Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:22:48 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: ./Zr2Zn.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 57 41 12 894 543 91 Max 58 42 13 896 554 93 Sum 2067 1485 453 32213 19727 3315 bravais-lattice index = 14 lattice parameter (alat) = 11.5183 a.u. unit-cell volume = 414.4976 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.518311 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.853173 celldm(5)= -0.853173 celldm(6)= 0.706345 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.706345 0.707868 0.000000 ) a(3) = ( -0.853173 -0.353934 0.383181 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.997849 1.304867 ) b(2) = ( 0.000000 1.412693 1.304867 ) b(3) = ( 0.000000 0.000000 2.609735 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Zr 4.00 91.22400 Zr( 1.00) Zn 12.00 65.40900 Zn( 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= 408 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0000000 0.0000000 0.0191892), wk = 0.0024510 k( 3) = ( 0.0000000 0.0000000 0.0383784), wk = 0.0024510 k( 4) = ( 0.0000000 0.0000000 0.0575677), wk = 0.0024510 k( 5) = ( 0.0000000 0.0000000 0.0767569), wk = 0.0024510 k( 6) = ( 0.0000000 0.0000000 0.0959461), wk = 0.0024510 k( 7) = ( 0.0000000 0.0000000 0.1151354), wk = 0.0024510 k( 8) = ( 0.0000000 0.0000000 0.1343246), wk = 0.0024510 k( 9) = ( 0.0000000 0.0000000 0.1535138), wk = 0.0024510 k( 10) = ( 0.0000000 0.0000000 0.1727030), wk = 0.0024510 k( 11) = ( 0.0000000 0.0000000 0.1918923), wk = 0.0024510 k( 12) = ( 0.0000000 0.0000000 0.2110815), wk = 0.0024510 k( 13) = ( 0.0000000 0.0000000 0.2302707), wk = 0.0024510 k( 14) = ( 0.0000000 0.0000000 0.2494600), wk = 0.0024510 k( 15) = ( 0.0000000 0.0000000 0.2686492), wk = 0.0024510 k( 16) = ( 0.0000000 0.0000000 0.2878384), wk = 0.0024510 k( 17) = ( 0.0000000 0.0000000 0.3070276), wk = 0.0024510 k( 18) = ( 0.0000000 0.0000000 0.3262169), wk = 0.0024510 k( 19) = ( 0.0000000 0.0000000 0.3454061), wk = 0.0024510 k( 20) = ( 0.0000000 0.0000000 0.3645953), wk = 0.0024510 k( 21) = ( 0.0000000 0.0000000 0.3837845), wk = 0.0024510 k( 22) = ( 0.0000000 0.0000000 0.4029737), wk = 0.0024510 k( 23) = ( 0.0000000 0.0000000 0.4221630), wk = 0.0024510 k( 24) = ( 0.0000000 0.0000000 0.4413522), wk = 0.0024510 k( 25) = ( 0.0000000 0.0000000 0.4605414), wk = 0.0024510 k( 26) = ( 0.0000000 0.0000000 0.4797307), wk = 0.0024510 k( 27) = ( 0.0000000 0.0000000 0.4989199), wk = 0.0024510 k( 28) = ( 0.0000000 0.0000000 0.5181091), wk = 0.0024510 k( 29) = ( 0.0000000 0.0000000 0.5372983), wk = 0.0024510 k( 30) = ( 0.0000000 0.0000000 0.5564876), wk = 0.0024510 k( 31) = ( 0.0000000 0.0000000 0.5756768), wk = 0.0024510 k( 32) = ( 0.0000000 0.0000000 0.5948660), wk = 0.0024510 k( 33) = ( 0.0000000 0.0000000 0.6140553), wk = 0.0024510 k( 34) = ( 0.0000000 0.0000000 0.6332445), wk = 0.0024510 k( 35) = ( 0.0000000 0.0000000 0.6524337), wk = 0.0024510 k( 36) = ( 0.0000000 0.0000000 0.6716229), wk = 0.0024510 k( 37) = ( 0.0000000 0.0000000 0.6908122), wk = 0.0024510 k( 38) = ( 0.0000000 0.0000000 0.7100014), wk = 0.0024510 k( 39) = ( 0.0000000 0.0000000 0.7291906), wk = 0.0024510 k( 40) = ( 0.0000000 0.0000000 0.7483798), wk = 0.0024510 k( 41) = ( 0.0000000 0.0000000 0.7675691), wk = 0.0024510 k( 42) = ( 0.0000000 0.0000000 0.7867583), wk = 0.0024510 k( 43) = ( 0.0000000 0.0000000 0.8059475), wk = 0.0024510 k( 44) = ( 0.0000000 0.0000000 0.8251367), wk = 0.0024510 k( 45) = ( 0.0000000 0.0000000 0.8443260), wk = 0.0024510 k( 46) = ( 0.0000000 0.0000000 0.8635152), wk = 0.0024510 k( 47) = ( 0.0000000 0.0000000 0.8827044), wk = 0.0024510 k( 48) = ( 0.0000000 0.0000000 0.9018937), wk = 0.0024510 k( 49) = ( 0.0000000 0.0000000 0.9210829), wk = 0.0024510 k( 50) = ( 0.0000000 0.0000000 0.9402721), wk = 0.0024510 k( 51) = ( 0.0000000 0.0000000 0.9594613), wk = 0.0024510 k( 52) = ( 0.0000000 0.0000000 0.9786506), wk = 0.0024510 k( 53) = ( 0.0000000 0.0000000 0.9978398), wk = 0.0024510 k( 54) = ( 0.0000000 0.0000000 1.0170290), wk = 0.0024510 k( 55) = ( 0.0000000 0.0000000 1.0362182), wk = 0.0024510 k( 56) = ( 0.0000000 0.0000000 1.0554075), wk = 0.0024510 k( 57) = ( 0.0000000 0.0000000 1.0745967), wk = 0.0024510 k( 58) = ( 0.0000000 0.0000000 1.0937859), wk = 0.0024510 k( 59) = ( 0.0000000 0.0000000 1.1129751), wk = 0.0024510 k( 60) = ( 0.0000000 0.0000000 1.1321644), wk = 0.0024510 k( 61) = ( 0.0000000 0.0000000 1.1513536), wk = 0.0024510 k( 62) = ( 0.0000000 0.0000000 1.1705428), wk = 0.0024510 k( 63) = ( 0.0000000 0.0000000 1.1897320), wk = 0.0024510 k( 64) = ( 0.0000000 0.0000000 1.2089213), wk = 0.0024510 k( 65) = ( 0.0000000 0.0000000 1.2281105), wk = 0.0024510 k( 66) = ( 0.0000000 0.0000000 1.2472997), wk = 0.0024510 k( 67) = ( 0.0000000 0.0000000 1.2664890), wk = 0.0024510 k( 68) = ( 0.0000000 0.0000000 1.2856782), wk = 0.0024510 k( 69) = ( 0.0000000 0.0000000 1.3048674), wk = 0.0024510 k( 70) = ( 0.0000000 0.0000000 1.3048674), wk = 0.0024510 k( 71) = ( -0.0071707 0.0172852 1.3048674), wk = 0.0024510 k( 72) = ( -0.0143413 0.0345704 1.3048674), wk = 0.0024510 k( 73) = ( -0.0215120 0.0518555 1.3048674), wk = 0.0024510 k( 74) = ( -0.0286826 0.0691407 1.3048674), wk = 0.0024510 k( 75) = ( -0.0358533 0.0864259 1.3048674), wk = 0.0024510 k( 76) = ( -0.0430240 0.1037111 1.3048674), wk = 0.0024510 k( 77) = ( -0.0430240 0.1037111 1.3048674), wk = 0.0024510 k( 78) = ( -0.0482169 0.1162288 1.2913153), wk = 0.0024510 k( 79) = ( -0.0534098 0.1287466 1.2777632), wk = 0.0024510 k( 80) = ( -0.0586027 0.1412643 1.2642111), wk = 0.0024510 k( 81) = ( -0.0637956 0.1537820 1.2506589), wk = 0.0024510 k( 82) = ( -0.0689885 0.1662997 1.2371068), wk = 0.0024510 k( 83) = ( -0.0741814 0.1788175 1.2235547), wk = 0.0024510 k( 84) = ( -0.0793743 0.1913352 1.2100026), wk = 0.0024510 k( 85) = ( -0.0845672 0.2038529 1.1964505), wk = 0.0024510 k( 86) = ( -0.0897601 0.2163706 1.1828983), wk = 0.0024510 k( 87) = ( -0.0949530 0.2288884 1.1693462), wk = 0.0024510 k( 88) = ( -0.1001460 0.2414061 1.1557941), wk = 0.0024510 k( 89) = ( -0.1053389 0.2539238 1.1422420), wk = 0.0024510 k( 90) = ( -0.1105318 0.2664416 1.1286899), wk = 0.0024510 k( 91) = ( -0.1157247 0.2789593 1.1151378), wk = 0.0024510 k( 92) = ( -0.1209176 0.2914770 1.1015857), wk = 0.0024510 k( 93) = ( -0.1261105 0.3039948 1.0880335), wk = 0.0024510 k( 94) = ( -0.1313034 0.3165125 1.0744814), wk = 0.0024510 k( 95) = ( -0.1364963 0.3290302 1.0609293), wk = 0.0024510 k( 96) = ( -0.1416892 0.3415480 1.0473772), wk = 0.0024510 k( 97) = ( -0.1468821 0.3540657 1.0338251), wk = 0.0024510 k( 98) = ( -0.1520751 0.3665834 1.0202730), wk = 0.0024510 k( 99) = ( -0.1572680 0.3791011 1.0067208), wk = 0.0024510 k( 100) = ( -0.1624609 0.3916189 0.9931687), wk = 0.0024510 k( 101) = ( -0.1676538 0.4041366 0.9796166), wk = 0.0024510 k( 102) = ( -0.1728467 0.4166543 0.9660645), wk = 0.0024510 k( 103) = ( -0.1780396 0.4291721 0.9525124), wk = 0.0024510 k( 104) = ( -0.1832325 0.4416898 0.9389602), wk = 0.0024510 k( 105) = ( -0.1884254 0.4542075 0.9254081), wk = 0.0024510 k( 106) = ( -0.1936183 0.4667253 0.9118560), wk = 0.0024510 k( 107) = ( -0.1988112 0.4792430 0.8983039), wk = 0.0024510 k( 108) = ( -0.2040042 0.4917607 0.8847518), wk = 0.0024510 k( 109) = ( -0.2091971 0.5042784 0.8711997), wk = 0.0024510 k( 110) = ( -0.2143900 0.5167962 0.8576475), wk = 0.0024510 k( 111) = ( -0.2195829 0.5293139 0.8440954), wk = 0.0024510 k( 112) = ( -0.2247758 0.5418316 0.8305433), wk = 0.0024510 k( 113) = ( -0.2299687 0.5543494 0.8169912), wk = 0.0024510 k( 114) = ( -0.2351616 0.5668671 0.8034391), wk = 0.0024510 k( 115) = ( -0.2403545 0.5793848 0.7898870), wk = 0.0024510 k( 116) = ( -0.2455474 0.5919026 0.7763349), wk = 0.0024510 k( 117) = ( -0.2507403 0.6044203 0.7627827), wk = 0.0024510 k( 118) = ( -0.2559333 0.6169380 0.7492306), wk = 0.0024510 k( 119) = ( -0.2611262 0.6294557 0.7356785), wk = 0.0024510 k( 120) = ( -0.2663191 0.6419735 0.7221264), wk = 0.0024510 k( 121) = ( -0.2715120 0.6544912 0.7085743), wk = 0.0024510 k( 122) = ( -0.2715120 0.6544912 0.7085743), wk = 0.0024510 k( 123) = ( -0.2662906 0.6419048 0.6949479), wk = 0.0024510 k( 124) = ( -0.2610692 0.6293185 0.6813214), wk = 0.0024510 k( 125) = ( -0.2558478 0.6167321 0.6676950), wk = 0.0024510 k( 126) = ( -0.2506264 0.6041457 0.6540685), wk = 0.0024510 k( 127) = ( -0.2454051 0.5915594 0.6404421), wk = 0.0024510 k( 128) = ( -0.2401837 0.5789730 0.6268157), wk = 0.0024510 k( 129) = ( -0.2349623 0.5663866 0.6131893), wk = 0.0024510 k( 130) = ( -0.2297409 0.5538003 0.5995629), wk = 0.0024510 k( 131) = ( -0.2245195 0.5412139 0.5859364), wk = 0.0024510 k( 132) = ( -0.2192981 0.5286275 0.5723100), wk = 0.0024510 k( 133) = ( -0.2140768 0.5160411 0.5586835), wk = 0.0024510 k( 134) = ( -0.2088554 0.5034548 0.5450571), wk = 0.0024510 k( 135) = ( -0.2036340 0.4908684 0.5314307), wk = 0.0024510 k( 136) = ( -0.1984126 0.4782820 0.5178043), wk = 0.0024510 k( 137) = ( -0.1931912 0.4656957 0.5041779), wk = 0.0024510 k( 138) = ( -0.1879698 0.4531093 0.4905514), wk = 0.0024510 k( 139) = ( -0.1827485 0.4405229 0.4769250), wk = 0.0024510 k( 140) = ( -0.1775271 0.4279365 0.4632986), wk = 0.0024510 k( 141) = ( -0.1723057 0.4153502 0.4496721), wk = 0.0024510 k( 142) = ( -0.1670843 0.4027638 0.4360457), wk = 0.0024510 k( 143) = ( -0.1618629 0.3901774 0.4224193), wk = 0.0024510 k( 144) = ( -0.1566415 0.3775911 0.4087929), wk = 0.0024510 k( 145) = ( -0.1514201 0.3650047 0.3951664), wk = 0.0024510 k( 146) = ( -0.1461988 0.3524183 0.3815400), wk = 0.0024510 k( 147) = ( -0.1409774 0.3398320 0.3679136), wk = 0.0024510 k( 148) = ( -0.1357560 0.3272456 0.3542871), wk = 0.0024510 k( 149) = ( -0.1305346 0.3146592 0.3406607), wk = 0.0024510 k( 150) = ( -0.1253132 0.3020729 0.3270343), wk = 0.0024510 k( 151) = ( -0.1200918 0.2894865 0.3134079), wk = 0.0024510 k( 152) = ( -0.1148704 0.2769001 0.2997814), wk = 0.0024510 k( 153) = ( -0.1096491 0.2643138 0.2861550), wk = 0.0024510 k( 154) = ( -0.1044277 0.2517274 0.2725286), wk = 0.0024510 k( 155) = ( -0.0992063 0.2391410 0.2589021), wk = 0.0024510 k( 156) = ( -0.0939849 0.2265547 0.2452757), wk = 0.0024510 k( 157) = ( -0.0887635 0.2139683 0.2316493), wk = 0.0024510 k( 158) = ( -0.0835421 0.2013819 0.2180229), wk = 0.0024510 k( 159) = ( -0.0783208 0.1887955 0.2043964), wk = 0.0024510 k( 160) = ( -0.0730994 0.1762092 0.1907700), wk = 0.0024510 k( 161) = ( -0.0678780 0.1636228 0.1771436), wk = 0.0024510 k( 162) = ( -0.0626566 0.1510364 0.1635171), wk = 0.0024510 k( 163) = ( -0.0574352 0.1384501 0.1498907), wk = 0.0024510 k( 164) = ( -0.0522138 0.1258637 0.1362643), wk = 0.0024510 k( 165) = ( -0.0469925 0.1132773 0.1226379), wk = 0.0024510 k( 166) = ( -0.0417711 0.1006909 0.1090114), wk = 0.0024510 k( 167) = ( -0.0365497 0.0881046 0.0953850), wk = 0.0024510 k( 168) = ( -0.0313283 0.0755182 0.0817586), wk = 0.0024510 k( 169) = ( -0.0261069 0.0629318 0.0681321), wk = 0.0024510 k( 170) = ( -0.0208855 0.0503455 0.0545057), wk = 0.0024510 k( 171) = ( -0.0156642 0.0377591 0.0408793), wk = 0.0024510 k( 172) = ( -0.0104428 0.0251727 0.0272529), wk = 0.0024510 k( 173) = ( -0.0052214 0.0125864 0.0136264), wk = 0.0024510 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 176) = ( 0.0178571 0.0074079 -0.0000000), wk = 0.0024510 k( 177) = ( 0.0357143 0.0148159 -0.0000000), wk = 0.0024510 k( 178) = ( 0.0535714 0.0222238 -0.0000000), wk = 0.0024510 k( 179) = ( 0.0714286 0.0296317 -0.0000000), wk = 0.0024510 k( 180) = ( 0.0892857 0.0370397 -0.0000000), wk = 0.0024510 k( 181) = ( 0.1071429 0.0444476 -0.0000000), wk = 0.0024510 k( 182) = ( 0.1250000 0.0518555 -0.0000000), wk = 0.0024510 k( 183) = ( 0.1428571 0.0592635 -0.0000000), wk = 0.0024510 k( 184) = ( 0.1607143 0.0666714 -0.0000000), wk = 0.0024510 k( 185) = ( 0.1785714 0.0740793 -0.0000000), wk = 0.0024510 k( 186) = ( 0.1964286 0.0814873 -0.0000000), wk = 0.0024510 k( 187) = ( 0.2142857 0.0888952 -0.0000000), wk = 0.0024510 k( 188) = ( 0.2321429 0.0963032 -0.0000000), wk = 0.0024510 k( 189) = ( 0.2500000 0.1037111 -0.0000000), wk = 0.0024510 k( 190) = ( 0.2678571 0.1111190 -0.0000000), wk = 0.0024510 k( 191) = ( 0.2857143 0.1185270 -0.0000000), wk = 0.0024510 k( 192) = ( 0.3035714 0.1259349 -0.0000000), wk = 0.0024510 k( 193) = ( 0.3214286 0.1333428 -0.0000000), wk = 0.0024510 k( 194) = ( 0.3392857 0.1407508 -0.0000000), wk = 0.0024510 k( 195) = ( 0.3571429 0.1481587 -0.0000000), wk = 0.0024510 k( 196) = ( 0.3750000 0.1555666 -0.0000000), wk = 0.0024510 k( 197) = ( 0.3928571 0.1629746 -0.0000000), wk = 0.0024510 k( 198) = ( 0.4107143 0.1703825 -0.0000000), wk = 0.0024510 k( 199) = ( 0.4285714 0.1777904 -0.0000000), wk = 0.0024510 k( 200) = ( 0.4464286 0.1851984 -0.0000000), wk = 0.0024510 k( 201) = ( 0.4642857 0.1926063 -0.0000000), wk = 0.0024510 k( 202) = ( 0.4821429 0.2000142 -0.0000000), wk = 0.0024510 k( 203) = ( 0.5000000 0.2074222 -0.0000000), wk = 0.0024510 k( 204) = ( 0.5000000 0.2074222 -0.0000000), wk = 0.0024510 k( 205) = ( 0.4948071 0.2199399 0.0135521), wk = 0.0024510 k( 206) = ( 0.4896142 0.2324576 0.0271042), wk = 0.0024510 k( 207) = ( 0.4844213 0.2449754 0.0406564), wk = 0.0024510 k( 208) = ( 0.4792284 0.2574931 0.0542085), wk = 0.0024510 k( 209) = ( 0.4740355 0.2700108 0.0677606), wk = 0.0024510 k( 210) = ( 0.4688425 0.2825286 0.0813127), wk = 0.0024510 k( 211) = ( 0.4636496 0.2950463 0.0948648), wk = 0.0024510 k( 212) = ( 0.4584567 0.3075640 0.1084169), wk = 0.0024510 k( 213) = ( 0.4532638 0.3200818 0.1219691), wk = 0.0024510 k( 214) = ( 0.4480709 0.3325995 0.1355212), wk = 0.0024510 k( 215) = ( 0.4428780 0.3451172 0.1490733), wk = 0.0024510 k( 216) = ( 0.4376851 0.3576349 0.1626254), wk = 0.0024510 k( 217) = ( 0.4324922 0.3701527 0.1761775), wk = 0.0024510 k( 218) = ( 0.4272993 0.3826704 0.1897296), wk = 0.0024510 k( 219) = ( 0.4221064 0.3951881 0.2032817), wk = 