108 0.2580 ( 4620 PWs) bands (ev): -19.8979 -19.8979 -19.8691 -19.8691 -17.2635 -17.2635 -16.8969 -16.8969 -16.5391 -16.5391 -16.5169 -16.5169 -4.6877 -4.6877 -4.4529 -4.4529 -3.9172 -3.9172 -3.7775 -3.7775 -3.5949 -3.5949 -3.5575 -3.5575 0.1910 0.1910 0.3803 0.3803 0.7806 0.7806 1.1291 1.1291 1.6902 1.6902 1.7402 1.7402 1.8558 1.8558 2.0198 2.0198 2.1954 2.1954 2.2464 2.2464 2.2831 2.2831 2.4238 2.4238 4.9545 4.9545 5.0786 5.0786 5.1959 5.1959 5.5455 5.5455 5.9502 5.9502 10.3771 10.3771 10.8727 10.8727 11.3924 11.3924 12.9480 12.9480 13.5307 13.5307 k = 0.5000 0.2108 0.2346 ( 4628 PWs) bands (ev): -19.8999 -19.8999 -19.8705 -19.8705 -17.2668 -17.2668 -16.8946 -16.8946 -16.5380 -16.5380 -16.5154 -16.5154 -4.6902 -4.6902 -4.4483 -4.4483 -3.9198 -3.9198 -3.7804 -3.7804 -3.5883 -3.5883 -3.5535 -3.5535 0.2186 0.2186 0.3789 0.3789 0.7754 0.7754 1.1349 1.1349 1.7092 1.7092 1.7640 1.7640 1.8803 1.8803 2.0176 2.0176 2.1775 2.1775 2.2353 2.2353 2.3039 2.3039 2.4304 2.4304 4.9398 4.9398 5.0739 5.0739 5.1901 5.1901 5.5172 5.5172 5.9317 5.9317 10.3422 10.3422 10.8257 10.8257 11.3566 11.3566 12.9260 12.9260 13.4899 13.4899 k = 0.5000 0.2108 0.2111 ( 4636 PWs) bands (ev): -19.9018 -19.9018 -19.8719 -19.8719 -17.2698 -17.2698 -16.8926 -16.8926 -16.5369 -16.5369 -16.5139 -16.5139 -4.6926 -4.6926 -4.4443 -4.4443 -3.9224 -3.9224 -3.7829 -3.7829 -3.5822 -3.5822 -3.5500 -3.5500 0.2444 0.2444 0.3774 0.3774 0.7702 0.7702 1.1403 1.1403 1.7284 1.7284 1.7888 1.7888 1.9029 1.9029 2.0159 2.0159 2.1594 2.1594 2.2211 2.2211 2.3254 2.3254 2.4371 2.4371 4.9260 4.9260 5.0697 5.0697 5.1848 5.1848 5.4914 5.4914 5.9144 5.9144 10.3098 10.3098 10.7825 10.7825 11.3234 11.3234 12.9054 12.9054 13.4527 13.4527 k = 0.5000 0.2108 0.1877 ( 4644 PWs) bands (ev): -19.9035 -19.9035 -19.8730 -19.8730 -17.2725 -17.2725 -16.8907 -16.8907 -16.5359 -16.5359 -16.5126 -16.5126 -4.6948 -4.6948 -4.4407 -4.4407 -3.9250 -3.9250 -3.7851 -3.7851 -3.5769 -3.5769 -3.5469 -3.5469 0.2683 0.2683 0.3761 0.3761 0.7648 0.7648 1.1452 1.1452 1.7475 1.7475 1.8143 1.8143 1.9235 1.9235 2.0147 2.0147 2.1411 2.1411 2.2053 2.2053 2.3457 2.3457 2.4439 2.4439 4.9132 4.9132 5.0659 5.0659 5.1800 5.1800 5.4680 5.4680 5.8984 5.8984 10.2801 10.2801 10.7433 10.7433 11.2931 11.2931 12.8864 12.8864 13.4194 13.4194 k = 0.5000 0.2108 0.1642 ( 4636 PWs) bands (ev): -19.9050 -19.9050 -19.8741 -19.8741 -17.2749 -17.2749 -16.8891 -16.8891 -16.5351 -16.5351 -16.5114 -16.5114 -4.6969 -4.6969 -4.4375 -4.4375 -3.9275 -3.9275 -3.7870 -3.7870 -3.5721 -3.5721 -3.5443 -3.5443 0.2900 0.2900 0.3748 0.3748 0.7595 0.7595 1.1495 1.1495 1.7663 1.7663 1.8403 1.8403 1.9418 1.9418 2.0139 2.0139 2.1229 2.1229 2.1882 2.1882 2.3639 2.3639 2.4509 2.4509 4.9016 4.9016 5.0626 5.0626 5.1758 5.1758 5.4472 5.4472 5.8840 5.8840 10.2534 10.2534 10.7082 10.7082 11.2659 11.2659 12.8692 12.8692 13.3899 13.3899 k = 0.5000 0.2108 0.1407 ( 4636 PWs) bands (ev): -19.9063 -19.9063 -19.8750 -19.8750 -17.2770 -17.2770 -16.8876 -16.8876 -16.5343 -16.5343 -16.5104 -16.5104 -4.6987 -4.6987 -4.4348 -4.4348 -3.9298 -3.9298 -3.7886 -3.7886 -3.5681 -3.5681 -3.5420 -3.5420 0.3093 0.3093 0.3738 0.3738 0.7543 0.7543 1.1534 1.1534 1.7847 1.7847 1.8665 1.8665 1.9577 1.9577 2.0138 2.0138 2.1050 2.1050 2.1701 2.1701 2.3796 2.3796 2.4579 2.4579 4.8913 4.8913 5.0597 5.0597 5.1721 5.1721 5.4290 5.4290 5.8711 5.8711 10.2298 10.2298 10.6775 10.6775 11.2420 11.2420 12.8540 12.8540 13.3642 13.3642 k = 0.5000 0.2108 0.1173 ( 4642 PWs) bands (ev): -19.9075 -19.9075 -19.8758 -19.8758 -17.2787 -17.2787 -16.8864 -16.8864 -16.5336 -16.5336 -16.5095 -16.5095 -4.7004 -4.7004 -4.4325 -4.4325 -3.9318 -3.9318 -3.7898 -3.7898 -3.5648 -3.5648 -3.5400 -3.5400 0.3259 0.3259 0.3731 0.3731 0.7495 0.7495 1.1566 1.1566 1.8023 1.8023 1.8929 1.8929 1.9708 1.9708 2.0142 2.0142 2.0877 2.0877 2.1512 2.1512 2.3925 2.3925 2.4649 2.4649 4.8823 4.8823 5.0572 5.0572 5.1689 5.1689 5.4135 5.4135 5.8600 5.8600 10.2095 10.2095 10.6512 10.6512 11.2215 11.2215 12.8409 12.8409 13.3425 13.3425 k = 0.5000 0.2108 0.0938 ( 4642 PWs) bands (ev): -19.9084 -19.9084 -19.8765 -19.8765 -17.2802 -17.2802 -16.8854 -16.8854 -16.5331 -16.5331 -16.5087 -16.5087 -4.7017 -4.7017 -4.4307 -4.4307 -3.9336 -3.9336 -3.7908 -3.7908 -3.5621 -3.5621 -3.5384 -3.5384 0.3396 0.3396 0.3729 0.3729 0.7452 0.7452 1.1593 1.1593 1.8186 1.8186 1.9190 1.9190 1.9809 1.9809 2.0155 2.0155 2.0712 2.0712 2.1315 2.1315 2.4027 2.4027 2.4716 2.4716 4.8748 4.8748 5.0552 5.0552 5.1663 5.1663 5.4008 5.4008 5.8507 5.8507 10.1928 10.1928 10.6294 10.6294 11.2045 11.2045 12.8299 12.8299 13.3246 13.3246 k = 0.5000 0.2108 0.0704 ( 4636 PWs) bands (ev): -19.9091 -19.9091 -19.8770 -19.8770 -17.2813 -17.2813 -16.8846 -16.8846 -16.5327 -16.5327 -16.5081 -16.5081 -4.7028 -4.7028 -4.4293 -4.4293 -3.9350 -3.9350 -3.7916 -3.7916 -3.5600 -3.5600 -3.5371 -3.5371 0.3497 0.3497 0.3735 0.3735 0.7416 0.7416 1.1613 1.1613 1.8330 1.8330 1.9444 1.9444 1.9881 1.9881 2.0175 2.0175 2.0559 2.0559 2.1118 2.1118 2.4101 2.4101 2.4775 2.4775 4.8689 4.8689 5.0537 5.0537 5.1642 5.1642 