0.0024510 k( 220) = ( 0.4169135 0.4077058 0.2168339), wk = 0.0024510 k( 221) = ( 0.4117205 0.4202236 0.2303860), wk = 0.0024510 k( 222) = ( 0.4065276 0.4327413 0.2439381), wk = 0.0024510 k( 223) = ( 0.4013347 0.4452590 0.2574902), wk = 0.0024510 k( 224) = ( 0.3961418 0.4577768 0.2710423), wk = 0.0024510 k( 225) = ( 0.3909489 0.4702945 0.2845945), wk = 0.0024510 k( 226) = ( 0.3857560 0.4828122 0.2981466), wk = 0.0024510 k( 227) = ( 0.3805631 0.4953300 0.3116987), wk = 0.0024510 k( 228) = ( 0.3753702 0.5078477 0.3252508), wk = 0.0024510 k( 229) = ( 0.3701773 0.5203654 0.3388029), wk = 0.0024510 k( 230) = ( 0.3649844 0.5328832 0.3523550), wk = 0.0024510 k( 231) = ( 0.3597914 0.5454009 0.3659072), wk = 0.0024510 k( 232) = ( 0.3545985 0.5579186 0.3794593), wk = 0.0024510 k( 233) = ( 0.3494056 0.5704364 0.3930114), wk = 0.0024510 k( 234) = ( 0.3442127 0.5829541 0.4065635), wk = 0.0024510 k( 235) = ( 0.3390198 0.5954718 0.4201156), wk = 0.0024510 k( 236) = ( 0.3338269 0.6079895 0.4336678), wk = 0.0024510 k( 237) = ( 0.3286340 0.6205073 0.4472199), wk = 0.0024510 k( 238) = ( 0.3234411 0.6330250 0.4607720), wk = 0.0024510 k( 239) = ( 0.3182482 0.6455427 0.4743241), wk = 0.0024510 k( 240) = ( 0.3130553 0.6580604 0.4878762), wk = 0.0024510 k( 241) = ( 0.3078624 0.6705782 0.5014283), wk = 0.0024510 k( 242) = ( 0.3026694 0.6830959 0.5149804), wk = 0.0024510 k( 243) = ( 0.2974765 0.6956136 0.5285326), wk = 0.0024510 k( 244) = ( 0.2922836 0.7081314 0.5420847), wk = 0.0024510 k( 245) = ( 0.2870907 0.7206491 0.5556368), wk = 0.0024510 k( 246) = ( 0.2818978 0.7331668 0.5691889), wk = 0.0024510 k( 247) = ( 0.2767049 0.7456846 0.5827410), wk = 0.0024510 k( 248) = ( 0.2715120 0.7582023 0.5962931), wk = 0.0024510 k( 249) = ( 0.2715120 0.7582023 0.5962931), wk = 0.0024510 k( 250) = ( 0.2534112 0.7547453 0.6000359), wk = 0.0024510 k( 251) = ( 0.2353104 0.7512882 0.6037786), wk = 0.0024510 k( 252) = ( 0.2172096 0.7478312 0.6075213), wk = 0.0024510 k( 253) = ( 0.1991088 0.7443742 0.6112640), wk = 0.0024510 k( 254) = ( 0.1810080 0.7409171 0.6150067), wk = 0.0024510 k( 255) = ( 0.1629072 0.7374601 0.6187494), wk = 0.0024510 k( 256) = ( 0.1448064 0.7340030 0.6224921), wk = 0.0024510 k( 257) = ( 0.1267056 0.7305460 0.6262348), wk = 0.0024510 k( 258) = ( 0.1086048 0.7270890 0.6299775), wk = 0.0024510 k( 259) = ( 0.0905040 0.7236319 0.6337202), wk = 0.0024510 k( 260) = ( 0.0724032 0.7201749 0.6374629), wk = 0.0024510 k( 261) = ( 0.0543024 0.7167178 0.6412056), wk = 0.0024510 k( 262) = ( 0.0362016 0.7132608 0.6449483), wk = 0.0024510 k( 263) = ( 0.0181008 0.7098038 0.6486910), wk = 0.0024510 k( 264) = ( 0.0000000 0.7063467 0.6524337), wk = 0.0024510 k( 265) = ( 0.0000000 0.7063467 0.6524337), wk = 0.0024510 k( 266) = ( 0.0052083 0.6937918 0.6660261), wk = 0.0024510 k( 267) = ( 0.0104167 0.6812369 0.6796185), wk = 0.0024510 k( 268) = ( 0.0156250 0.6686820 0.6932108), wk = 0.0024510 k( 269) = ( 0.0208333 0.6561271 0.7068032), wk = 0.0024510 k( 270) = ( 0.0260417 0.6435722 0.7203956), wk = 0.0024510 k( 271) = ( 0.0312500 0.6310173 0.7339879), wk = 0.0024510 k( 272) = ( 0.0364583 0.6184624 0.7475803), wk = 0.0024510 k( 273) = ( 0.0416667 0.6059075 0.7611727), wk = 0.0024510 k( 274) = ( 0.0468750 0.5933526 0.7747650), wk = 0.0024510 k( 275) = ( 0.0520833 0.5807977 0.7883574), wk = 0.0024510 k( 276) = ( 0.0572917 0.5682427 0.8019498), wk = 0.0024510 k( 277) = ( 0.0625000 0.5556878 0.8155421), wk = 0.0024510 k( 278) = ( 0.0677083 0.5431329 0.8291345), wk = 0.0024510 k( 279) = ( 0.0729167 0.5305780 0.8427269), wk = 0.0024510 k( 280) = ( 0.0781250 0.5180231 0.8563192), wk = 0.0024510 k( 281) = ( 0.0833333 0.5054682 0.8699116), wk = 0.0024510 k( 282) = ( 0.0885417 0.4929133 0.8835040), wk = 0.0024510 k( 283) = ( 0.0937500 0.4803584 0.8970963), wk = 0.0024510 k( 284) = ( 0.0989583 0.4678035 0.9106887), wk = 0.0024510 k( 285) = ( 0.1041667 0.4552485 0.9242811), wk = 0.0024510 k( 286) = ( 0.1093750 0.4426936 0.9378735), wk = 0.0024510 k( 287) = ( 0.1145833 0.4301387 0.9514658), wk = 0.0024510 k( 288) = ( 0.1197917 0.4175838 0.9650582), wk = 0.0024510 k( 289) = ( 0.1250000 0.4050289 0.9786506), wk = 0.0024510 k( 290) = ( 0.1302083 0.3924740 0.9922429), wk = 0.0024510 k( 291) = ( 0.1354167 0.3799191 1.0058353), wk = 0.0024510 k( 292) = ( 0.1406250 0.3673642 1.0194277), wk = 0.0024510 k( 293) = ( 0.1458333 0.3548093 1.0330200), wk = 0.0024510 k( 294) = ( 0.1510417 0.3422544 1.0466124), wk = 0.0024510 k( 295) = ( 0.1562500 0.3296995 1.0602048), wk = 0.0024510 k( 296) = ( 0.1614583 0.3171446 1.0737971), wk = 0.0024510 k( 297) = ( 0.1666667 0.3045896 1.0873895), wk = 0.0024510 k( 298) = ( 0.1718750 0.2920347 1.1009819), wk = 0.0024510 k( 299) = ( 0.1770833 0.2794798 1.1145742), wk = 0.0024510 k( 300) = ( 0.1822917 0.2669249 1.1281666), wk = 0.0024510 k( 301) = ( 0.1875000 0.2543700 1.1417590), wk = 0.0024510 k( 302) = ( 0.1927083 0.2418151 1.1553513), wk = 0.0024510 k( 303) = ( 0.1979167 0.2292602 1.1689437), wk = 0.0024510 k( 304) = ( 0.2031250 0.2167053 1.1825361), wk = 0.0024510 k( 305) = ( 0.2083333 0.2041504 1.1961285), wk = 0.0024510 k( 306) = ( 0.2135417 0.1915954 1.2097208), wk = 0.0024510 k( 307) = ( 0.2187500 0.1790405 1.2233132), wk = 0.0024510 k( 308) = ( 0.2239583 0.1664856 1.2369056), wk = 0.0024510 k( 309) = ( 0.2291667 0.1539307 1.2504979), wk = 0.0024510 k( 310) = ( 0.2343750 0.1413758 1.2640903), wk = 0.0024510 k( 311) = ( 0.2395833 0.1288209 1.2776827), wk = 0.0024510 k( 312) = ( 0.2447917 0.1162660 1.2912751), wk = 0.0024510 k( 313) = ( 0.2500000 0.1037111 1.3048674), wk = 0.0024510 k( 314) = ( 0.2500000 0.1037111 1.3048674), wk = 0.0024510 k( 315) = ( 0.2656250 0.1101930 1.2978498), wk = 0.0024510 k( 316) = ( 0.2812500 0.1166750 1.2908323), wk = 0.0024510 k( 317) = ( 0.2968750 0.1231569 1.2838147), wk = 0.0024510 k( 318) = ( 0.3125000 0.1296389 1.2767971), wk = 0.0024510 k( 319) = ( 0.3281250 0.1361208 1.2697796), wk = 0.0024510 k( 320) = ( 0.3437500 0.1426027 1.2627620), wk = 0.0024510 k( 321) = ( 0.3593750 0.1490847 1.2557444), wk = 0.0024510 k( 322) = ( 0.3750000 0.1555666 1.2487268), wk = 0.0024510 k( 323) = ( 0.3906250 0.1620486 1.2417093), wk = 0.0024510 k( 324) = ( 0.4062500 0.1685305 1.2346917), wk = 0.0024510 k( 325) = ( 0.4218750 0.1750125 1.2276741), wk = 0.0024510 k( 326) = ( 0.4375000 0.1814944 1.2206566), wk = 0.0024510 k( 327) = ( 0.4531250 0.1879763 1.2136390), wk = 0.0024510 k( 328) = ( 0.4687500 0.1944583 1.2066214), wk = 0.0024510 k( 329) = ( 0.4843750 0.2009402 1.1996039), wk = 0.0024510 k( 330) = ( 0.5000000 0.2074222 1.1925863), wk = 0.0024510 k( 331) = ( 0.5000000 0.2074222 1.1925863), wk = 0.0024510 k( 332) = ( 0.5000000 0.2074222 1.1733510), wk = 0.0024510 k( 333) = ( 0.5000000 0.2074222 1.1541158), wk = 0.0024510 k( 334) = ( 0.5000000 0.2074222 1.1348805), wk = 0.0024510 k( 335) = ( 0.5000000 0.2074222 1.1156452), wk = 0.0024510 k( 336) = ( 0.5000000 0.2074222 1.0964100), wk = 0.0024510 k( 337) = ( 0.5000000 0.2074222 1.0771747), wk = 0.0024510 k( 338) = ( 0.5000000 0.2074222 1.0579394), wk = 0.0024510 k( 339) = ( 0.5000000 0.2074222 1.0387042), wk = 0.0024510 k( 340) = ( 0.5000000 0.2074222 1.0194689), wk = 0.0024510 k( 341) = ( 0.5000000 0.2074222 1.0002337), wk = 0.0024510 k( 342) = ( 0.5000000 0.2074222 0.9809984), wk = 0.0024510 k( 343) = ( 0.5000000 0.2074222 0.9617631), wk = 0.0024510 k( 344) = ( 0.5000000 0.2074222 0.9425279), wk = 0.0024510 k( 345) = ( 0.5000000 0.2074222 0.9232926), wk = 0.0024510 k( 346) = ( 0.5000000 0.2074222 0.9040573), wk = 0.0024510 k( 347) = ( 0.5000000 0.2074222 0.8848221), wk = 0.0024510 k( 348) = ( 0.5000000 0.2074222 0.8655868), wk = 0.0024510 k( 349) = ( 0.5000000 0.2074222 0.8463516), wk = 0.0024510 k( 350) = ( 0.5000000 0.2074222 0.8271163), wk = 0.0024510 k( 351) = ( 0.5000000 0.2074222 0.8078810), wk = 0.0024510 k( 352) = ( 0.5000000 0.2074222 0.7886458), wk = 0.0024510 k( 353) = ( 0.5000000 0.2074222 0.7694105), wk = 0.0024510 k( 354) = ( 0.5000000 0.2074222 0.7501752), wk = 0.0024510 k( 355) = ( 0.5000000 0.2074222 0.7309400), wk = 0.0024510 k( 356) = ( 0.5000000 0.2074222 0.7117047), wk = 0.0024510 k( 357) = ( 0.5000000 0.2074222 0.6924695), wk = 0.0024510 k( 358) = ( 0.5000000 0.2074222 0.6732342), wk = 0.0024510 k( 359) = ( 0.5000000 0.2074222 0.6539989), wk = 0.0024510 k( 360) = ( 0.5000000 0.2074222 0.6347637), wk = 0.0024510 k( 361) = ( 0.5000000 0.2074222 0.6155284), wk = 0.0024510 k( 362) = ( 0.5000000 0.2074222 0.5962931), wk = 0.0024510 k( 363) = ( 0.5000000 0.2074222 0.5770579), wk = 0.0024510 k( 364) = ( 0.5000000 0.2074222 0.5578226), wk = 0.0024510 k( 365) = ( 0.5000000 0.2074222 0.5385874), wk = 0.0024510 k( 366) = ( 0.5000000 0.2074222 0.5193521), wk = 0.0024510 k( 367) = ( 0.5000000 0.2074222 0.5001168), wk = 0.0024510 k( 368) = ( 0.5000000 0.2074222 0.4808816), wk = 0.0024510 k( 369) = ( 0.5000000 0.2074222 0.4616463), wk = 0.0024510 k( 370) = ( 0.5000000 0.2074222 0.4424110), wk = 0.0024510 k( 371) = ( 0.5000000 0.2074222 0.4231758), wk = 0.0024510 k( 372) = ( 0.5000000 0.2074222 0.4039405), wk = 0.0024510 k( 373) = ( 0.5000000 0.2074222 0.3847053), wk = 0.0024510 k( 374) = ( 0.5000000 0.2074222 0.3654700), wk = 0.0024510 k( 375) = ( 0.5000000 0.2074222 0.3462347), wk = 0.0024510 k( 376) = ( 0.5000000 0.2074222 0.3269995), wk = 0.0024510 k( 377) = ( 0.5000000 0.2074222 0.3077642), wk = 0.0024510 k( 378) = ( 0.5000000 0.2074222 0.2885289), wk = 0.0024510 k( 379) = ( 0.5000000 0.2074222 0.2692937), wk = 0.0024510 k( 380) = ( 0.5000000 0.2074222 0.2500584), wk = 0.0024510 k( 381) = ( 0.5000000 0.2074222 0.2308232), wk = 0.0024510 k( 382) = ( 0.5000000 0.2074222 0.2115879), wk = 0.0024510 k( 383) = ( 0.5000000 0.2074222 0.1923526), wk = 0.0024510 k( 384) = ( 0.5000000 0.2074222 0.1731174), wk = 0.0024510 k( 385) = ( 0.5000000 0.2074222 0.1538821), wk = 0.0024510 k( 386) = ( 0.5000000 0.2074222 0.1346468), wk = 0.0024510 k( 387) = ( 0.5000000 0.2074222 0.1154116), wk = 0.0024510 k( 388) = ( 0.5000000 0.2074222 0.0961763), wk = 0.0024510 k( 389) = ( 0.5000000 0.2074222 0.0769411), wk = 0.0024510 k( 390) = ( 0.5000000 0.2074222 0.0577058), wk = 0.0024510 k( 391) = ( 0.5000000 0.2074222 0.0384705), wk = 0.0024510 k( 392) = ( 0.5000000 0.2074222 0.0192353), wk = 0.0024510 k( 393) = ( 0.5000000 0.2074222 -0.0000000), wk = 0.0024510 k( 394) = ( 0.0000000 0.0000000 1.3048674), wk = 0.0024510 k( 395) = ( 0.0178571 0.0074079 1.3048674), wk = 0.0024510 k( 396) = ( 0.0357143 0.0148159 1.3048674), wk = 0.0024510 k( 397) = ( 0.0535714 0.0222238 1.3048674), wk = 0.0024510 k( 398) = ( 0.0714286 0.0296317 1.3048674), wk = 0.0024510 k( 399) = ( 0.0892857 0.0370397 1.3048674), wk = 0.0024510 k( 400) = ( 0.1071429 0.0444476 1.3048674), wk = 0.0024510 k( 401) = ( 0.1250000 0.0518555 1.3048674), wk = 0.0024510 k( 402) = ( 0.1428571 0.0592635 1.3048674), wk = 0.0024510 k( 403) = ( 0.1607143 0.0666714 1.3048674), wk = 0.0024510 k( 404) = ( 0.1785714 0.0740793 1.3048674), wk = 0.0024510 k( 405) = ( 0.1964286 0.0814873 1.3048674), wk = 0.0024510 k( 406) = ( 0.2142857 0.0888952 1.3048674), wk = 0.0024510 k( 407) = ( 0.2321429 0.0963032 1.3048674), wk = 0.0024510 k( 408) = ( 0.2500000 0.1037111 1.3048674), wk = 0.0024510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0000000 0.0000000 0.0073529), wk = 0.0024510 k( 3) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0024510 k( 4) = ( 0.0000000 0.0000000 0.0220588), wk = 0.0024510 k( 5) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0024510 k( 6) = ( 0.0000000 0.0000000 0.0367647), wk = 0.0024510 k( 7) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0024510 k( 8) = ( 0.0000000 0.0000000 0.0514706), wk = 0.0024510 k( 9) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0024510 k( 10) = ( 0.0000000 0.0000000 0.0661765), wk = 0.0024510 k( 11) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0024510 k( 12) = ( 0.0000000 0.0000000 0.0808824), wk = 0.0024510 k( 13) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0024510 k( 14) = ( 0.0000000 0.0000000 0.0955882), wk = 0.0024510 k( 15) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0024510 k( 16) = ( 0.0000000 0.0000000 0.1102941), wk = 0.0024510 k( 17) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0024510 k( 18) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024510 k( 19) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0024510 k( 20) = ( 0.0000000 0.0000000 0.1397059), wk = 0.0024510 k( 21) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0024510 k( 22) = ( 0.0000000 0.0000000 0.1544118), wk = 0.0024510 k( 23) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0024510 k( 24) = ( 0.0000000 0.0000000 0.1691177), wk = 0.0024510 k( 25) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0024510 k( 26) = ( 0.0000000 0.0000000 0.1838235), wk = 0.0024510 k( 27) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0024510 k( 28) = ( 0.0000000 0.0000000 0.1985294), wk = 0.0024510 k( 29) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0024510 k( 30) = ( 0.0000000 0.0000000 0.2132353), wk = 0.0024510 k( 31) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0024510 k( 32) = ( 0.0000000 0.0000000 0.2279412), wk = 0.0024510 k( 33) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0024510 k( 34) = ( 0.0000000 0.0000000 0.2426471), wk = 0.0024510 k( 35) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024510 k( 36) = ( 0.0000000 0.0000000 0.2573529), wk = 0.0024510 k( 37) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0024510 k( 38) = ( 0.0000000 0.0000000 0.2720588), wk = 0.0024510 k( 39) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0024510 k( 40) = ( 0.0000000 0.0000000 0.2867647), wk = 0.0024510 k( 41) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0024510 k( 42) = ( 0.0000000 0.0000000 0.3014706), wk = 0.0024510 k( 43) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0024510 k( 44) = ( 0.0000000 0.0000000 0.3161765), wk = 0.0024510 k( 45) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0024510 k( 46) = ( 0.0000000 0.0000000 0.3308823), wk = 0.0024510 k( 47) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0024510 k( 48) = ( 0.0000000 0.0000000 0.3455882), wk = 0.0024510 k( 49) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0024510 k( 50) = ( 0.0000000 0.0000000 0.3602941), wk = 0.0024510 k( 51) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0024510 k( 52) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024510 k( 53) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0024510 k( 54) = ( 0.0000000 0.0000000 0.3897059), wk = 0.0024510 k( 55) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0024510 k( 56) = ( 0.0000000 0.0000000 0.4044118), wk = 0.0024510 k( 57) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0024510 k( 58) = ( 0.0000000 0.0000000 0.4191177), wk = 0.0024510 k( 59) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0024510 k( 60) = ( 0.0000000 0.0000000 0.4338235), wk = 0.0024510 k( 61) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0024510 k( 62) = ( 0.0000000 0.0000000 0.4485294), wk = 0.0024510 k( 63) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0024510 k( 64) = ( 0.0000000 0.0000000 0.4632353), wk = 0.0024510 k( 65) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0024510 k( 66) = ( 0.0000000 0.0000000 0.4779412), wk = 0.0024510 k( 67) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0024510 k( 68) = ( 0.0000000 0.0000000 0.4926471), wk = 0.0024510 k( 69) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 70) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 71) = ( -0.0071707 0.0071707 0.5000000), wk = 0.0024510 k( 72) = ( -0.0143413 0.0143413 0.5000000), wk = 0.0024510 k( 73) = ( -0.0215120 0.0215120 0.5000000), wk = 0.0024510 k( 74) = ( -0.0286826 0.0286826 0.5000000), wk = 0.0024510 k( 75) = ( -0.0358533 0.0358533 0.5000000), wk = 0.0024510 k( 76) = ( -0.0430240 0.0430240 0.5000000), wk = 0.0024510 k( 77) = ( -0.0430240 0.0430240 0.5000000), wk = 0.0024510 k( 78) = ( -0.0482169 0.0482169 0.4948071), wk = 0.0024510 k( 79) = ( -0.0534098 0.0534098 0.4896142), wk = 0.0024510 k( 80) = ( -0.0586027 0.0586027 0.4844213), wk = 0.0024510 k( 81) = ( -0.0637956 0.0637956 0.4792284), wk = 0.0024510 k( 82) = ( -0.0689885 0.0689885 0.4740355), wk = 0.0024510 k( 83) = ( -0.0741814 0.0741814 0.4688425), wk = 0.0024510 k( 84) = ( -0.0793743 0.0793743 0.4636496), wk = 0.0024510 k( 85) = ( -0.0845672 0.0845672 0.4584567), wk = 0.0024510 k( 86) = ( -0.0897601 0.0897601 0.4532638), wk = 0.0024510 k( 87) = ( -0.0949530 0.0949530 0.4480709), wk = 0.0024510 k( 88) = ( -0.1001460 0.1001460 0.4428780), wk = 0.0024510 k( 89) = ( -0.1053389 0.1053389 0.4376851), wk = 0.0024510 k( 90) = ( -0.1105318 0.1105318 0.4324922), wk = 0.0024510 k( 91) = ( -0.1157247 0.1157247 0.4272993), wk = 0.0024510 k( 92) = ( -0.1209176 0.1209176 0.4221064), wk = 0.0024510 k( 93) = ( -0.1261105 0.1261105 0.4169135), wk = 0.0024510 k( 94) = ( -0.1313034 0.1313034 0.4117205), wk = 0.0024510 k( 95) = ( -0.1364963 0.1364963 0.4065276), wk = 0.0024510 k( 96) = ( -0.1416892 0.1416892 0.4013347), wk = 0.0024510 k( 97) = ( -0.1468821 0.1468821 0.3961418), wk = 0.0024510 k( 98) = ( -0.1520751 0.1520751 0.3909489), wk = 0.0024510 k( 99) = ( -0.1572680 0.1572680 0.3857560), wk = 0.0024510 k( 100) = ( -0.1624609 0.1624609 0.3805631), wk = 0.0024510 k( 101) = ( -0.1676538 0.1676538 0.3753702), wk = 0.0024510 k( 102) = ( -0.1728467 0.1728467 0.3701773), wk = 0.0024510 k( 103) = ( -0.1780396 0.1780396 0.3649844), wk = 0.0024510 k( 104) = ( -0.1832325 0.1832325 0.3597914), wk = 0.0024510 k( 105) = ( -0.1884254 0.1884254 0.3545985), wk = 0.0024510 k( 106) = ( -0.1936183 0.1936183 0.3494056), wk = 0.0024510 k( 107) = ( -0.1988112 0.1988112 0.3442127), wk = 0.0024510 k( 108) = ( -0.2040042 0.2040042 0.3390198), wk = 0.0024510 k( 109) = ( -0.2091971 0.2091971 0.3338269), wk = 0.0024510 k( 110) = ( -0.2143900 0.2143900 0.3286340), wk = 0.0024510 k( 111) = ( -0.2195829 0.2195829 0.3234411), wk = 0.0024510 k( 112) = ( -0.2247758 0.2247758 0.3182482), wk = 0.0024510 k( 113) = ( -0.2299687 0.2299687 0.3130553), wk = 0.0024510 k( 114) = ( -0.2351616 0.2351616 0.3078624), wk = 0.0024510 k( 115) = ( -0.2403545 0.2403545 0.3026694), wk = 0.0024510 k( 116) = ( -0.2455474 0.2455474 0.2974765), wk = 0.0024510 k( 117) = ( -0.2507403 0.2507403 0.2922836), wk = 0.0024510 k( 118) = ( -0.2559333 0.2559333 0.2870907), wk = 0.0024510 k( 119) = ( -0.2611262 0.2611262 0.2818978), wk = 0.0024510 k( 120) = ( -0.2663191 0.2663191 0.2767049), wk = 0.0024510 k( 121) = ( -0.2715120 0.2715120 0.2715120), wk = 0.0024510 k( 122) = ( -0.2715120 0.2715120 0.2715120), wk = 0.0024510 k( 123) = ( -0.2662906 0.2662906 0.2662906), wk = 0.0024510 k( 124) = ( -0.2610692 0.2610692 0.2610692), wk = 0.0024510 k( 125) = ( -0.2558478 0.2558478 0.2558478), wk = 0.0024510 k( 126) = ( -0.2506264 0.2506264 0.2506264), wk = 0.0024510 k( 127) = ( -0.2454051 0.2454051 0.2454051), wk = 0.0024510 k( 128) = ( -0.2401837 0.2401837 0.2401837), wk = 0.0024510 k( 129) = ( -0.2349623 0.2349623 0.2349623), wk = 0.0024510 k( 130) = ( -0.2297409 0.2297409 0.2297409), wk = 0.0024510 k( 131) = ( -0.2245195 0.2245195 0.2245195), wk = 0.0024510 k( 132) = ( -0.2192981 0.2192981 0.2192981), wk = 0.0024510 k( 133) = ( -0.2140768 0.2140768 0.2140767), wk = 0.0024510 k( 134) = ( -0.2088554 0.2088554 0.2088554), wk = 0.0024510 k( 135) = ( -0.2036340 0.2036340 0.2036340), wk = 0.0024510 k( 136) = ( -0.1984126 0.1984126 0.1984126), wk = 0.0024510 k( 137) = ( -0.1931912 0.1931912 0.1931912), wk = 0.0024510 k( 138) = ( -0.1879698 0.1879698 0.1879698), wk = 0.0024510 k( 139) = ( -0.1827485 0.1827485 0.1827485), wk = 0.0024510 k( 140) = ( -0.1775271 0.1775271 0.1775271), wk = 0.0024510 k( 141) = ( -0.1723057 0.1723057 0.1723057), wk = 0.0024510 k( 142) = ( -0.1670843 0.1670843 0.1670843), wk = 0.0024510 k( 143) = ( -0.1618629 0.1618629 0.1618629), wk = 0.0024510 k( 144) = ( -0.1566415 0.1566415 0.1566415), wk = 0.0024510 k( 145) = ( -0.1514201 0.1514201 0.1514201), wk = 0.0024510 k( 146) = ( -0.1461988 0.1461988 0.1461988), wk = 0.0024510 k( 147) = ( -0.1409774 0.1409774 0.1409774), wk = 0.0024510 k( 148) = ( -0.1357560 0.1357560 0.1357560), wk = 0.0024510 k( 149) = ( -0.1305346 0.1305346 0.1305346), wk = 0.0024510 k( 150) = ( -0.1253132 0.1253132 0.1253132), wk = 0.0024510 k( 151) = ( -0.1200918 0.1200918 0.1200918), wk = 0.0024510 k( 152) = ( -0.1148704 0.1148704 0.1148704), wk = 0.0024510 k( 153) = ( -0.1096491 0.1096491 0.1096491), wk = 0.0024510 k( 154) = ( -0.1044277 0.1044277 0.1044277), wk = 0.0024510 k( 155) = ( -0.0992063 0.0992063 0.0992063), wk = 0.0024510 k( 156) = ( -0.0939849 0.0939849 0.0939849), wk = 0.0024510 k( 157) = ( -0.0887635 0.0887635 0.0887635), wk = 0.0024510 k( 158) = ( -0.0835421 0.0835421 0.0835421), wk = 0.0024510 k( 159) = ( -0.0783208 0.0783208 0.0783208), wk = 0.0024510 k( 160) = ( -0.0730994 0.0730994 0.0730994), wk = 0.0024510 k( 161) = ( -0.0678780 0.0678780 0.0678780), wk = 0.0024510 k( 162) = ( -0.0626566 0.0626566 0.0626566), wk = 0.0024510 k( 163) = ( -0.0574352 0.0574352 0.0574352), wk = 0.0024510 k( 164) = ( -0.0522138 0.0522138 0.0522138), wk = 0.0024510 k( 165) = ( -0.0469925 0.0469925 0.0469925), wk = 0.0024510 k( 166) = ( -0.0417711 0.0417711 0.0417711), wk = 0.0024510 k( 167) = ( -0.0365497 0.0365497 0.0365497), wk = 0.0024510 k( 168) = ( -0.0313283 0.0313283 0.0313283), wk = 0.0024510 k( 169) = ( -0.0261069 0.0261069 0.0261069), wk = 0.0024510 k( 170) = ( -0.0208855 0.0208855 0.0208855), wk = 0.0024510 k( 171) = ( -0.0156642 0.0156641 0.0156642), wk = 0.0024510 k( 172) = ( -0.0104428 0.0104428 0.0104428), wk = 0.0024510 k( 173) = ( -0.0052214 0.0052214 0.0052214), wk = 0.0024510 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 175) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 176) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0024510 k( 177) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0024510 k( 178) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0024510 k( 179) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0024510 k( 180) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0024510 k( 181) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0024510 k( 182) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0024510 k( 183) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0024510 k( 184) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0024510 k( 185) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0024510 k( 186) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0024510 k( 187) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0024510 k( 188) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0024510 k( 189) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024510 k( 190) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0024510 k( 191) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0024510 k( 192) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0024510 k( 193) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0024510 k( 194) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0024510 k( 195) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0024510 k( 196) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0024510 k( 197) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0024510 k( 198) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0024510 k( 199) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0024510 k( 200) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0024510 k( 201) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0024510 k( 202) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0024510 k( 203) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024510 k( 204) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024510 k( 205) = ( 0.4948071 0.5051929 -0.4948071), wk = 0.0024510 k( 206) = ( 0.4896142 0.5103858 -0.4896142), wk = 0.0024510 k( 207) = ( 0.4844213 0.5155787 -0.4844213), wk = 0.0024510 k( 208) = ( 0.4792284 0.5207716 -0.4792284), wk = 0.0024510 k( 209) = ( 0.4740355 0.5259645 -0.4740355), wk = 0.0024510 k( 210) = ( 0.4688425 0.5311575 -0.4688425), wk = 0.0024510 k( 211) = ( 0.4636496 0.5363504 -0.4636496), wk = 0.0024510 k( 212) = ( 0.4584567 0.5415433 -0.4584567), wk = 0.0024510 k( 213) = ( 0.4532638 0.5467362 -0.4532638), wk = 0.0024510 k( 214) = ( 0.4480709 0.5519291 -0.4480709), wk = 0.0024510 k( 215) = ( 0.4428780 0.5571220 -0.4428780), wk = 0.0024510 k( 216) = ( 0.4376851 0.5623149 -0.4376851), wk = 0.0024510 k( 217) = ( 0.4324922 0.5675078 -0.4324922), wk = 0.0024510 k( 218) = ( 0.4272993 0.5727007 -0.4272993), wk = 0.0024510 k( 219) = ( 0.4221064 0.5778936 -0.4221064), wk = 0.0024510 k( 220) = ( 0.4169135 0.5830865 -0.4169135), wk = 0.0024510 k( 221) = ( 0.4117205 0.5882795 -0.4117205), wk = 0.0024510 k( 222) = ( 0.4065276 0.5934724 -0.4065276), wk = 0.0024510 k( 223) = ( 0.4013347 0.5986653 -0.4013347), wk = 0.0024510 k( 224) = ( 0.3961418 0.6038582 -0.3961418), wk = 0.0024510 k( 225) = ( 0.3909489 0.6090511 -0.3909489), wk = 0.0024510 k( 226) = ( 0.3857560 0.6142440 -0.3857560), wk = 0.0024510 k( 227) = ( 0.3805631 0.6194369 -0.3805631), wk = 0.0024510 k( 228) = ( 0.3753702 0.6246298 -0.3753702), wk = 0.0024510 k( 229) = ( 0.3701773 0.6298227 -0.3701773), wk = 0.0024510 k( 230) = ( 0.3649844 0.6350157 -0.3649844), wk = 0.0024510 k( 231) = ( 0.3597914 0.6402086 -0.3597914), wk = 0.0024510 k( 232) = ( 0.3545985 0.6454015 -0.3545985), wk = 0.0024510 k( 233) = ( 0.3494056 0.6505944 -0.3494056), wk = 0.0024510 k( 234) = ( 0.3442127 0.6557873 -0.3442127), wk = 0.0024510 k( 235) = ( 0.3390198 0.6609802 -0.3390198), wk = 0.0024510 k( 236) = ( 0.3338269 0.6661731 -0.3338269), wk = 0.0024510 k( 237) = ( 0.3286340 0.6713660 -0.3286340), wk = 0.0024510 k( 238) = ( 0.3234411 0.6765589 -0.3234411), wk = 0.0024510 k( 239) = ( 0.3182482 0.6817518 -0.3182482), wk = 0.0024510 k( 240) = ( 0.3130553 0.6869447 -0.3130553), wk = 0.0024510 k( 241) = ( 0.3078624 0.6921377 -0.3078624), wk = 0.0024510 k( 242) = ( 0.3026694 0.6973306 -0.3026694), wk = 0.0024510 k( 243) = ( 0.2974765 0.7025235 -0.2974765), wk = 0.0024510 k( 244) = ( 0.2922836 0.7077164 -0.2922836), wk = 0.0024510 k( 245) = ( 0.2870907 0.7129093 -0.2870907), wk = 0.0024510 k( 246) = ( 0.2818978 0.7181022 -0.2818978), wk = 0.0024510 k( 247) = ( 0.2767049 0.7232951 -0.2767049), wk = 0.0024510 k( 248) = ( 0.2715120 0.7284880 -0.2715120), wk = 0.0024510 k( 249) = ( 0.2715120 0.7284880 -0.2715120), wk = 0.0024510 k( 250) = ( 0.2534112 0.7132555 -0.2534112), wk = 0.0024510 k( 251) = ( 0.2353104 0.6980230 -0.2353104), wk = 0.0024510 k( 252) = ( 0.2172096 0.6827904 -0.2172096), wk = 0.0024510 k( 253) = ( 0.1991088 0.6675579 -0.1991088), wk = 0.0024510 k( 254) = ( 0.1810080 0.6523254 -0.1810080), wk = 0.0024510 k( 255) = ( 0.1629072 0.6370928 -0.1629072), wk = 0.0024510 k( 256) = ( 0.1448064 0.6218603 -0.1448064), wk = 0.0024510 k( 257) = ( 0.1267056 0.6066277 -0.1267056), wk = 0.0024510 k( 258) = ( 0.1086048 0.5913952 -0.1086048), wk = 0.0024510 k( 259) = ( 0.0905040 0.5761627 -0.0905040), wk = 0.0024510 k( 260) = ( 0.0724032 0.5609301 -0.0724032), wk = 0.0024510 k( 261) = ( 0.0543024 0.5456976 -0.0543024), wk = 0.0024510 k( 262) = ( 0.0362016 0.5304651 -0.0362016), wk = 0.0024510 k( 263) = ( 0.0181008 0.5152325 -0.0181008), wk = 0.0024510 k( 264) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024510 k( 265) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024510 k( 266) = ( 0.0052083 0.4947917 0.0052083), wk = 0.0024510 k( 267) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0024510 k( 268) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0024510 