5.3909 5.3909 5.8434 5.8434 10.1796 10.1796 10.6124 10.6124 11.1913 11.1913 12.8214 12.8214 13.3107 13.3107 k = 0.5000 0.2108 0.0469 ( 4640 PWs) bands (ev): -19.9097 -19.9097 -19.8774 -19.8774 -17.2821 -17.2821 -16.8840 -16.8840 -16.5324 -16.5324 -16.5077 -16.5077 -4.7035 -4.7035 -4.4282 -4.4282 -3.9361 -3.9361 -3.7921 -3.7921 -3.5586 -3.5586 -3.5362 -3.5362 0.3561 0.3561 0.3749 0.3749 0.7389 0.7389 1.1628 1.1628 1.8446 1.8446 1.9683 1.9683 1.9929 1.9929 2.0199 2.0199 2.0422 2.0422 2.0930 2.0930 2.4152 2.4152 2.4821 2.4821 4.8647 4.8647 5.0525 5.0525 5.1627 5.1627 5.3838 5.3838 5.8381 5.8381 10.1701 10.1701 10.6002 10.6002 11.1817 11.1817 12.8152 12.8152 13.3008 13.3008 k = 0.5000 0.2108 0.0235 ( 4632 PWs) bands (ev): -19.9100 -19.9100 -19.8776 -19.8776 -17.2826 -17.2826 -16.8837 -16.8837 -16.5322 -16.5322 -16.5074 -16.5074 -4.7040 -4.7040 -4.4276 -4.4276 -3.9367 -3.9367 -3.7924 -3.7924 -3.5577 -3.5577 -3.5357 -3.5357 0.3591 0.3591 0.3767 0.3767 0.7372 0.7372 1.1637 1.1637 1.8523 1.8523 1.9870 1.9870 1.9988 1.9988 2.0218 2.0218 2.0291 2.0291 2.0780 2.0780 2.4182 2.4182 2.4850 2.4850 4.8621 4.8621 5.0519 5.0519 5.1618 5.1618 5.3796 5.3796 5.8350 5.8350 10.1643 10.1643 10.5929 10.5929 11.1760 11.1760 12.8114 12.8114 13.2948 13.2948 k = 0.5000 0.2108-0.0000 ( 4622 PWs) bands (ev): -19.9101 -19.9101 -19.8777 -19.8777 -17.2828 -17.2828 -16.8835 -16.8835 -16.5321 -16.5321 -16.5073 -16.5073 -4.7042 -4.7042 -4.4274 -4.4274 -3.9369 -3.9369 -3.7925 -3.7925 -3.5574 -3.5574 -3.5355 -3.5355 0.3599 0.3599 0.3774 0.3774 0.7366 0.7366 1.1640 1.1640 1.8550 1.8550 1.9915 1.9915 2.0115 2.0115 2.0166 2.0166 2.0227 2.0227 2.0718 2.0718 2.4191 2.4191 2.4861 2.4861 4.8612 4.8612 5.0517 5.0517 5.1616 5.1616 5.3782 5.3782 5.8339 5.8339 10.1624 10.1624 10.5904 10.5904 11.1741 11.1741 12.8102 12.8102 13.2928 13.2928 k = 0.0000 0.0000 1.2872 ( 4604 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5539 -16.5539 -4.8657 -4.8657 -4.7204 -4.7204 -4.1320 -4.1320 -3.9784 -3.9784 -3.9642 -3.9642 -3.6924 -3.6924 -1.0908 -1.0908 0.2567 0.2567 0.6890 0.6890 1.0768 1.0768 1.2674 1.2674 1.3241 1.3241 1.5015 1.5015 2.2805 2.2805 2.3106 2.3106 2.5061 2.5061 2.5242 2.5242 2.5692 2.5692 5.3722 5.3722 5.4385 5.4385 5.6270 5.6270 6.5803 6.5803 7.1487 7.1487 11.3103 11.3103 11.8363 11.8363 12.6467 12.6467 12.6737 12.6737 13.7269 13.7269 k = 0.0208 0.0088 1.2872 ( 4600 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5539 -16.5539 -4.8656 -4.8656 -4.7205 -4.7205 -4.1316 -4.1316 -3.9826 -3.9826 -3.9603 -3.9603 -3.6926 -3.6926 -1.0907 -1.0907 0.2567 0.2567 0.6899 0.6899 1.0750 1.0750 1.2674 1.2674 1.3239 1.3239 1.5026 1.5026 2.2806 2.2806 2.3105 2.3105 2.5062 2.5062 2.5243 2.5243 2.5690 2.5690 5.3723 5.3723 5.4385 5.4385 5.6270 5.6270 6.5803 6.5803 7.1487 7.1487 11.3120 11.3120 11.8331 11.8331 12.6436 12.6436 12.6767 12.6767 13.7319 13.7319 k = 0.0417 0.0176 1.2872 ( 4602 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5539 -16.5539 -4.8655 -4.8655 -4.7206 -4.7206 -4.1304 -4.1304 -3.9903 -3.9903 -3.9533 -3.9533 -3.6931 -3.6931 -1.0906 -1.0906 0.2567 0.2567 0.6926 0.6926 1.0694 1.0694 1.2673 1.2673 1.3235 1.3235 1.5059 1.5059 2.2811 2.2811 2.3102 2.3102 2.5066 2.5066 2.5246 2.5246 2.5683 2.5683 5.3722 5.3722 5.4385 5.4385 5.6270 5.6270 6.5803 6.5803 7.1487 7.1487 11.3172 11.3172 11.8239 11.8239 12.6369 12.6369 12.6834 12.6834 13.7470 13.7470 k = 0.0625 0.0263 1.2872 ( 4602 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5539 -16.5539 -4.8653 -4.8653 -4.7209 -4.7209 -4.1285 -4.1285 -3.9988 -3.9988 -3.9460 -3.9460 -3.6938 -3.6938 -1.0903 -1.0903 0.2567 0.2567 0.6970 0.6970 1.0605 1.0605 1.2672 1.2672 1.3228 1.3228 1.5109 1.5109 2.2817 2.2817 2.3097 2.3097 2.5071 2.5071 2.5250 2.5250 2.5672 2.5672 5.3722 5.3722 5.4385 5.4385 5.6270 5.6270 6.5802 6.5802 7.1487 7.1487 11.3258 11.3258 11.8089 11.8089 12.6290 12.6290 12.6913 12.6913 13.7717 13.7717 k = 0.0833 0.0351 1.2872 ( 4612 PWs) bands (ev): -19.8136 -19.8136 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5539 -16.5539 -4.8651 -4.8651 -4.7213 -4.7213 -4.1257 -4.1257 -4.0076 -4.0076 -3.9389 -3.9389 -3.6949 -3.6949 -1.0899 -1.0899 0.2567 0.2567 0.7029 0.7029 1.0489 1.0489 1.2672 1.2672 1.3220 1.3220 1.5172 1.5172 2.2827 2.2827 2.3091 2.3091 2.5078 2.5078 2.5256 2.5256 2.5657 2.5657 5.3722 5.3722 5.4385 5.4385 5.6270 5.6270 6.5801 6.5801 7.1487 7.1487 11.3378 11.3378 11.7888 11.7888 12.6211 12.6211 12.6992 12.6992 13.8053 13.8053 k = 0.1042 0.0439 1.2872 ( 4616 PWs) bands (ev): -19.8136 -19.8136 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8648 -4.8648 -4.7217 -4.7217 -4.1223 -4.1223 -4.0166 -4.0166 -3.9323 -3.9323 -3.6961 -3.6961 -1.0895 -1.0895 0.2567 0.2567 0.7103 0.7103 1.0351 1.0351 1.2672 1.2672 1.3210 1.3210 1.5243 1.5243 2.2838 2.2838 2.3082 2.3082 2.5086 2.5086 2.5265 2.5265 2.5639 2.5639 5.3722 5.3722 5.4384 5.4384 5.6271 5.6271 6.5800 6.5800 7.1487 7.1487 11.3530 11.3530 11.7643 11.7643 12.6135 12.6135 12.7068 12.7068 13.8470 13.8470 k = 0.1250 0.0527 1.2872 ( 4620 PWs) bands (ev): -19.8136 -19.8136 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8645 -4.8645 -4.7221 -4.7221 -4.1182 -4.1182 -4.0255 -4.0255 -3.9262 -3.9262 -3.6974 -3.6974 -1.0890 -1.0890 0.2567 0.2567 0.7188 0.7188 1.0199 1.0199 1.2674 1.2674 1.3199 1.3199 1.5315 1.5315 2.2851 2.2851 2.3072 2.3072 2.5094 2.5094 2.5277 2.5277 2.5617 2.5617 5.3722 5.3722 5.4384 5.4384 5.6271 5.6271 6.5799 6.5799 7.1487 7.1487 11.3714 11.3714 11.7362 11.7362 12.6066 12.6066 12.7137 12.7137 13.8960 13.8960 k = 0.1458 0.0615 1.2872 ( 4610 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8642 -4.8642 -4.7226 -4.7226 -4.1134 -4.1134 -4.0343 -4.0343 -3.9209 -3.9209 -3.6987 -3.6987 -1.0885 -1.0885 0.2567 0.2567 0.7281 0.7281 1.0041 1.0041 1.2677 1.2677 1.3189 1.3189 1.5384 1.5384 2.2865 2.2865 2.3061 2.3061 2.5102 2.5102 2.5292 2.5292 2.5593 2.5593 5.3723 5.3723 5.4384 5.4384 5.6271 5.6271 6.5798 6.5798 7.1487 7.1487 11.3927 11.3927 11.7053 11.7053 12.6004 12.6004 12.7198 12.7198 13.9513 13.9513 k = 0.1667 0.0703 1.2872 ( 4610 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8639 -4.8639 -4.7230 -4.7230 -4.1082 -4.1082 -4.0429 -4.0429 -3.9163 -3.9163 -3.7000 -3.7000 -1.0881 -1.0881 0.2567 0.2567 0.7376 0.7376 0.9887 0.9887 1.2681 1.2681 1.3178 1.3178 1.5446 1.5446 2.2880 2.2880 2.3049 2.3049 2.5109 2.5109 2.5309 2.5309 2.5567 2.5567 5.3723 5.3723 5.4384 5.4384 5.6272 5.6272 6.5798 6.5798 7.1487 7.1487 11.4168 11.4168 11.6726 11.6726 12.5952 12.5952 12.7250 12.7250 14.0119 14.0119 k = 0.1875 0.0790 1.2872 ( 4620 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8637 -4.8637 -4.7234 -4.7234 -4.1026 -4.1026 -4.0511 -4.0511 -3.9126 -3.9126 -3.7011 -3.7011 -1.0877 -1.0877 0.2567 0.2567 0.7468 0.7468 0.9746 0.9746 1.2685 1.2685 1.3170 1.3170 1.5498 1.5498 2.2896 2.2896 2.3036 2.3036 2.5114 2.5114 2.5329 2.5329 2.5540 2.5540 5.3722 5.3722 5.4384 5.4384 5.6272 5.6272 6.5796 6.5796 7.1487 7.1487 11.4434 11.4434 11.6386 11.6386 12.5911 12.5911 12.7292 12.7292 14.0770 14.0770 k = 0.2083 0.0878 1.2872 ( 4616 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8635 -4.8635 -4.7236 -4.7236 -4.0969 -4.0969 -4.0587 -4.0587 -3.9099 -3.9099 -3.7020 -3.7020 -1.0874 -1.0874 0.2567 0.2567 0.7545 0.7545 0.9632 0.9632 1.2688 1.2688 1.3163 1.3163 1.5536 1.5536 2.2909 2.2909 2.3024 2.3024 2.5118 2.5118 2.5349 2.5349 2.5515 2.5515 5.3722 5.3722 5.4384 5.4384 5.6273 5.6273 6.5796 6.5796 7.1487 7.1487 11.4723 11.4723 11.6042 11.6042 12.5880 12.5880 12.7322 12.7322 14.1455 14.1455 k = 0.2292 0.0966 1.2872 ( 4608 