k( 269) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0024510 k( 270) = ( 0.0260417 0.4739583 0.0260417), wk = 0.0024510 k( 271) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0024510 k( 272) = ( 0.0364583 0.4635417 0.0364583), wk = 0.0024510 k( 273) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0024510 k( 274) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0024510 k( 275) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0024510 k( 276) = ( 0.0572917 0.4427083 0.0572917), wk = 0.0024510 k( 277) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0024510 k( 278) = ( 0.0677083 0.4322917 0.0677083), wk = 0.0024510 k( 279) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0024510 k( 280) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0024510 k( 281) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024510 k( 282) = ( 0.0885417 0.4114583 0.0885417), wk = 0.0024510 k( 283) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0024510 k( 284) = ( 0.0989583 0.4010417 0.0989583), wk = 0.0024510 k( 285) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0024510 k( 286) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0024510 k( 287) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0024510 k( 288) = ( 0.1197917 0.3802083 0.1197917), wk = 0.0024510 k( 289) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024510 k( 290) = ( 0.1302083 0.3697917 0.1302083), wk = 0.0024510 k( 291) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0024510 k( 292) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0024510 k( 293) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0024510 k( 294) = ( 0.1510417 0.3489583 0.1510417), wk = 0.0024510 k( 295) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0024510 k( 296) = ( 0.1614583 0.3385417 0.1614583), wk = 0.0024510 k( 297) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024510 k( 298) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0024510 k( 299) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0024510 k( 300) = ( 0.1822917 0.3177083 0.1822917), wk = 0.0024510 k( 301) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0024510 k( 302) = ( 0.1927083 0.3072917 0.1927083), wk = 0.0024510 k( 303) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0024510 k( 304) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0024510 k( 305) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0024510 k( 306) = ( 0.2135417 0.2864583 0.2135417), wk = 0.0024510 k( 307) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0024510 k( 308) = ( 0.2239583 0.2760417 0.2239583), wk = 0.0024510 k( 309) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0024510 k( 310) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0024510 k( 311) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0024510 k( 312) = ( 0.2447917 0.2552083 0.2447917), wk = 0.0024510 k( 313) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024510 k( 314) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024510 k( 315) = ( 0.2656250 0.2656250 0.2316860), wk = 0.0024510 k( 316) = ( 0.2812500 0.2812500 0.2133720), wk = 0.0024510 k( 317) = ( 0.2968750 0.2968750 0.1950580), wk = 0.0024510 k( 318) = ( 0.3125000 0.3125000 0.1767440), wk = 0.0024510 k( 319) = ( 0.3281250 0.3281250 0.1584300), wk = 0.0024510 k( 320) = ( 0.3437500 0.3437500 0.1401160), wk = 0.0024510 k( 321) = ( 0.3593750 0.3593750 0.1218020), wk = 0.0024510 k( 322) = ( 0.3750000 0.3750000 0.1034880), wk = 0.0024510 k( 323) = ( 0.3906250 0.3906250 0.0851740), wk = 0.0024510 k( 324) = ( 0.4062500 0.4062500 0.0668600), wk = 0.0024510 k( 325) = ( 0.4218750 0.4218750 0.0485460), wk = 0.0024510 k( 326) = ( 0.4375000 0.4375000 0.0302320), wk = 0.0024510 k( 327) = ( 0.4531250 0.4531250 0.0119180), wk = 0.0024510 k( 328) = ( 0.4687500 0.4687500 -0.0063960), wk = 0.0024510 k( 329) = ( 0.4843750 0.4843750 -0.0247100), wk = 0.0024510 k( 330) = ( 0.5000000 0.5000000 -0.0430240), wk = 0.0024510 k( 331) = ( 0.5000000 0.5000000 -0.0430240), wk = 0.0024510 k( 332) = ( 0.5000000 0.5000000 -0.0503945), wk = 0.0024510 k( 333) = ( 0.5000000 0.5000000 -0.0577651), wk = 0.0024510 k( 334) = ( 0.5000000 0.5000000 -0.0651357), wk = 0.0024510 k( 335) = ( 0.5000000 0.5000000 -0.0725063), wk = 0.0024510 k( 336) = ( 0.5000000 0.5000000 -0.0798769), wk = 0.0024510 k( 337) = ( 0.5000000 0.5000000 -0.0872474), wk = 0.0024510 k( 338) = ( 0.5000000 0.5000000 -0.0946180), wk = 0.0024510 k( 339) = ( 0.5000000 0.5000000 -0.1019886), wk = 0.0024510 k( 340) = ( 0.5000000 0.5000000 -0.1093592), wk = 0.0024510 k( 341) = ( 0.5000000 0.5000000 -0.1167298), wk = 0.0024510 k( 342) = ( 0.5000000 0.5000000 -0.1241003), wk = 0.0024510 k( 343) = ( 0.5000000 0.5000000 -0.1314709), wk = 0.0024510 k( 344) = ( 0.5000000 0.5000000 -0.1388415), wk = 0.0024510 k( 345) = ( 0.5000000 0.5000000 -0.1462121), wk = 0.0024510 k( 346) = ( 0.5000000 0.5000000 -0.1535827), wk = 0.0024510 k( 347) = ( 0.5000000 0.5000000 -0.1609533), wk = 0.0024510 k( 348) = ( 0.5000000 0.5000000 -0.1683238), wk = 0.0024510 k( 349) = ( 0.5000000 0.5000000 -0.1756944), wk = 0.0024510 k( 350) = ( 0.5000000 0.5000000 -0.1830650), wk = 0.0024510 k( 351) = ( 0.5000000 0.5000000 -0.1904356), wk = 0.0024510 k( 352) = ( 0.5000000 0.5000000 -0.1978062), wk = 0.0024510 k( 353) = ( 0.5000000 0.5000000 -0.2051767), wk = 0.0024510 k( 354) = ( 0.5000000 0.5000000 -0.2125473), wk = 0.0024510 k( 355) = ( 0.5000000 0.5000000 -0.2199179), wk = 0.0024510 k( 356) = ( 0.5000000 0.5000000 -0.2272885), wk = 0.0024510 k( 357) = ( 0.5000000 0.5000000 -0.2346591), wk = 0.0024510 k( 358) = ( 0.5000000 0.5000000 -0.2420296), wk = 0.0024510 k( 359) = ( 0.5000000 0.5000000 -0.2494002), wk = 0.0024510 k( 360) = ( 0.5000000 0.5000000 -0.2567708), wk = 0.0024510 k( 361) = ( 0.5000000 0.5000000 -0.2641414), wk = 0.0024510 k( 362) = ( 0.5000000 0.5000000 -0.2715120), wk = 0.0024510 k( 363) = ( 0.5000000 0.5000000 -0.2788826), wk = 0.0024510 k( 364) = ( 0.5000000 0.5000000 -0.2862531), wk = 0.0024510 k( 365) = ( 0.5000000 0.5000000 -0.2936237), wk = 0.0024510 k( 366) = ( 0.5000000 0.5000000 -0.3009943), wk = 0.0024510 k( 367) = ( 0.5000000 0.5000000 -0.3083649), wk = 0.0024510 k( 368) = ( 0.5000000 0.5000000 -0.3157355), wk = 0.0024510 k( 369) = ( 0.5000000 0.5000000 -0.3231060), wk = 0.0024510 k( 370) = ( 0.5000000 0.5000000 -0.3304766), wk = 0.0024510 k( 371) = ( 0.5000000 0.5000000 -0.3378472), wk = 0.0024510 k( 372) = ( 0.5000000 0.5000000 -0.3452178), wk = 0.0024510 k( 373) = ( 0.5000000 0.5000000 -0.3525884), wk = 0.0024510 k( 374) = ( 0.5000000 0.5000000 -0.3599590), wk = 0.0024510 k( 375) = ( 0.5000000 0.5000000 -0.3673295), wk = 0.0024510 k( 376) = ( 0.5000000 0.5000000 -0.3747001), wk = 0.0024510 k( 377) = ( 0.5000000 0.5000000 -0.3820707), wk = 0.0024510 k( 378) = ( 0.5000000 0.5000000 -0.3894413), wk = 0.0024510 k( 379) = ( 0.5000000 0.5000000 -0.3968119), wk = 0.0024510 k( 380) = ( 0.5000000 0.5000000 -0.4041824), wk = 0.0024510 k( 381) = ( 0.5000000 0.5000000 -0.4115530), wk = 0.0024510 k( 382) = ( 0.5000000 0.5000000 -0.4189236), wk = 0.0024510 k( 383) = ( 0.5000000 0.5000000 -0.4262942), wk = 0.0024510 k( 384) = ( 0.5000000 0.5000000 -0.4336648), wk = 0.0024510 k( 385) = ( 0.5000000 0.5000000 -0.4410353), wk = 0.0024510 k( 386) = ( 0.5000000 0.5000000 -0.4484059), wk = 0.0024510 k( 387) = ( 0.5000000 0.5000000 -0.4557765), wk = 0.0024510 k( 388) = ( 0.5000000 0.5000000 -0.4631471), wk = 0.0024510 k( 389) = ( 0.5000000 0.5000000 -0.4705177), wk = 0.0024510 k( 390) = ( 0.5000000 0.5000000 -0.4778883), wk = 0.0024510 k( 391) = ( 0.5000000 0.5000000 -0.4852588), wk = 0.0024510 k( 392) = ( 0.5000000 0.5000000 -0.4926294), wk = 0.0024510 k( 393) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024510 k( 394) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 395) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0024510 k( 396) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0024510 k( 397) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0024510 k( 398) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0024510 k( 399) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0024510 k( 400) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0024510 k( 401) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024510 k( 402) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0024510 k( 403) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0024510 k( 404) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0024510 k( 405) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0024510 k( 406) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0024510 k( 407) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0024510 k( 408) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024510 Dense grid: 32213 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 19727 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 138, 28) NL pseudopotentials 0.07 Mb ( 69, 66) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 896) G-vector shells 0.00 Mb ( 419) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 138, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 66, 2, 28) The potential is recalculated from file : ./Zr2Zn.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 6.0 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.9 secs Computing kpt #: 14 total cpu time spent up to now is 7.2 secs Computing kpt #: 15 total cpu time spent up to now is 7.6 secs Computing kpt #: 16 total cpu time spent up to now is 7.9 secs Computing kpt #: 17 total cpu time spent up to now is 8.2 secs Computing kpt #: 18 total cpu time spent up to now is 8.5 secs Computing kpt #: 19 total cpu time spent up to now is 8.8 secs Computing kpt #: 20 total cpu time spent up to now is 9.1 secs Computing kpt #: 21 total cpu time spent up to now is 9.4 secs Computing kpt #: 22 total cpu time spent up to now is 9.6 secs Computing kpt #: 23 total cpu time spent up to now is 9.9 secs Computing kpt #: 24 total cpu time spent up to now is 10.2 secs Computing kpt #: 25 total cpu time spent up to now is 10.4 secs Computing kpt #: 26 total cpu time spent up to now is 10.7 secs Computing kpt #: 27 total cpu time spent up to now is 10.9 secs Computing kpt #: 28 total cpu time spent up to now is 11.2 secs Computing kpt #: 29 total cpu time spent up to now is 11.5 secs Computing kpt #: 30 total cpu time spent up to now is 11.7 secs Computing kpt #: 31 total cpu time spent up to now is 12.0 secs Computing kpt #: 32 total cpu time spent up to now is 12.2 secs Computing kpt #: 33 total cpu time spent up to now is 12.5 secs Computing kpt #: 34 total cpu time spent up to now is 12.7 secs Computing kpt #: 35 total cpu time spent up to now is 13.0 secs Computing kpt #: 36 total cpu time spent up to now is 13.3 secs Computing kpt #: 37 total cpu time spent up to now is 13.5 secs Computing kpt #: 38 total cpu time spent up to now is 13.8 secs Computing kpt #: 39 total cpu time spent up to now is 14.1 secs Computing kpt #: 40 total cpu time spent up to now is 14.3 secs Computing kpt #: 41 total cpu time spent up to now is 14.6 secs Computing kpt #: 42 total cpu time spent up to now is 14.8 secs Computing kpt #: 43 total cpu time spent up to now is 15.1 secs Computing kpt #: 44 total cpu time spent up to now is 15.4 secs Computing kpt #: 45 total cpu time spent up to now is 15.6 secs Computing kpt #: 46 total cpu time spent up to now is 15.9 secs Computing kpt #: 47 total cpu time spent up to now is 16.2 secs Computing kpt #: 48 total cpu time spent up to now is 16.6 secs Computing kpt #: 49 total cpu time spent up to now is 16.8 secs Computing kpt #: 50 total cpu time spent up to now is 17.1 secs Computing kpt #: 51 total cpu time spent up to now is 17.4 secs Computing kpt #: 52 total cpu time spent up to now is 17.6 secs Computing kpt #: 53 total cpu time spent up to now is 17.9 secs Computing kpt #: 54 total cpu time spent up to now is 18.2 secs Computing kpt #: 55 total cpu time spent up to now is 18.5 secs Computing kpt #: 56 total cpu time spent up to now is 18.8 secs Computing kpt #: 57 total cpu time spent up to now is 19.1 secs Computing kpt #: 58 total cpu time spent up to now is 19.4 secs Computing kpt #: 59 total cpu time spent up to now is 19.8 secs Computing kpt #: 60 total cpu time spent up to now is 20.3 secs Computing kpt #: 61 total cpu time spent up to now is 20.8 secs Computing kpt #: 62 total cpu time spent up to now is 21.3 secs Computing kpt #: 63 total cpu time spent up to now is 21.9 secs Computing kpt #: 64 total cpu time spent up to now is 22.3 secs Computing kpt #: 65 total cpu time spent up to now is 22.7 secs Computing kpt #: 66 total cpu time spent up to now is 23.2 secs Computing kpt #: 67 total cpu time spent up to now is 23.6 secs Computing kpt #: 68 total cpu time spent up to now is 24.0 secs Computing kpt #: 69 total cpu time spent up to now is 24.5 secs Computing kpt #: 70 total cpu time spent up to now is 24.9 secs Computing kpt #: 71 total cpu time spent up to now is 25.3 secs Computing kpt #: 72 total cpu time spent up to now is 25.8 secs Computing kpt #: 73 total cpu time spent up to now is 26.3 secs Computing kpt #: 74 total cpu time spent up to now is 26.8 secs Computing kpt #: 75 total cpu time spent up to now is 27.2 secs Computing kpt #: 76 total cpu time spent up to now is 27.7 secs Computing kpt #: 77 total cpu time spent up to now is 28.2 secs Computing kpt #: 78 total cpu time spent up to now is 28.7 secs Computing kpt #: 79 total cpu time spent up to now is 29.3 secs Computing kpt #: 80 total cpu time spent up to now is 30.0 secs Computing kpt #: 81 total cpu time spent up to now is 30.4 secs Computing kpt #: 82 total cpu time spent up to now is 30.8 secs Computing kpt #: 83 total cpu time spent up to now is 31.2 secs Computing kpt #: 84 total cpu time spent up to now is 31.6 secs Computing kpt #: 85 total cpu time spent up to now is 31.9 secs Computing kpt #: 86 total cpu time spent up to now is 32.2 secs Computing kpt #: 87 total cpu time spent up to now is 32.5 secs Computing kpt #: 88 total cpu time spent up to now is 32.8 secs Computing kpt #: 89 total cpu time spent up to now is 33.1 secs Computing kpt #: 90 total cpu time spent up to now is 33.4 secs Computing kpt #: 91 total cpu time spent up to now is 33.7 secs Computing kpt #: 92 total cpu time spent up to now is 34.0 secs Computing kpt #: 93 total cpu time spent up to now is 34.3 secs Computing kpt #: 94 total cpu time spent up to now is 34.6 secs Computing kpt #: 95 total cpu time spent up to now is 34.9 secs Computing kpt #: 96 total cpu time spent up to now is 35.1 secs Computing kpt #: 97 total cpu time spent up to now is 35.4 secs Computing kpt #: 98 total cpu time spent up to now is 35.7 secs Computing kpt #: 99 total cpu time spent up to now is 35.9 secs Computing kpt #: 100 total cpu time spent up to now is 36.2 secs Computing kpt #: 101 total cpu time spent up to now is 36.5 secs Computing kpt #: 102 total cpu time spent up to now is 36.8 secs Computing kpt #: 103 total cpu time spent up to now is 37.0 secs Computing kpt #: 104 total cpu time spent up to now is 37.3 secs Computing kpt #: 105 total cpu time spent up to now is 37.6 secs Computing kpt #: 106 total cpu time spent up to now is 37.8 secs Computing kpt #: 107 total cpu time spent up to now is 38.1 secs Computing kpt #: 108 total cpu time spent up to now is 38.4 secs Computing kpt #: 109 total cpu time spent up to now is 38.7 secs Computing kpt #: 110 total cpu time spent up to now is 38.9 secs Computing kpt #: 111 total cpu time spent up to now is 39.2 secs Computing kpt #: 112 total cpu time spent up to now is 39.5 secs Computing kpt #: 113 total cpu time spent up to now is 39.7 secs Computing kpt #: 114 total cpu time spent up to now is 40.0 secs Computing kpt #: 115 total cpu time spent up to now is 40.3 secs Computing kpt #: 116 total cpu time spent up to now is 40.5 secs Computing kpt #: 117 total cpu time spent up to now is 40.8 secs Computing kpt #: 118 total cpu time spent up to now is 41.1 secs Computing kpt #: 119 total cpu time spent up to now is 41.3 secs Computing kpt #: 120 total cpu time spent up to now is 41.6 secs Computing kpt #: 121 total cpu time spent up to now is 41.9 secs Computing kpt #: 122 total cpu time spent up to now is 42.1 secs Computing kpt #: 123 total cpu time spent up to now is 42.4 secs Computing kpt #: 124 total cpu time spent up to now is 42.7 secs Computing kpt #: 125 total cpu time spent up to now is 42.9 secs Computing kpt #: 126 total cpu time spent up to now is 43.2 secs Computing kpt #: 127 total cpu time spent up to now is 43.5 secs Computing kpt #: 128 total cpu time spent up to now is 43.7 secs Computing kpt #: 129 total cpu time spent up to now is 44.0 secs Computing kpt #: 130 total cpu time spent up to now is 44.3 secs Computing kpt #: 131 total cpu time spent up to now is 44.5 secs Computing kpt #: 132 total cpu time spent up to now is 44.8 secs Computing kpt #: 133 total cpu time spent up to now is 45.1 secs Computing kpt #: 134 total cpu time spent up to now is 45.3 secs Computing kpt #: 135 total cpu time spent up to now is 45.6 secs Computing kpt #: 136 total cpu time spent up to now is 45.8 secs Computing kpt #: 137 total cpu time spent up to now is 46.1 secs Computing kpt #: 138 total cpu time spent up to now is 46.3 secs Computing kpt #: 139 total cpu time spent up to now is 46.7 secs Computing kpt #: 140 total cpu time spent up to now is 46.9 secs Computing kpt #: 141 total cpu time spent up to now is 47.2 secs Computing kpt #: 142 total cpu time spent up to now is 47.4 secs Computing kpt #: 143 total cpu time spent up to now is 47.7 secs Computing kpt #: 144 total cpu time spent up to now is 48.0 secs Computing kpt #: 145 total cpu time spent up to now is 48.2 secs Computing kpt #: 146 total cpu time spent up to now is 48.5 secs Computing kpt #: 147 total cpu time spent up to now is 48.7 secs Computing kpt #: 148 total cpu time spent up to now is 49.0 secs Computing kpt #: 149 total cpu time spent up to now is 49.3 secs Computing kpt #: 150 total cpu time spent up to now is 49.5 secs Computing kpt #: 151 total cpu time spent up to now is 49.8 secs Computing kpt #: 152 total cpu time spent up to now is 50.1 secs Computing kpt #: 153 total cpu time spent up to now is 50.3 secs Computing kpt #: 154 total cpu time spent up to now is 50.6 secs Computing kpt #: 155 total cpu time spent up to now is 50.8 secs Computing kpt #: 156 total cpu time spent up to now is 51.1 secs Computing kpt #: 157 total cpu time spent up to now is 51.4 secs Computing kpt #: 158 total cpu time spent up to now is 51.6 secs Computing kpt #: 159 total cpu time spent up to now is 51.9 secs Computing kpt #: 160 total cpu time spent up to now is 52.1 secs Computing kpt #: 161 total cpu time spent up to now is 52.4 secs Computing kpt #: 162 total cpu time spent up to now is 52.7 secs Computing kpt #: 163 total cpu time spent up to now is 53.0 secs Computing kpt #: 164 total cpu time spent up to now is 53.3 secs Computing kpt #: 165 total cpu time spent up to now is 53.6 secs Computing kpt #: 166 total cpu time spent up to now is 53.8 secs Computing kpt #: 167 total cpu time spent up to now is 54.1 secs Computing kpt #: 168 total cpu time spent up to now is 54.4 secs Computing kpt #: 169 total cpu time spent up to now is 54.7 secs Computing kpt #: 170 total cpu time spent up to now is 55.0 secs Computing kpt #: 171 total cpu time spent up to now is 55.4 secs Computing kpt #: 172 total cpu time spent up to now is 55.7 secs Computing kpt #: 173 total cpu time spent up to now is 56.1 secs Computing kpt #: 174 total cpu time spent up to now is 56.5 secs Computing kpt #: 175 total cpu time spent up to now is 56.8 secs Computing kpt #: 176 total cpu time spent up to now is 57.1 secs Computing kpt #: 177 total cpu time spent up to now is 57.4 secs Computing kpt #: 178 total cpu time spent up to now is 57.9 secs Computing kpt #: 179 total cpu time spent up to now is 58.4 secs Computing kpt #: 180 total cpu time spent up to now is 58.9 secs Computing kpt #: 181 total cpu time spent up to now is 59.4 secs Computing kpt #: 182 total cpu time spent up to now is 59.9 secs Computing kpt #: 183 total cpu time spent up to now is 60.3 secs Computing kpt #: 184 total cpu time spent up to now is 60.8 secs Computing kpt #: 185 total cpu time spent up to now is 61.4 secs Computing kpt #: 186 total cpu time spent up to now is 62.1 secs Computing kpt #: 187 total cpu time spent up to now is 62.4 secs Computing kpt #: 188 total cpu time spent up to now is 62.8 secs Computing kpt #: 189 total cpu time spent up to now is 63.2 secs Computing kpt #: 190 total cpu time spent up to now is 63.5 secs Computing kpt #: 191 total cpu time spent up to now is 63.9 secs Computing kpt #: 192 total cpu time spent up to now is 64.3 secs Computing kpt #: 193 total cpu time spent up to now is 64.6 secs Computing kpt #: 194 total cpu time spent up to now is 64.9 secs Computing kpt #: 195 total cpu time spent up to now is 65.3 secs Computing kpt #: 196 total cpu time spent up to now is 65.6 secs Computing kpt #: 197 total cpu time spent up to now is 65.9 secs Computing kpt #: 198 total cpu time spent up to now is 66.3 secs Computing kpt #: 199 total cpu time spent up to now is 66.6 secs Computing kpt #: 200 total cpu time spent up to now is 66.9 secs Computing kpt #: 201 total cpu time spent up to now is 67.2 secs Computing kpt #: 202 total cpu time spent up to now is 67.6 secs Computing kpt #: 203 total cpu time spent up to now is 67.9 secs Computing kpt #: 204 total cpu time spent up to now is 68.2 secs Computing kpt #: 205 total cpu time spent up to now is 68.6 secs Computing kpt #: 206 total cpu time spent up to now is 68.9 secs Computing kpt #: 207 total cpu time spent up to now is 69.3 secs Computing kpt #: 208 total cpu time spent up to now is 69.6 secs Computing kpt #: 209 total cpu time spent up to now is 69.9 secs Computing kpt #: 210 total cpu time spent up to now is 70.3 secs Computing kpt #: 211 total cpu time spent up to now is 70.6 secs Computing kpt #: 212 total cpu time spent up to now is 70.9 secs Computing kpt #: 213 total cpu time spent up to now is 71.3 secs Computing kpt #: 214 total cpu time spent up to now is 71.6 secs Computing kpt #: 215 total cpu time spent up to now is 71.9 secs Computing kpt #: 216 total cpu time spent up to now is 72.2 secs Computing kpt #: 217 total cpu time spent up to now is 72.5 secs Computing kpt #: 218 total cpu time spent up to now is 72.7 secs Computing kpt #: 219 total cpu time spent up to now is 73.0 secs Computing kpt #: 220 total cpu time spent up to now is 73.3 secs Computing kpt #: 221 total cpu time spent up to now is 73.6 secs Computing kpt #: 222 total cpu time spent up to now is 73.9 secs Computing kpt #: 223 total cpu time spent up to now is 74.1 secs Computing kpt #: 224 total cpu time spent up to now is 74.4 secs Computing kpt #: 225 total cpu time spent up to now is 74.7 secs Computing kpt #: 226 total cpu time spent up to now is 74.9 secs Computing kpt #: 227 total cpu time spent up to now is 75.2 secs Computing kpt #: 228 total cpu time spent up to now is 75.5 secs Computing kpt #: 229 total cpu time spent up to now is 75.7 secs Computing kpt #: 230 total cpu time spent up to now is 76.0 secs Computing kpt #: 231 total cpu time spent up to now is 76.3 secs Computing kpt #: 232 total cpu time spent up to now is 76.5 secs Computing kpt #: 233 total cpu time spent up to now is 76.9 secs Computing kpt #: 234 total cpu time spent up to now is 77.2 secs Computing kpt #: 235 total cpu time spent up to now is 77.4 secs Computing kpt #: 236 total cpu time spent up to now is 77.7 secs Computing kpt #: 237 total cpu time spent up to now is 77.9 secs Computing kpt #: 238 total cpu time spent up to now is 78.2 secs Computing kpt #: 239 total cpu time spent up to now is 78.4 secs Computing kpt #: 240 total cpu time spent up to now is 78.7 secs Computing kpt #: 241 total cpu time spent up to now is 79.0 secs Computing kpt #: 242 total cpu time spent up to now is 79.2 secs Computing kpt #: 243 total cpu time spent up to now is 79.5 secs Computing kpt #: 244 total cpu time spent up to now is 79.7 secs Computing kpt #: 245 total cpu time spent up to now is 80.1 secs Computing kpt #: 246 total cpu time spent up to now is 80.3 secs Computing kpt #: 247 total cpu time spent up to now is 80.6 secs Computing kpt #: 248 total cpu time spent up to now is 80.8 secs Computing kpt #: 249 total cpu time spent up to now is 81.1 secs Computing kpt #: 250 total cpu time spent up to now is 81.4 secs Computing kpt #: 251 total cpu time spent up to now is 81.6 secs Computing kpt #: 252 total cpu time spent up to now is 81.9 secs Computing kpt #: 253 total cpu time spent up to now is 82.2 secs Computing kpt #: 254 total cpu time spent up to now is 82.4 secs Computing kpt #: 255 total cpu time spent up to now is 82.7 secs Computing kpt #: 256 total cpu time spent up to now is 83.0 secs Computing kpt #: 257 total cpu time spent up to now is 83.2 secs Computing kpt #: 258 total cpu time spent up to now is 83.5 secs Computing kpt #: 259 total cpu time spent up to now is 83.8 secs Computing kpt #: 260 total cpu time spent up to now is 84.0 secs Computing kpt #: 261 total cpu time spent up to now is 84.3 secs Computing kpt #: 262 total cpu time spent up to now is 84.5 secs Computing kpt #: 263 total cpu time spent up to now is 84.8 secs Computing kpt #: 264 total cpu time spent up to now is 85.0 secs Computing kpt #: 265 total cpu time spent up to now is 85.3 secs Computing kpt #: 266 total cpu time spent up to now is 85.5 secs Computing kpt #: 267 total cpu time spent up to now is 85.8 secs Computing kpt #: 268 total cpu time spent up to now is 86.1 secs Computing kpt #: 269 total cpu time spent up to now is 86.3 secs Computing kpt #: 270 total cpu time spent up to now is 86.6 secs Computing kpt #: 271 total cpu time spent up to now is 86.8 secs Computing kpt #: 272 total cpu time spent up to now is 87.1 secs Computing kpt #: 273 total cpu time spent up to now is 87.4 secs Computing kpt #: 274 total cpu time spent up to now is 87.6 secs Computing kpt #: 275 total cpu time spent up to now is 87.9 secs Computing kpt #: 276 total cpu time spent up to now is 88.2 secs Computing kpt #: 277 total cpu time spent up to now is 88.4 secs Computing kpt #: 278 total cpu time spent up to now is 88.7 secs Computing kpt #: 279 total cpu time spent up to now is 89.0 secs Computing kpt #: 280 total cpu time spent up to now is 89.2 secs Computing kpt #: 281 total cpu time spent up to now is 89.5 secs Computing kpt #: 282 total cpu time spent up to now is 89.8 secs Computing kpt #: 283 total cpu time spent up to now is 90.1 secs Computing kpt #: 284 total cpu time spent up to now is 90.3 secs Computing kpt #: 285 total cpu time spent up to now is 90.6 secs Computing kpt #: 286 total cpu time spent up to now is 90.9 secs Computing kpt #: 287 total cpu time spent up to now is 91.1 secs Computing kpt #: 288 total cpu time spent up to now is 91.4 secs Computing kpt #: 289 total cpu time spent up to now is 91.7 secs Computing kpt #: 290 total cpu time spent up to now is 92.0 secs Computing kpt #: 291 total cpu time spent up to now is 92.3 secs Computing kpt #: 292 total cpu time spent up to now is 92.6 secs Computing kpt #: 293 total cpu time spent up to now is 92.8 secs Computing kpt #: 294 total cpu time spent up to now is 93.1 secs Computing kpt #: 295 total cpu time spent up to now is 93.5 secs Computing kpt #: 296 total cpu time spent up to now is 93.8 