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8634 -4.8634 -4.7238 -4.7238 -4.0918 -4.0918 -4.0648 -4.0648 -3.9083 -3.9083 -3.7025 -3.7025 -1.0873 -1.0873 0.2567 0.2567 0.7598 0.7598 0.9556 0.9556 1.2690 1.2690 1.3159 1.3159 1.5560 1.5560 2.2920 2.2920 2.3015 2.3015 2.5120 2.5120 2.5366 2.5366 2.5495 2.5495 5.3723 5.3723 5.4384 5.4384 5.6273 5.6273 6.5795 6.5795 7.1487 7.1487 11.5030 11.5030 11.5701 11.5701 12.5862 12.5862 12.7340 12.7340 14.2163 14.2163 k = 0.2500 0.1054 1.2872 ( 4604 PWs) bands (ev): -19.8135 -19.8135 -19.7999 -19.7999 -17.0209 -17.0209 -17.0186 -17.0186 -16.6008 -16.6008 -16.5540 -16.5540 -4.8633 -4.8633 -4.7239 -4.7239 -4.0895 -4.0895 -4.0675 -4.0675 -3.9077 -3.9077 -3.7027 -3.7027 -1.0872 -1.0872 0.2567 0.2567 0.7617 0.7617 0.9529 0.9529 1.2691 1.2691 1.3157 1.3157 1.5568 1.5568 2.2924 2.2924 2.3012 2.3012 2.5121 2.5121 2.5373 2.5373 2.5487 2.5487 5.3723 5.3723 5.4384 5.4384 5.6273 5.6273 6.5795 6.5795 7.1487 7.1487 11.5301 11.5301 11.5418 11.5418 12.5856 12.5856 12.7347 12.7347 14.2795 14.2795 Writing output data file Rb2NiF4.save init_run : 0.43s CPU 0.78s WALL ( 1 calls) electrons : 319.32s CPU 322.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.20s WALL ( 1 calls) potinit : 0.05s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 319.30s CPU 322.77s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 334 calls) cegterg : 288.65s CPU 291.10s WALL ( 439 calls) Called by sum_band: Called by *egterg: h_psi : 221.05s CPU 223.19s WALL ( 7035 calls) s_psi : 6.92s CPU 6.79s WALL ( 7035 calls) g_psi : 0.34s CPU 0.31s WALL ( 6262 calls) cdiaghg : 64.57s CPU 65.32s WALL ( 6596 calls) cegterg:over : 9.05s CPU 9.07s WALL ( 6262 calls) cegterg:upda : 7.52s CPU 7.41s WALL ( 6262 calls) cegterg:last : 4.05s CPU 4.16s WALL ( 1107 calls) cdiaghg:chol : 3.78s CPU 3.81s WALL ( 6596 calls) cdiaghg:inve : 2.65s CPU 2.68s WALL ( 6596 calls) cdiaghg:para : 4.34s CPU 4.38s WALL ( 13192 calls) Called by h_psi: h_psi:vloc : 204.98s CPU 206.94s WALL ( 7035 calls) h_psi:vnl : 15.76s CPU 15.92s WALL ( 7035 calls) add_vuspsi : 7.71s CPU 7.87s WALL ( 7035 calls) General routines calbec : 8.04s CPU 8.03s WALL ( 7035 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 190.10s CPU 191.59s WALL ( 941936 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.31s WALL ( 668 calls) Parallel routines fft_scatter : 56.00s CPU 56.43s WALL ( 941959 calls) PWSCF : 5m41.94s CPU 6m 5.48s WALL This run was terminated on: 18: 2:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=