secs Computing kpt #: 297 total cpu time spent up to now is 94.2 secs Computing kpt #: 298 total cpu time spent up to now is 94.6 secs Computing kpt #: 299 total cpu time spent up to now is 95.1 secs Computing kpt #: 300 total cpu time spent up to now is 95.5 secs Computing kpt #: 301 total cpu time spent up to now is 95.8 secs Computing kpt #: 302 total cpu time spent up to now is 96.2 secs Computing kpt #: 303 total cpu time spent up to now is 96.5 secs Computing kpt #: 304 total cpu time spent up to now is 96.9 secs Computing kpt #: 305 total cpu time spent up to now is 97.2 secs Computing kpt #: 306 total cpu time spent up to now is 97.5 secs Computing kpt #: 307 total cpu time spent up to now is 97.9 secs Computing kpt #: 308 total cpu time spent up to now is 98.4 secs Computing kpt #: 309 total cpu time spent up to now is 98.8 secs Computing kpt #: 310 total cpu time spent up to now is 99.2 secs Computing kpt #: 311 total cpu time spent up to now is 99.5 secs Computing kpt #: 312 total cpu time spent up to now is 99.8 secs Computing kpt #: 313 total cpu time spent up to now is 100.1 secs Computing kpt #: 314 total cpu time spent up to now is 100.5 secs Computing kpt #: 315 total cpu time spent up to now is 100.8 secs Computing kpt #: 316 total cpu time spent up to now is 101.0 secs Computing kpt #: 317 total cpu time spent up to now is 101.3 secs Computing kpt #: 318 total cpu time spent up to now is 101.6 secs Computing kpt #: 319 total cpu time spent up to now is 101.9 secs Computing kpt #: 320 total cpu time spent up to now is 102.2 secs Computing kpt #: 321 total cpu time spent up to now is 102.5 secs Computing kpt #: 322 total cpu time spent up to now is 102.8 secs Computing kpt #: 323 total cpu time spent up to now is 103.1 secs Computing kpt #: 324 total cpu time spent up to now is 103.4 secs Computing kpt #: 325 total cpu time spent up to now is 103.7 secs Computing kpt #: 326 total cpu time spent up to now is 104.1 secs Computing kpt #: 327 total cpu time spent up to now is 104.5 secs Computing kpt #: 328 total cpu time spent up to now is 104.9 secs Computing kpt #: 329 total cpu time spent up to now is 105.3 secs Computing kpt #: 330 total cpu time spent up to now is 105.8 secs Computing kpt #: 331 total cpu time spent up to now is 106.4 secs Computing kpt #: 332 total cpu time spent up to now is 106.9 secs Computing kpt #: 333 total cpu time spent up to now is 107.5 secs Computing kpt #: 334 total cpu time spent up to now is 108.0 secs Computing kpt #: 335 total cpu time spent up to now is 108.4 secs Computing kpt #: 336 total cpu time spent up to now is 108.8 secs Computing kpt #: 337 total cpu time spent up to now is 109.2 secs Computing kpt #: 338 total cpu time spent up to now is 109.5 secs Computing kpt #: 339 total cpu time spent up to now is 109.8 secs Computing kpt #: 340 total cpu time spent up to now is 110.1 secs Computing kpt #: 341 total cpu time spent up to now is 110.4 secs Computing kpt #: 342 total cpu time spent up to now is 110.7 secs Computing kpt #: 343 total cpu time spent up to now is 111.0 secs Computing kpt #: 344 total cpu time spent up to now is 111.3 secs Computing kpt #: 345 total cpu time spent up to now is 111.5 secs Computing kpt #: 346 total cpu time spent up to now is 111.8 secs Computing kpt #: 347 total cpu time spent up to now is 112.1 secs Computing kpt #: 348 total cpu time spent up to now is 112.3 secs Computing kpt #: 349 total cpu time spent up to now is 112.6 secs Computing kpt #: 350 total cpu time spent up to now is 112.9 secs Computing kpt #: 351 total cpu time spent up to now is 113.1 secs Computing kpt #: 352 total cpu time spent up to now is 113.4 secs Computing kpt #: 353 total cpu time spent up to now is 113.7 secs Computing kpt #: 354 total cpu time spent up to now is 113.9 secs Computing kpt #: 355 total cpu time spent up to now is 114.2 secs Computing kpt #: 356 total cpu time spent up to now is 114.4 secs Computing kpt #: 357 total cpu time spent up to now is 114.7 secs Computing kpt #: 358 total cpu time spent up to now is 115.0 secs Computing kpt #: 359 total cpu time spent up to now is 115.2 secs Computing kpt #: 360 total cpu time spent up to now is 115.5 secs Computing kpt #: 361 total cpu time spent up to now is 115.7 secs Computing kpt #: 362 total cpu time spent up to now is 116.0 secs Computing kpt #: 363 total cpu time spent up to now is 116.3 secs Computing kpt #: 364 total cpu time spent up to now is 116.6 secs Computing kpt #: 365 total cpu time spent up to now is 116.9 secs Computing kpt #: 366 total cpu time spent up to now is 117.2 secs Computing kpt #: 367 total cpu time spent up to now is 117.5 secs Computing kpt #: 368 total cpu time spent up to now is 117.9 secs Computing kpt #: 369 total cpu time spent up to now is 118.3 secs Computing kpt #: 370 total cpu time spent up to now is 118.7 secs Computing kpt #: 371 total cpu time spent up to now is 119.1 secs Computing kpt #: 372 total cpu time spent up to now is 119.5 secs Computing kpt #: 373 total cpu time spent up to now is 119.8 secs Computing kpt #: 374 total cpu time spent up to now is 120.2 secs Computing kpt #: 375 total cpu time spent up to now is 120.5 secs Computing kpt #: 376 total cpu time spent up to now is 120.8 secs Computing kpt #: 377 total cpu time spent up to now is 121.1 secs Computing kpt #: 378 total cpu time spent up to now is 121.4 secs Computing kpt #: 379 total cpu time spent up to now is 121.7 secs Computing kpt #: 380 total cpu time spent up to now is 122.0 secs Computing kpt #: 381 total cpu time spent up to now is 122.3 secs Computing kpt #: 382 total cpu time spent up to now is 122.7 secs Computing kpt #: 383 total cpu time spent up to now is 123.0 secs Computing kpt #: 384 total cpu time spent up to now is 123.4 secs Computing kpt #: 385 total cpu time spent up to now is 123.7 secs Computing kpt #: 386 total cpu time spent up to now is 124.0 secs Computing kpt #: 387 total cpu time spent up to now is 124.4 secs Computing kpt #: 388 total cpu time spent up to now is 124.7 secs Computing kpt #: 389 total cpu time spent up to now is 125.1 secs Computing kpt #: 390 total cpu time spent up to now is 125.4 secs Computing kpt #: 391 total cpu time spent up to now is 125.7 secs Computing kpt #: 392 total cpu time spent up to now is 126.1 secs Computing kpt #: 393 total cpu time spent up to now is 126.4 secs Computing kpt #: 394 total cpu time spent up to now is 126.9 secs Computing kpt #: 395 total cpu time spent up to now is 127.3 secs Computing kpt #: 396 total cpu time spent up to now is 127.6 secs Computing kpt #: 397 total cpu time spent up to now is 128.0 secs Computing kpt #: 398 total cpu time spent up to now is 128.4 secs Computing kpt #: 399 total cpu time spent up to now is 128.7 secs Computing kpt #: 400 total cpu time spent up to now is 129.0 secs Computing kpt #: 401 total cpu time spent up to now is 129.3 secs Computing kpt #: 402 total cpu time spent up to now is 129.6 secs Computing kpt #: 403 total cpu time spent up to now is 129.8 secs Computing kpt #: 404 total cpu time spent up to now is 130.1 secs Computing kpt #: 405 total cpu time spent up to now is 130.4 secs Computing kpt #: 406 total cpu time spent up to now is 130.7 secs Computing kpt #: 407 total cpu time spent up to now is 131.0 secs Computing kpt #: 408 total cpu time spent up to now is 131.3 secs ethr = 5.00E-08, avg # of iterations = 20.3 total cpu time spent up to now is 131.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2451 PWs) bands (ev): 1.5545 1.5545 1.7123 1.7123 1.8140 1.8140 2.1111 2.1111 2.1306 2.1306 2.2247 2.2247 5.7106 5.7106 7.2152 7.2152 7.5713 7.5713 9.2481 9.2481 10.5070 10.5070 10.5830 10.5830 11.2574 11.2574 11.3630 11.3631 k = 0.0000 0.0000 0.0192 ( 2447 PWs) bands (ev): 1.5560 1.5560 1.7124 1.7124 1.8143 1.8143 2.1111 2.1111 2.1307 2.1307 2.2246 2.2246 5.7124 5.7124 7.2164 7.2164 7.5714 7.5714 9.2474 9.2474 10.5051 10.5051 10.5810 10.5810 11.2357 11.2357 11.3411 11.3411 k = 0.0000 0.0000 0.0384 ( 2447 PWs) bands (ev): 1.5606 1.5606 1.7128 1.7128 1.8151 1.8151 2.1110 2.1110 2.1308 2.1308 2.2243 2.2243 5.7180 5.7180 7.2201 7.2201 7.5714 7.5714 9.2452 9.2452 10.4994 10.4994 10.5752 10.5752 11.1703 11.1703 11.3245 11.3246 k = 0.0000 0.0000 0.0576 ( 2439 PWs) bands (ev): 1.5682 1.5682 1.7135 1.7135 1.8166 1.8166 2.1108 2.1108 2.1311 2.1311 2.2237 2.2237 5.7272 5.7272 7.2263 7.2263 7.5716 7.5716 9.2416 9.2416 10.4896 10.4896 10.5661 10.5661 11.0839 11.0839 11.3214 11.3214 k = 0.0000 0.0000 0.0768 ( 2439 PWs) bands (ev): 1.5786 1.5786 1.7143 1.7143 1.8187 1.8187 2.1105 2.1105 2.1315 2.1315 2.2229 2.2229 5.7401 5.7401 7.2348 7.2348 7.5717 7.5717 9.2365 9.2365 10.4756 10.4756 10.5545 10.5545 10.9918 10.9918 11.3232 11.3232 k = 0.0000 0.0000 0.0959 ( 2442 PWs) bands (ev): 1.5917 1.5917 1.7153 1.7153 1.8216 1.8216 2.1101 2.1101 2.1320 2.1320 2.2219 2.2219 5.7567 5.7567 7.2458 7.2458 7.5719 7.5719 9.2299 9.2299 10.4573 10.4573 10.5410 10.5410 10.8988 10.8988 11.3275 11.3275 k = 0.0000 0.0000 0.1151 ( 2450 PWs) bands (ev): 1.6073 1.6073 1.7166 1.7166 1.8254 1.8254 2.1096 2.1096 2.1326 2.1326 2.2206 2.2206 5.7769 5.7769 7.2592 7.2592 7.5720 7.5720 9.2218 9.2218 10.4350 10.4350 10.5260 10.5260 10.8072 10.8072 11.3335 11.3335 k = 0.0000 0.0000 0.1343 ( 2448 PWs) bands (ev): 1.6249 1.6249 1.7181 1.7181 1.8306 1.8306 2.1091 2.1091 2.1335 2.1335 2.2192 2.2192 5.8006 5.8006 7.2749 7.2749 7.5720 7.5720 9.2123 9.2123 10.4093 10.4093 10.5094 10.5094 10.7181 10.7181 11.3409 11.3409 k = 0.0000 0.0000 0.1535 ( 2454 PWs) bands (ev): 1.6442 1.6442 1.7199 1.7199 1.8374 1.8374 2.1085 2.1085 2.1345 2.1345 2.2175 2.2175 5.8279 5.8279 7.2929 7.2929 7.5719 7.5719 9.2012 9.2012 10.3807 10.3807 10.4904 10.4904 10.6329 10.6329 11.3495 11.3495 k = 0.0000 0.0000 0.1727 ( 2458 PWs) bands (ev): 1.6641 1.6641 1.7219 1.7219 1.8465 1.8465 2.1079 2.1079 2.1359 2.1359 2.2158 2.2158 5.8587 5.8587 7.3132 7.3132 7.5717 7.5717 9.1886 9.1886 10.3500 10.3500 10.4660 10.4660 10.5551 10.5551 11.3595 11.3595 k = 0.0000 0.0000 0.1919 ( 2454 PWs) bands (ev): 1.6839 1.6839 1.7243 1.7243 1.8587 1.8587 2.1074 2.1074 2.1376 2.1376 2.2139 2.2139 5.8928 5.8928 7.3356 7.3356 7.5712 7.5712 9.1744 9.1744 10.3177 10.3177 10.4259 10.4259 10.4953 10.4953 11.3705 11.3705 k = 0.0000 0.0000 0.2111 ( 2446 PWs) bands (ev): 1.7020 1.7020 1.7275 1.7275 1.8749 1.8749 2.1069 2.1069 2.1398 2.1398 2.2121 2.2121 5.9303 5.9303 7.3602 7.3602 7.5705 7.5705 9.1587 9.1587 10.2843 10.2843 10.3637 10.3637 10.4602 10.4602 11.3824 11.3824 k = 0.0000 0.0000 0.2303 ( 2450 PWs) bands (ev): 1.7163 1.7163 1.7322 1.7322 1.8956 1.8956 2.1063 2.1063 2.1425 2.1425 2.2102 2.2102 5.9710 5.9710 7.3868 7.3868 7.5695 7.5695 9.1414 9.1414 10.2498 10.2498 10.2946 10.2946 10.4351 10.4351 11.3940 11.3940 k = 0.0000 0.0000 0.2495 ( 2446 PWs) bands (ev): 1.7250 1.7250 1.7401 1.7401 1.9210 1.9210 2.1059 2.1059 2.1461 2.1461 2.2087 2.2087 6.0149 6.0149 7.4153 7.4153 7.5682 7.5682 9.1226 9.1226 10.2116 10.2116 10.2297 10.2297 10.4123 10.4123 11.3981 11.3981 k = 0.0000 0.0000 0.2686 ( 2452 PWs) bands (ev): 1.7296 1.7296 1.7492 1.7492 1.9502 1.9502 2.1056 2.1056 2.1506 2.1506 2.2079 2.2079 6.0618 6.0618 7.4455 7.4455 7.5666 7.5666 9.1022 9.1022 10.1548 10.1548 10.1859 10.1859 10.3900 10.3900 11.3696 11.3696 k = 0.0000 0.0000 0.2878 ( 2448 PWs) bands (ev): 1.7331 1.7331 1.7572 1.7572 1.9817 1.9817 2.1055 2.1055 2.1565 2.1565 2.2090 2.2090 6.1117 6.1117 7.4772 7.4772 7.5649 7.5649 9.0802 9.0802 10.0929 10.0929 10.1507 10.1507 10.3678 10.3678 11.3214 11.3214 k = 0.0000 0.0000 0.3070 ( 2452 PWs) bands (ev): 1.7362 1.7362 1.7637 1.7637 2.0126 2.0126 2.1057 2.1057 2.1629 2.1629 2.2145 2.2145 6.1643 6.1643 7.5095 7.5095 7.5638 7.5638 9.0567 9.0567 10.0337 10.0337 10.1164 10.1164 10.3455 10.3455 11.2675 11.2675 k = 0.0000 0.0000 0.3262 ( 2440 PWs) bands (ev): 1.7393 1.7393 1.7689 1.7689 2.0398 2.0398 2.1065 2.1065 2.1680 2.1680 2.2290 2.2290 6.2195 6.2195 7.5374 7.5374 7.5681 7.5681 9.0316 9.0316 9.9780 9.9780 10.0825 10.0825 10.3233 10.3233 11.2104 11.2104 k = 0.0000 0.0000 0.3454 ( 2448 PWs) bands (ev): 1.7421 1.7421 1.7730 1.7730 2.0605 2.0605 2.1078 2.1078 2.1699 2.1699 2.2563 2.2563 6.2772 6.2772 7.5464 7.5464 7.5923 7.5923 9.0050 9.0050 9.9257 9.9257 10.0490 10.0490 10.3014 10.3014 11.1509 11.1509 k = 0.0000 0.0000 0.3646 ( 2450 PWs) bands (ev): 1.7450 1.7450 1.7763 1.7763 2.0743 2.0743 2.1099 2.1099 2.1691 2.1691 2.2960 2.2960 6.3372 6.3372 7.5448 7.5448 7.6278 7.6278 8.9769 8.9769 9.8768 9.8768 10.0155 10.0155 10.2800 10.2800 11.0895 11.0895 k = 0.0000 0.0000 0.3838 ( 2450 PWs) bands (ev): 1.7479 1.7479 1.7790 1.7790 2.0826 2.0826 2.1128 2.1128 2.1668 2.1668 2.3453 2.3453 6.3992 6.3992 7.5411 7.5411 7.6661 7.6661 8.9474 8.9474 9.8312 9.8312 9.9822 9.9822 10.2593 10.2593 11.0268 11.0268 k = 0.0000 0.0000 0.4030 ( 2458 PWs) bands (ev): 1.7506 1.7506 1.7810 1.7810 2.0874 2.0874 2.1160 2.1160 2.1635 2.1635 2.4017 2.4017 6.4630 6.4630 7.5365 7.5365 7.7058 7.7058 8.9164 8.9164 9.7885 9.7885 9.9489 9.9489 10.2395 10.2395 10.9631 10.9631 k = 0.0000 0.0000 0.4222 ( 2454 PWs) bands (ev): 1.7532 1.7532 1.7827 1.7827 2.0905 2.0905 2.1193 2.1193 2.1598 2.1598 2.4633 2.4633 6.5283 6.5283 7.5316 7.5316 7.7462 7.7462 8.8841 8.8841 9.7483 9.7483 9.9155 9.9155 10.2211 10.2211 10.8992 10.8992 k = 0.0000 0.0000 0.4414 ( 2458 PWs) bands (ev): 1.7558 1.7558 1.7840 1.7840 2.0928 2.0928 2.1222 2.1222 2.1557 2.1557 2.5292 2.5292 6.5948 6.5948 7.5264 7.5264 7.7871 7.7871 8.8506 8.8506 9.7102 9.7102 9.8819 9.8819 10.2043 10.2043 10.8354 10.8354 k = 0.0000 0.0000 0.4605 ( 2462 PWs) bands (ev): 1.7581 1.7581 1.7849 1.7849 2.0947 2.0947 2.1249 2.1249 2.1514 2.1514 2.5984 2.5984 6.6622 6.6622 7.5213 7.5213 7.8282 7.8282 8.8157 8.8157 9.6736 9.6736 9.8483 9.8483 10.1895 10.1895 10.7727 10.7727 k = 0.0000 0.0000 0.4797 ( 2458 PWs) bands (ev): 1.7603 1.7603 1.7856 1.7856 2.0966 2.0966 2.1273 2.1273 2.1471 2.1471 2.6706 2.6706 6.7299 6.7299 7.5164 7.5164 7.8690 7.8690 8.7797 8.7797 9.6378 9.6378 9.8146 9.8146 10.1770 10.1770 10.7115 10.7115 k = 0.0000 0.0000 0.4989 ( 2454 PWs) bands (ev): 1.7623 1.7623 1.7859 1.7859 2.0987 2.0987 2.1292 2.1292 2.1430 2.1430 2.7453 2.7453 6.7976 6.7976 7.5118 7.5118 7.9094 7.9094 8.7426 8.7426 9.6021 9.6021 9.7810 9.7810 10.1673 10.1673 10.6528 10.6528 k = 0.0000 0.0000 0.5181 ( 2456 PWs) bands (ev): 1.7640 1.7640 1.7860 1.7860 2.1009 2.1009 2.1299 2.1299 2.1397 2.1397 2.8222 2.8222 6.8647 6.8647 7.5078 7.5078 7.9488 7.9488 8.7045 8.7045 9.5658 9.5658 9.7477 9.7477 10.1608 10.1608 10.5972 10.5972 k = 0.0000 0.0000 0.5373 ( 2452 PWs) bands (ev): 1.7655 1.7655 1.7859 1.7859 2.1034 2.1034 2.1282 2.1282 2.1386 2.1386 2.9011 2.9011 6.9305 6.9305 7.5045 7.5045 7.9870 7.9870 8.6655 8.6655 9.5280 9.5280 9.7152 9.7152 10.1579 10.1579 10.5456 10.5456 k = 0.0000 0.0000 0.5565 ( 2464 PWs) bands (ev): 1.7666 1.7666 1.7855 1.7855 2.1061 2.1061 2.1244 2.1244 2.1393 2.1393 2.9816 2.9816 6.9944 6.9944 7.5021 7.5021 8.0236 8.0236 8.6257 8.6257 9.4880 9.4880 9.6840 9.6840 10.1590 10.1590 10.4988 10.4988 k = 0.0000 0.0000 0.5757 ( 2464 PWs) bands (ev): 1.7674 1.7674 1.7850 1.7850 2.1092 2.1092 2.1199 2.1199 2.1409 2.1409 3.0637 3.0637 7.0556 7.0556 7.5008 7.5008 8.0582 8.0582 8.5851 8.5851 9.4452 9.4452 9.6547 9.6547 10.1645 10.1645 10.4572 10.4572 k = 0.0000 0.0000 0.5949 ( 2460 PWs) bands (ev): 1.7680 1.7680 1.7843 1.7843 2.1114 2.1114 2.1164 2.1164 2.1426 2.1426 3.1469 3.1469 7.1133 7.1133 7.5008 7.5008 8.0905 8.0905 8.5438 8.5438 9.3992 9.3992 9.6284 9.6284 10.1748 10.1748 10.4213 10.4213 k = 0.0000 0.0000 0.6141 ( 2456 PWs) bands (ev): 1.7682 1.7682 1.7834 1.7834 2.1086 2.1086 2.1183 2.1183 2.1443 2.1443 3.2312 3.2312 7.1664 7.1664 7.5021 7.5021 8.1202 8.1202 8.5020 8.5020 9.3499 9.3499 9.6059 9.6059 10.1903 10.1903 10.3914 10.3914 k = 0.0000 0.0000 0.6332 ( 2460 PWs) bands (ev): 1.7680 1.7680 1.7824 1.7824 2.1037 2.1037 2.1224 2.1224 2.1459 2.1459 3.3163 3.3163 7.2141 7.2141 7.5048 7.5048 8.1469 8.1469 8.4598 8.4598 9.2973 9.2973 9.5883 9.5883 10.2112 10.2112 10.3674 10.3674 k = 0.0000 0.0000 0.6524 ( 2460 PWs) bands (ev): 1.7675 1.7675 1.7813 1.7813 2.0986 2.0986 2.1272 2.1272 2.1475 2.1475 3.4020 3.4020 7.2553 7.2553 7.5090 7.5090 8.1705 8.1705 8.4172 8.4172 9.2418 9.2418 9.5767 9.5767 10.2373 10.2373 10.3495 10.3495 k = 0.0000 0.0000 0.6716 ( 2464 PWs) bands (ev): 1.7666 1.7666 1.7801 1.7801 2.0935 2.0935 2.1324 2.1324 2.1490 2.1490 3.4881 3.4881 7.2893 7.2893 7.5146 7.5146 8.1908 8.1908 8.3744 8.3744 9.1839 9.1839 9.5723 9.5723 10.2674 10.2674 10.3384 10.3384 k = 0.0000 0.0000 0.6908 ( 2464 PWs) bands (ev): 1.7655 1.7655 1.7789 1.7789 2.0884 2.0884 2.1380 2.1380 2.1503 2.1503 3.5743 3.5743 7.3152 7.3152 7.5216 7.5216 8.2077 8.2077 8.3315 8.3315 9.1245 9.1245 9.5760 9.5760 10.2947 10.2947 10.3406 10.3406 k = 0.0000 0.0000 0.7100 ( 2466 PWs) bands (ev): 1.7639 1.7639 1.7775 1.7775 2.0833 2.0833 2.1440 2.1440 2.1516 2.1516 3.6605 3.6605 7.3324 7.3324 7.5297 7.5297 8.2212 8.2212 8.2885 8.2885 9.0643 9.0643 9.5885 9.5885 10.3038 10.3038 10.3709 10.3709 k = 0.0000 0.0000 0.7292 ( 2464 PWs) bands (ev): 1.7622 1.7622 1.7761 1.7761 2.0783 2.0783 2.1501 2.1501 2.1531 2.1531 3.7464 3.7464 7.3409 7.3409 7.5386 7.5386 8.2314 8.2314 8.2457 8.2457 9.0045 9.0045 9.6104 9.6104 10.3039 10.3039 10.4190 10.4190 k = 0.0000 0.0000 0.7484 ( 2464 PWs) bands (ev): 1.7601 1.7601 1.7747 1.7747 2.0734 2.0734 2.1532 2.1532 2.1577 2.1577 3.8318 3.8318 7.3405 7.3405 7.5479 7.5479 8.2029 8.2029 8.2386 8.2386 8.9460 8.9460 9.6417 9.6417 10.3036 10.3036 10.4759 10.4759 k = 0.0000 0.0000 0.7676 ( 2468 PWs) bands (ev): 1.7578 1.7578 1.7732 1.7732 2.0686 2.0686 2.1542 2.1542 2.1644 2.1644 3.9166 3.9166 7.3316 7.3316 7.5568 7.5568 8.1606 8.1606 8.2427 8.2427 8.8903 8.8903 9.6822 9.6822 10.3038 10.3038 10.5396 10.5396 k = 0.0000 0.0000 0.7868 ( 2470 PWs) bands (ev): 1.7553 1.7553 1.7717 1.7717 2.0639 2.0639 2.1550 2.1550 2.1716 2.1716 4.0006 4.0006 7.3149 7.3149 7.5646 7.5646 8.1185 8.1185 8.2442 8.2442 8.8387 8.8387 9.7316 9.7316 10.3046 10.3046 10.6093 10.6093 k = 0.0000 0.0000 0.8059 ( 2472 PWs) bands (ev): 1.7527 1.7527 1.7701 1.7701 2.0593 2.0593 2.1556 2.1556 2.1791 2.1791 4.0835 4.0835 7.2911 7.2911 7.5702 7.5702 8.0770 8.0770 8.2431 8.2431 8.7926 8.7926 9.7891 9.7891 10.3055 10.3055 10.6848 10.6848 k = 0.0000 0.0000 0.8251 ( 2476 PWs) bands (ev): 1.7499 1.7499 1.7685 1.7685 2.0548 2.0548 2.1560 2.1560 2.1867 2.1867 4.1653 4.1653 7.2612 7.2612 7.5723 7.5723 8.0361 8.0361 8.2400 8.2400 8.7536 8.7536 9.8538 9.8538 10.3063 10.3063 10.7655 10.7656 k = 0.0000 0.0000 0.8443 ( 2478 PWs) bands (ev): 1.7470 1.7470 1.7669 1.7669 2.0505 2.0505 2.1563 2.1563 2.1945 2.1945 4.2458 4.2458 7.2262 7.2262 7.5698 7.5698 7.9958 7.9958 8.2349 8.2349 8.7234 8.7234 9.9248 9.9248 10.3066 10.3066 10.8514 10.8514 k = 0.0000 0.0000 0.8635 ( 2474 PWs) bands (ev): 1.7441 1.7441 1.7653 1.7653 2.0464 2.0464 2.1565 2.1565 2.2024 2.2024 4.3248 4.3248 7.1870 7.1870 7.5614 7.5614 7.9563 7.9563 8.2282 8.2282 8.7033 8.7033 10.0008 10.0008 10.3063 10.3063 10.9420 10.9420 k = 0.0000 0.0000 0.8827 ( 2478 PWs) bands (ev): 1.7411 1.7411 1.7637 1.7637 2.0425 2.0425 2.1565 2.1565 2.2102 2.2102 4.4023 4.4023 7.1445 7.1445 7.5461 7.5461 7.9176 7.9176 8.2202 8.2202 8.6945 8.6945 10.0805 10.0805 10.3058 10.3058 11.0370 11.0370 k = 0.0000 0.0000 0.9019 ( 2478 PWs) bands (ev): 1.7381 1.7381 1.7621 1.7621 2.0387 2.0387 2.1564 2.1564 2.2182 2.2182 4.4782 4.4782 7.0997 7.0997 7.5236 7.5236 7.8799 7.8799 8.2111 8.2111 8.6976 8.6976 10.1613 10.1613 10.3065 10.3065 11.1362 11.1362 k = 0.0000 0.0000 0.9211 ( 2482 PWs) bands (ev): 1.7350 1.7350 1.7605 1.7605 2.0350 2.0350 2.1563 2.1563 2.2261 2.2261 4.5524 4.5524 7.0533 7.0533 7.4938 7.4938 7.8432 7.8432 8.2011 8.2011 8.7124 8.7124 10.2332 10.2332 10.3174 10.3174 11.2394 11.2394 k = 0.0000 0.0000 0.9403 ( 2482 PWs) bands (ev): 1.7319 1.7319 1.7590 1.7590 2.0316 2.0316 2.1560 2.1560 2.2340 2.2340 4.6249 4.6249 7.0060 7.0060 7.4573 7.4573 7.8076 7.8076 8.1905 8.1905 8.7386 8.7386 10.2643 10.2643 10.3697 10.3697 11.3463 11.3463 k = 0.0000 0.0000 0.9595 ( 2478 PWs) bands (ev): 1.7290 1.7290 1.7576 1.7576 2.0284 2.0284 2.1557 2.1557 2.2418 2.2418 4.6955 4.6955 6.9584 6.9584 7.4148 7.4148 7.7733 7.7733 8.1794 8.1794 8.7750 8.7750 10.2651 10.2651 10.4520 10.4520 11.4567 11.4567 k = 0.0000 0.0000 0.9787 ( 2470 PWs) bands (ev): 1.7261 1.7261 1.7562 1.7562 2.0253 2.0253 2.1553 2.1553 2.2495 2.2495 4.7644 4.7644 6.9110 6.9110 7.3674 7.3674 7.7403 7.7403 8.1681 8.1681 8.8205 8.8205 10.2585 10.2585 10.5410 10.5410 11.5703 11.5703 k = 0.0000 0.0000 0.9978 ( 2470 PWs) bands (ev): 1.7233 1.7233 1.7548 1.7548 2.0225 2.0225 2.1549 2.1549 2.2569 2.2569 4.8314 4.8314 6.8644 6.8644 7.3162 7.3162 7.7087 7.7087 8.1567 8.1567 8.8739 8.8739 10.2489 10.2489 10.6315 10.6315 11.6871 11.6871 k = 0.0000 0.0000 1.0170 ( 2470 PWs) bands (ev): 1.7205 1.7205 1.7535 1.7535 2.0198 2.0198 2.1543 2.1543 2.2641 2.2641 4.8965 4.8965 6.8190 6.8190 7.2622 7.2622 7.6787 7.6787 8.1454 8.1454 8.9337 8.9337 10.2375 10.2375 10.7219 10.7219 11.8067 11.8067 k = 0.0000 0.0000 1.0362 ( 2466 PWs) bands (ev): 1.7179 1.7179 1.7523 1.7523 2.0173 2.0173 2.1538 2.1538 2.2711 2.2711 4.9597 4.9597 6.7751 6.7751 7.2063 7.2063 7.6502 7.6502 8.1343 8.1343 8.9989 8.9989 10.2247 10.2247 10.8112 10.8112 11.9290 11.9290 k = 0.0000 0.0000 1.0554 ( 2458 PWs) bands (ev): 1.7155 1.7155 1.7512 1.7512 2.0151 2.0151 2.1532 2.1532 2.2777 2.2777 5.0210 5.0210 6.7331 6.7331 7.1493 7.1493 7.6233 7.6233 8.1235 8.1235 9.0681 9.0681 10.2109 10.2109 10.8986 10.8986 12.0538 12.0538 k = 0.0000 0.0000 1.0746 ( 2470 PWs) bands (ev): 1.7130 1.7130 1.7500 1.7500 2.0129 2.0129 2.1525 2.1525 2.2839 2.2839 5.0801 5.0801 6.6932 6.6932 7.0919 7.0919 7.5982 7.5982 8.1131 8.1131 9.1403 9.1403 10.1962 10.1962 10.9834 10.9834 12.1809 12.1809 k = 0.0000 0.0000 1.0938 ( 2470 PWs) bands (ev): 1.7107 1.7107 1.7490 1.7490 2.0109 2.0109 2.1519 2.1519 2.2898 2.2898 5.1371 5.1371 6.6557 6.6557 7.0350 7.0350 7.5748 7.5748 8.1033 8.1033 9.2143 9.2143 10.1809 10.1809 11.0650 11.0650 12.3100 12.3100 k = 0.0000 0.0000 1.1130 ( 2478 PWs) bands (ev): 1.7085 1.7085 1.7480 1.7480 2.0091 2.0091 2.1513 2.1513 2.2953 2.2953 5.1918 5.1918 6.6209 6.6209 6.9791 6.9791 7.5533 7.5533 8.0940 8.0940 9.2892 9.2892 10.1651 10.1651 11.1426 11.1426 12.4406 12.4406 k = 0.0000 0.0000 1.1322 ( 2474 PWs) bands (ev): 1.7066 1.7066 1.7472 1.7472 2.0075 2.0075 2.1507 2.1507 2.3004 2.3004 5.2439 5.2439 6.5888 6.5888 6.9248 6.9248 7.5336 7.5336 8.0855 8.0855 9.3637 9.3637 10.1489 10.1489 11.2156 11.2156 12.5716 12.5716 k = 0.0000 0.0000 1.1514 ( 2470 PWs) bands (ev): 1.7050 1.7050 1.7464 1.7464 2.0061 2.0061 2.1502 2.1502 2.3051 2.3051 5.2931 5.2931 6.5597 6.5597 6.8728 6.8728 7.5159 7.5159 8.0777 8.0777 9.4368 9.4368 10.1323 10.1323 11.2833 11.2833 12.6980 12.6980 k = 0.0000 0.0000 1.1705 ( 2474 PWs) bands (ev): 1.7034 1.7034 1.7457 1.7457 2.0049 2.0049 2.1497 2.1497 2.3092 2.3092 5.3389 5.3389 6.5337 6.5337 6.8239 6.8239 7.5002 7.5002 8.0707 8.0707 9.5074 9.5074 10.1154 10.1154 11.3450 11.3450 12.7778 12.7778 k = 0.0000 0.0000 1.1897 ( 2476 PWs) bands (ev): 1.7020 1.7020 1.7451 1.7451 2.0038 2.0038 2.1492 2.1492 2.3128 2.3128 5.3810 5.3810 6.5109 6.5109 6.7787 6.7787 7.4864 7.4864 8.0645 8.0645 9.5745 9.5745 10.0981 10.0981 11.4001 11.4001 12.7655 12.7655 k = 0.0000 0.0000 1.2089 ( 2480 PWs) bands (ev): 1.7008 1.7008 1.7446 1.7446 2.0029 2.0029 2.1487 2.1487 2.3159 2.3159 5.4186 5.4186 6.4915 6.4915 6.7381 6.7381 7.4748 7.4748 8.0592 8.0592 9.6370 9.6370 10.0804 10.0804 11.4480 11.4480 12.7373 12.7373 k = 0.0000 0.0000 1.2281 ( 2472 PWs) bands (ev): 1.6999 1.6999 1.7442 1.7442 2.0022 2.0022 2.1484 2.1484 2.3186 2.3186 5.4510 5.4510 6.4755 6.4755 6.7031 6.7031 7.4652 7.4652 8.0549 8.0549 9.6935 9.6935 10.0624 10.0624 11.4881 11.4881 12.7102 12.7102 k = 0.0000 0.0000 1.2473 ( 2476 PWs) bands (ev): 1.6991 1.6991 1.7439 1.7439 2.0016 2.0016 2.1481 2.1481 2.3205 2.3205 5.4774 5.4774 6.4629 6.4629 6.6745 6.6745 7.4577 7.4577 8.0514 8.0514 9.7426 9.7426 10.0445 10.0445 11.5199 11.5199 12.6873 12.6873 k = 0.0000 0.0000 1.2665 ( 2472 PWs) bands (ev): 1.6986 1.6986 1.7437 1.7437 2.0013 2.0013 2.1480 2.1480 2.3220 2.3220 5.4970 5.4970 6.4539 6.4539 6.6533 6.6533 7.4523 7.4523 8.0490 8.0490 9.7824 9.7824 10.0279 10.0279 11.5429 11.5429 12.6700 12.6700 k = 0.0000 0.0000 1.2857 ( 2470 PWs) bands (ev): 1.6982 1.6982 1.7436 1.7436 2.0011 2.0011 2.1479 2.1479 2.3229 2.3229 5.5091 5.5091 6.4485 6.4485 6.6402 6.6402 7.4491 7.4491 8.0475 8.0475 9.8093 9.8093 10.0152 10.0152 11.5568 11.5568 12.6593 12.6593 k = 0.0000 0.0000 1.3049 ( 2466 PWs) bands (ev): 1.6981 1.6981 1.7436 1.7436 2.0011 2.0011 2.1478 2.1478 2.3232 2.3232 5.5132 5.5132 6.4467 6.4467 6.6357 6.6357 7.4480 7.4480 8.0470 8.0470 9.8191 9.8191 10.0101 10.0101 11.5615 11.5615 12.6557 12.6557 k = 0.0000 0.0000 1.3049 ( 2466 PWs) bands (ev): 1.6981 1.6981 1.7436 1.7436 2.0011 2.0011 2.1478 2.1478 2.3232 2.3232 5.5132 5.5132 6.4467 6.4467 6.6357 6.6357 7.4480 7.4480 8.0470 8.0470 9.8191 9.8191 10.0101 10.0101 11.5615 11.5615 12.6557 12.6557 k =-0.0072 0.0173 1.3049 ( 2476 PWs) bands (ev): 1.6982 1.6982 1.7436 1.7436 2.0010 2.0010 2.1478 2.1478 2.3229 2.3229 5.5133 5.5133 6.4478 6.4478 6.6371 6.6371 7.4420 7.4420 8.0470 8.0470 9.8245 9.8245 10.0079 10.0079 11.5604 11.5604 12.6577 12.6577 k =-0.0143 0.0346 1.3049 ( 2480 PWs) bands (ev): 1.6986 1.6986 1.7437 1.7437 2.0013 2.0013 2.1479 2.1479 2.3220 2.3220 5.5135 5.5135 6.4510 6.4510 6.6411 6.6411 7.4244 7.4244 8.0469 8.0469 9.8405 9.8405 10.0011 10.0011 11.5572 11.5572 12.6638 12.6638 k =-0.0215 0.0519 1.3049 ( 2480 PWs) bands (ev): 1.6993 1.6993 1.7441 1.7441 2.0019 2.0019 2.1481 2.1481 2.3206 2.3206 5.5136 5.5136 6.4562 6.4562 6.6478 6.6478 7.3961 7.3961 8.0468 8.0468 9.8658 9.8658 9.9900 9.9900 11.5518 11.5518 12.6739 12.6739 k =-0.0287 0.0691 1.3049 ( 2476 PWs) bands (ev): 1.7003 1.7003 1.7445 1.7445 2.0027 2.0027 2.1484 2.1484 2.3188 2.3188 5.5135 5.5135 6.4636 6.4636 6.6571 6.6571 7.3584 7.3584 8.0466 8.0466 9.8989 9.8989 9.9751 9.9751 11.5443 11.5443 12.6881 12.6881 k =-0.0359 0.0864 1.3049 ( 2476 PWs) bands (ev): 1.7015 1.7015 1.7451 1.7451 2.0036 2.0036 2.1488 2.1488 2.3163 2.3163 5.5128 5.5128 6.4729 6.4729 6.6691 6.6691 7.3133 7.3133 8.0464 8.0464 9.9329 9.9329 9.9612 9.9612 11.5346 11.5346 12.7065 12.7065 k =-0.0430 0.1037 1.3049 ( 2476 PWs) bands (ev): 1.7029 1.7029 1.7458 1.7458 2.0048 2.0048 2.1492 2.1492 2.3133 2.3133 5.5110 5.5110 6.4842 6.4842 6.6838 6.6838 7.2625 7.2625 8.0461 8.0461 9.9254 9.9254 9.9892 9.9892 11.5227 11.5227 12.7287 12.7287 k =-0.0430 0.1037 1.3049 ( 2476 PWs) bands (ev): 1.7029 1.7029 1.7458 1.7458 2.0048 2.0048 2.1492 2.1492 2.3133 2.3133 5.5110 5.5110 6.4842 6.4842 6.6838 6.6838 7.2625 7.2625 8.0461 8.0461 9.9254 9.9254 9.9892 9.9892 11.5227 11.5227 12.7287 12.7287 k =-0.0482 0.1162 1.2913 ( 2478 PWs) bands (ev): 1.7042 1.7042 1.7463 1.7463 2.0058 2.0058 2.1495 2.1495 2.3107 2.3107 5.5069 5.5069 6.4944 6.4944 6.6981 6.6981 7.2238 7.2238 8.0461 8.0461 9.8996 9.8996 10.0267 10.0267 11.5104 11.5104 12.7480 12.7480 k =-0.0534 0.1287 1.2778 ( 2478 PWs) bands (ev): 1.7057 1.7057 1.7470 1.7470 2.0069 2.0069 2.1499 2.1499 2.3076 2.3076 5.4983 5.4983 6.5074 6.5074 6.7180 6.7180 7.1844 7.1844 8.0463 8.0463 9.8655 9.8655 10.0666 10.0666 11.4925 11.4925 12.7670 12.7670 k =-0.0586 0.1413 1.2642 ( 2477 PWs) bands (ev): 1.7074 1.7074 1.7478 1.7478 2.0083 2.0083 2.1503 2.1503 2.3040 2.3040 5.4853 5.4853 6.5232 6.5232 6.7430 6.7430 7.1447 7.1447 8.0467 8.0467 9.8269 9.8269 10.1047 10.1047 11.4690 11.4690 12.7517 12.7517 k =-0.0638 0.1538 1.2507 ( 2475 PWs) bands (ev): 1.7092 1.7092 1.7487 1.7487 2.0099 2.0099 2.1509 2.1509 2.2998 2.2998 5.4684 5.4684 6.5416 6.5416 6.7729 6.7729 7.1052 7.1052 8.0471 8.0471 9.7847 9.7847 10.1397 10.1397 11.4400 11.4400 12.6778 12.6778 k =-0.0690 0.1663 1.2371 ( 2477 PWs) bands (ev): 1.7112 1.7112 1.7496 1.7496 2.0115 2.0115 2.1514 2.1514 2.2951 2.2951 5.4477 5.4477 6.5627 6.5627 6.8069 6.8069 7.0665 7.0665 8.0474 8.0474 9.7393 9.7393 10.1709 10.1709 11.4057 11.4057 12.5838 12.5838 k =-0.0742 0.1788 1.2236 ( 2479 PWs) bands (ev): 1.7134 1.7134 1.7505 1.7505 2.0134 2.0134 2.1519 2.1519 2.2900 2.2900 5.4238 5.4238 6.5864 6.5864 6.8438 6.8438 7.0296 7.0296 8.0474 8.0474 9.6912 9.6912 10.1979 10.1979 11.3662 11.3662 12.4812 12.4812 k =-0.0794 0.1913 1.2100 ( 2477 PWs) bands (ev): 1.7157 1.7157 1.7516 1.7516 2.0154 2.0154 2.1525 2.1525 2.2844 2.2844 5.3970 5.3970 6.6127 6.6127 6.8805 6.8805 6.9975 6.9975 8.0470 8.0470 9.6408 9.6408 10.2201 10.2201 11.3217 11.3217 12.3745 12.3746 k =-0.0846 0.2039 1.1965 ( 2477 PWs) bands (ev): 1.7181 1.7181 1.7527 1.7527 2.0175 2.0175 2.1531 2.1531 2.2784 2.2784 5.3677 5.3677 6.6414 6.6414 6.9024 6.9024 6.9846 6.9846 8.0458 8.0458 9.5886 9.5886 10.2372 10.2372 11.2723 11.2723 12.2670 12.2670 k =-0.0898 0.2164 1.1829 ( 2479 PWs) bands (ev): 1.7205 1.7205 1.7538 1.7538 2.0198 2.0198 2.1537 2.1537 2.2721 2.2721 5.3363 5.3363 6.6725 6.6725 6.8883 6.8883 7.0116 7.0116 8.0438 8.0438 9.5350 9.5350 10.2490 10.2490 11.2185 11.2185 12.1608 12.1608 k =-0.0950 0.2289 1.1693 ( 2479 PWs) bands (ev): 1.7231 1.7231 1.7550 1.7550 2.0222 2.0222 2.1542 2.1542 2.2654 2.2654 5.3031 5.3031 6.7058 6.7058 6.8579 6.8579 7.0588 7.0588 8.0407 8.0407 9.4805 9.4805 10.2556 10.2556 11.1607 11.1607 12.0574 12.0574 k =-0.1001 0.2414 1.1558 ( 2483 PWs) bands (ev): 1.7256 1.7256 1.7562 1.7562 2.0247 2.0247 2.1547 2.1547 2.2584 2.2584 5.2685 5.2685 6.7412 6.7412 6.8242 6.8242 7.1129 7.1129 8.0362 8.0362 9.4256 9.4256 10.2568 10.2568 11.0993 11.0993 11.9577 11.9577 k =-0.1053 0.2539 1.1422 ( 2481 PWs) bands (ev): 1.7282 1.7282 1.7574 1.7574 2.0274 2.0274 2.1551 2.1551 2.2513 2.2513 5.2327 5.2327 6.7760 6.7760 6.7925 6.7925 7.1709 7.1709 8.0303 8.0303 9.3707 9.3707 10.2530 10.2530 11.0352 11.0352 11.8625 11.8625 k =-0.1105 0.2664 1.1287 ( 2487 PWs) bands (ev): 1.7306 1.7306 1.7586 1.7586 2.0300 2.0300 2.1553 2.1553 2.2440 2.2440 5.1961 5.1961 6.7534 6.7534 6.8199 6.8199 7.2318 7.2318 8.0226 8.0226 9.3162 9.3162 10.2445 10.2445 10.9692 10.9692 11.7718 11.7718 k =-0.1157 0.2790 1.1151 ( 2489 PWs) bands (ev): 1.7330 1.7330 1.7598 1.7598 2.0328 2.0328 2.1554 2.1554 2.2368 2.2368 5.1589 5.1589 6.7191 6.7191 6.8609 6.8609 7.2951 7.2951 8.0130 8.0130 9.2624 9.2624 10.2316 10.2316 10.9022 10.9022 11.6857 11.6857 k =-0.1209 0.2915 1.1016 ( 2493 PWs) bands (ev): 1.7353 1.7353 1.7610 1.7610 2.0356 2.0356 2.1552 2.1552 2.2296 2.2296 5.1213 5.1213 6.6846 6.6846 6.9037 6.9037 7.3606 7.3606 8.0015 8.0015 9.2099 9.2099 10.2148 10.2148 10.8354 10.8354 11.6038 11.6038 k =-0.1261 0.3040 1.0880 ( 2493 PWs) bands (ev): 1.7375 1.7375 1.7622 1.7622 2.0385 2.0385 2.1547 2.1547 2.2228 2.2228 5.0836 5.0836 6.6502 6.6502 6.9479 6.9479 7.4279 7.4279 7.9880 7.9880 9.1588 9.1588 10.1946 10.1946 10.7696 10.7696 11.5258 11.5258 k =-0.1313 0.3165 1.0745 ( 2495 PWs) bands (ev): 1.7395 1.7395 1.7632 1.7632 2.0414 2.0414 2.1537 2.1537 2.2164 2.2164 5.0459 5.0459 6.6159 6.6159 6.9930 6.9930 7.4969 7.4969 7.9728 7.9728 9.1097 9.1097 10.1717 10.1717 10.7059 10.7059 11.4512 11.4512 k =-0.1365 0.3290 1.0609 ( 2493 PWs) bands (ev): 1.7414 1.7414 1.7643 1.7643 2.0444 2.0444 2.1522 2.1522 2.2106 2.2106 5.0085 5.0085 6.5815 6.5815 7.0386 7.0386 7.5673 7.5673 7.9559 7.9559 9.0627 9.0627 10.1466 10.1466 10.6449 10.6449 11.3796 11.3796 k =-0.1417 0.3415 1.0474 ( 2493 PWs) bands (ev): 1.7430 1.7430 1.7652 1.7652 2.0473 2.0473 2.1499 2.1499 2.2056 2.2056 4.9714 4.9714 6.5472 6.5472 7.0841 7.0841 7.6387 7.6387 7.9380 7.9380 9.0181 9.0181 10.1197 10.1197 10.5875 10.5875 11.3104 11.3104 k =-0.1469 0.3541 1.0338 ( 2495 PWs) bands (ev): 1.7445 1.7445 1.7659 1.7659 2.0502 2.0502 2.1469 2.1469 2.2016 2.2016 4.9349 4.9349 6.5128 6.5128 7.1287 7.1287 7.7111 7.7111 7.9198 7.9198 8.9763 8.9763 10.0918 10.0918 10.5341 10.5341 11.2434 11.2434 k =-0.1521 0.3666 1.0203 ( 2493 PWs) bands (ev): 1.7457 1.7457 1.7665 1.7665 2.0531 2.0531 2.1432 2.1432 2.1986 2.1986 4.8990 4.8990 6.4784 6.4784 7.1715 7.1715 7.7839 7.7839 7.9023 7.9023 8.9374 8.9374 10.0632 10.0632 10.4849 10.4849 11.1781 11.1781 k =-0.1573 0.3791 1.0067 ( 2492 PWs) bands (ev): 1.7468 1.7468 1.7668 1.7668 2.0558 2.0558 2.1389 2.1389 2.1965 2.1965 4.8639 4.8639 6.4440 6.4440 7.2111 7.2111 7.8560 7.8560 7.8880 7.8880 8.9018 8.9018 10.0344 10.0344 10.4402 10.4402 11.1142 11.1142 k =-0.1625 0.3916 0.9932 ( 2494 PWs) bands (ev): 1.7476 1.7476 1.7669 1.7669 2.0584 2.0584 2.1343 2.1343 2.1951 2.1951 4.8296 4.8296 6.4098 6.4098 7.2457 7.2457 7.8742 7.8742 7.9313 7.9313 8.8698 8.8698 10.0058 10.0058 10.3999 10.3999 11.0514 11.0514 k =-0.1677 0.4041 0.9796 ( 2494 PWs) bands (ev): 1.7482 1.7482 1.7668 1.7668 2.0609 2.0609 2.1295 2.1295 2.1945 2.1945 4.7963 4.7963 6.3757 6.3757 7.2735 7.2735 7.8695 7.8695 8.0029 8.0029 8.8418 8.8418 9.9777 9.9777 10.3640 10.3640 10.9896 10.9896 k =-0.1728 0.4167 0.9661 ( 2494 PWs) bands (ev): 1.7486 1.7486 1.7664 1.7664 2.0632 2.0632 2.1248 2.1248 2.1943 2.1943 4.7641 4.7641 6.3419 6.3419 7.2924 7.2924 7.8728 7.8728 8.0732 8.0732 8.8184 8.8184 9.9506 9.9506 10.3321 10.3321 10.9286 10.9286 k =-0.1780 0.4292 0.9525 ( 2496 PWs) bands (ev): 1.7488 1.7488 1.7657 1.7657 2.0652 2.0652 2.1203 2.1203 2.1944 2.1944 4.7330 4.7330 6.3086 6.3086 7.3012 7.3012 7.8860 7.8860 8.1409 8.1409 8.8003 8.8003 9.9245 9.9245 10.3041 10.3041 10.8683 10.8683 k =-0.1832 0.4417 0.9390 ( 2494 PWs) bands (ev): 1.7487 1.7487 1.7648 1.7648 2.0670 2.0670 2.1164 2.1164 2.1948 2.1948 4.7031 4.7031 6.2759 6.2759 7.2999 7.2999 7.9095 7.9095 8.2045 8.2045 8.7888 8.7888 9.8997 9.8997 10.2796 10.2796 10.8084 10.8084 k =-0.1884 0.4542 0.9254 ( 2492 PWs) bands (ev): 1.7484 1.7484 1.7638 1.7638 2.0684 2.0684 2.1129 2.1129 2.1955 2.1955 4.6744 4.6744 6.2439 6.2439 7.2894 7.2894 7.9425 7.9425 8.2621 8.2621 8.7852 8.7852 9.8764 9.8764 10.2582 10.2582 10.7491 10.7491 k =-0.1936 0.4667 0.9119 ( 2494 PWs) bands (ev): 1.7479 1.7479 1.7625 1.7625 2.0694 2.0694 2.1101 2.1101 2.1963 2.1963 4.6471 4.6471 6.2129 6.2129 7.2717 7.2717 7.9834 7.9834 8.3117 8.3117 8.7914 8.7914 9.8546 9.8546 10.2396 10.2396 10.6902 10.6902 k =-0.1988 0.4792 0.8983 ( 2487 PWs) bands (ev): 1.7470 1.7470 1.7612 1.7612 2.0700 2.0700 2.1081 2.1081 2.1972 2.1972 4.6212 4.6212 6.1829 6.1829 7.2487 7.2487 8.0303 8.0303 8.3513 8.3513 8.8087 8.8087 9.8344 9.8344 10.2235 10.2235 10.6318 10.6318 k =-0.2040 0.4918 0.8848 ( 2487 PWs) bands (ev): 1.7459 1.7459 1.7599 1.7599 2.0703 2.0703 2.1066 2.1066 2.1982 2.1982 4.5967 4.5967 6.1542 6.1542 7.2224 7.2224 8.0815 8.0815 8.3801 8.3801 8.8375 8.8375 9.8158 9.8158 10.2095 10.2095 10.5741 10.5741 k =-0.2092 0.5043 0.8712 ( 2483 PWs) bands (ev): 1.7445 1.7445 1.7587 1.7587 2.0703 2.0703 2.1057 2.1057 2.1992 2.1992 4.5738 4.5738 6.1269 6.1269 7.1942 7.1942 8.1355 8.1355 8.3990 8.3990 8.8766 8.8766 9.7989 9.7989 10.1973 10.1973 10.5172 10.5172 k =-0.2144 0.5168 0.8576 ( 2480 PWs) bands (ev): 1.7427 1.7427 1.7576 1.7576 2.0701 2.0701 2.1054 2.1054 2.2003 2.2003 4.5524 4.5524 6.1012 6.1012 7.1654 7.1654 8.1909 8.1909 8.4100 8.4100 8.9233 8.9233 9.7835 9.7835 10.1865 10.1865 10.4613 10.4613 k =-0.2196 0.5293 0.8441 ( 2480 PWs) bands (ev): 1.7407 1.7407 1.7567 1.7567 2.0696 2.0696 2.1053 2.1053 2.2013 2.2013 4.5327 4.5327 6.0772 6.0772 7.1368 7.1368 8.2465 8.2465 8.4155 8.4155 8.9749 8.9749 9.7696 9.7696 10.1770 10.1770 10.4068 10.4068 k =-0.2248 0.5418 0.8305 ( 2476 PWs) bands (ev): 1.7385 1.7385 1.7559 1.7559 2.0692 2.0692 2.1056 2.1056 2.2023 2.2023 4.5147 4.5147 6.0551 6.0551 7.1093 7.1093 8.3011 8.3011 8.4178 8.4178 9.0286 9.0286 9.7571 9.7571 10.1683 10.1683 10.3544 10.3544 k =-0.2300 0.5543 0.8170 ( 2476 PWs) bands (ev): 1.7363 1.7363 1.7552 1.7552 2.0687 2.0687 2.1060 2.1060 2.2032 2.2032 4.4984 4.4984 6.0350 6.0350 7.0835 7.0835 8.3521 8.3521 8.4199 8.4199 9.0823 9.0823 9.7459 9.7459 10.1600 10.1600 10.3047 10.3047 k =-0.2352 0.5669 0.8034 ( 2472 PWs) bands (ev): 1.7342 1.7342 1.7546 1.7546 2.0682 2.0682 2.1065 2.1065 2.2041 2.2041 4.4839 4.4839 6.0170 6.0170 7.0598 7.0598 8.3898 8.3898 8.4315 8.4315 9.1342 9.1342 9.7360 9.7360 10.1514 10.1514 10.2591 10.2591 k =-0.2404 0.5794 0.7899 ( 2472 PWs) bands (ev): 1.7321 1.7321 1.7541 1.7541 2.0678 2.0678 2.1070 2.1070 2.2049 2.2049 4.4712 4.4712 6.0012 6.0012 7.0386 7.0386 8.3999 8.3999 8.4667 8.4667 9.1828 9.1828 9.7271 9.7271 10.1410 10.1410 10.2198 10.2198 k =-0.2455 0.5919 0.7763 ( 2478 PWs) bands (ev): 1.7302 1.7302 1.7537 1.7537 2.0675 2.0675 2.1074 2.1074 2.2056 2.2056 4.4604 4.4604 5.9877 5.9877 7.0202 7.0202 8.3998 8.3998 8.5074 8.5074 9.2268 9.2268 9.7194 9.7194 10.1258 10.1258 10.1904 10.1904 k =-0.2507 0.6044 0.7628 ( 2480 PWs) bands (ev): 1.7286 1.7286 1.7534 1.7534 2.0672 2.0672 2.1078 2.1078 2.2061 2.2061 4.4515 4.4515 5.9766 5.9766 7.0049 7.0049 8.3981 8.3981 8.5443 8.5443 9.2648 9.2648 9.7128 9.7128 10.1049 10.1049 10.1728 10.1728 k =-0.2559 0.6169 0.7492 ( 2482 PWs) bands (ev): 1.7273 1.7273 1.7531 1.7531 2.0670 2.0670 2.1082 2.1082 2.2066 2.2066 4.4446 4.4446 5.9678 5.9678 6.9928 6.9928 8.3962 8.3962 8.5749 8.5749 9.2959 9.2959 9.7074 9.7074 10.0828 10.0828 10.1636 10.1636 k =-0.2611 0.6295 0.7357 ( 2486 PWs) bands (ev): 1.7263 1.7263 1.7529 1.7529 2.0668 2.0668 2.1084 2.1084 2.2069 2.2069 4.4396 4.4396 5.9616 5.9616 6.9840 6.9840 8.3947 8.3947 8.5978 8.5978 9.3190 9.3190 9.7033 9.7033 10.0644 10.0644 10.1588 10.1588 k =-0.2663 0.6420 0.7221 ( 2480 PWs) bands (ev): 1.7258 1.7258 1.7528 1.7528 2.0668 2.0668 2.1086 2.1086 2.2072 2.2072 4.4366 4.4366 5.9578 5.9578 6.9787 6.9787 8.3937 8.3937 8.6120 8.6120 9.3333 9.3333 9.7007 9.7007 10.0525 10.0525 10.1563 10.1563 k =-0.2715 0.6545 0.7086 ( 2481 PWs) bands (ev): 1.7255 1.7255 1.7527 1.7527 2.0667 2.0667 2.1087 2.1087 2.2073 2.2073 4.4356 4.4356 5.9565 5.9565 6.9770 6.9770 8.3934 8.3934 8.6168 8.6168 9.3381 9.3381 9.6998 9.6998 10.0484 10.0484 10.1555 10.1555 k =-0.2715 0.6545 0.7086 ( 2481 PWs) bands (ev): 1.7255 1.7255 1.7527 1.7527 2.0667 2.0667 2.1087 2.1087 2.2073 2.2073 4.4356 4.4356 5.9565 5.9565 6.9770 6.9770 8.3934 8.3934 8.6168 8.6168 9.3381 9.3381 9.6998 9.6998 10.0484 10.0484 10.1555 10.1555 k =-0.2663 0.6419 0.6949 ( 2477 PWs) bands (ev): 1.7257 1.7257 1.7529 1.7529 2.0666 2.0666 2.1089 2.1089 2.2084 2.2084 4.4968 4.4968 5.8525 5.8525 7.0146 7.0146 8.4288 8.4288 8.6117 8.6117 9.3828 9.3828 9.6813 9.6813 10.0334 10.0334 10.1182 10.1182 k =-0.2611 0.6293 0.6813 ( 2477 PWs) bands (ev): 1.7259 1.7259 1.7532 1.7532 2.0666 2.0666 2.1092 2.1092 2.2093 2.2093 4.5510 4.5510 5.7559 5.7559 7.0460 7.0460 8.4636 8.4636 8.6093 8.6093 9.4281 9.4281 9.6651 9.6651 10.0182 10.0182 10.0846 10.0846 k =-0.2558 0.6167 0.6677 ( 2481 PWs) bands (ev): 1.7260 1.7260 1.7536 1.7536 2.0666 2.0666 2.1095 2.1095 2.2100 2.2100 4.5947 4.5947 5.6704 5.6704 7.0712 7.0712 8.4976 8.4976 8.6091 8.6091 9.4737 9.4737 9.6513 9.6513 10.0004 10.0004 10.0577 10.0577 k =-0.2506 0.6041 0.6541 ( 2489 PWs) bands (ev): 1.7261 1.7261 1.7542 1.7542 2.0668 2.0668 2.1098 2.1098 2.2104 2.2104 4.6234 4.6234 5.6006 5.6006 7.0905 7.0905 8.5296 8.5296 8.6110 8.6110 9.5190 9.5190 9.6405 9.6405 9.9776 9.9776 10.0402 10.0402 k =-0.2454 0.5916 0.6404 ( 2489 PWs) bands (ev): 1.7263 1.7263 1.7550 1.7550 2.0671 2.0671 2.1103 2.1103 2.2106 2.2106 4.6323 4.6323 5.5517 5.5517 7.1044 7.1044 8.5573 8.5573 8.6167 8.6167 9.5626 9.5626 9.6339 9.6339 9.9514 9.9514 10.0308 10.0308 k =-0.2402 0.5790 0.6268 ( 2491 PWs) bands (ev): 1.7265 1.7265 1.7559 1.7559 2.0674 2.0674 2.1108 2.1108 2.2106 2.2106 4.6174 4.6174 5.5277 5.5277 7.1132 7.1132 8.5745 8.5745 8.6310 8.6310 9.5972 9.5972 9.6382 9.6382 9.9248 9.9248 10.0268 10.0268 k =-0.2350 0.5664 0.6132 ( 2481 PWs) bands (ev): 1.7269 1.7269 1.7571 1.7571 2.0680 2.0680 2.1115 2.1115 2.2103 2.2103 4.5782 4.5782 5.5291 5.5291 7.1175 7.1175 8.5786 8.5786 8.6559 8.6559 9.6081 9.6081 9.6683 9.6683 9.8998 9.8998 10.0264 10.0264 k =-0.2297 0.5538 0.5996 ( 2481 PWs) bands (ev): 1.7271 1.7271 1.7583 1.7583 2.0686 2.0686 2.1122 2.1122 2.2099 2.2099 4.5178 4.5178 5.5530 5.5530 7.1175 7.1175 8.5743 8.5743 8.6858 8.6858 9.6097 9.6097 9.7091 9.7091 9.8771 9.8771 10.0289 10.0289 k =-0.2245 0.5412 0.5859 ( 2477 PWs) bands (ev): 1.7273 1.7273 1.7597 1.7597 2.0693 2.0693 2.1130 2.1130 2.2092 2.2092 4.4414 4.4414 5.5943 5.5943 7.1137 7.1137 8.5644 8.5644 8.7173 8.7173 9.6116 9.6116 9.7509 9.7509 9.8570 9.8570 10.0339 10.0339 k =-0.2193 0.5286 0.5723 ( 2477 PWs) bands (ev): 1.7276 1.7276 1.7612 1.7612 2.0701 2.0701 2.1138 2.1138 2.2083 2.2083 4.3538 4.3538 5.6482 5.6482 7.1064 7.1064 8.5498 8.5498 8.7491 8.7491 9.6155 9.6155 9.7915 9.7915 9.8395 9.8395 10.0413 10.0413 k =-0.2141 0.5160 0.5587 ( 2481 PWs) bands (ev): 1.7278 1.7278 1.7628 1.7628 2.0709 2.0709 2.1146 2.1146 2.2072 2.2072 4.2589 4.2589 5.7110 5.7110 7.0959 7.0959 8.5310 8.5310 8.7806 8.7806 9.6216 9.6216 9.8224 9.8224 9.8323 9.8323 10.0508 10.0508 k =-0.2089 0.5035 0.5451 ( 2477 PWs) bands (ev): 1.7280 1.7280 1.7646 1.7646 2.0719 2.0719 2.1156 2.1156 2.2059 2.2059 4.1594 4.1594 5.7799 5.7799 7.0825 7.0825 8.5080 8.5080 8.8117 8.8117 9.6301 9.6301 9.8105 9.8105 9.8678 9.8678 10.0623 10.0623 k =-0.2036 0.4909 0.5314 ( 2471 PWs) bands (ev): 1.7282 1.7282 1.7664 1.7664 2.0729 2.0729 2.1166 2.1166 2.2045 2.2045 4.0572 4.0572 5.8531 5.8531 7.0662 7.0662 8.4813 8.4813 8.8420 8.8420 9.6408 9.6408 9.7994 9.7994 9.9020 9.9020 10.0757 10.0757 k =-0.1984 0.4783 0.5178 ( 2475 PWs) bands (ev): 1.7284 1.7284 1.7683 1.7683 2.0739 2.0739 2.1176 2.1176 2.2028 2.2028 3.9537 3.9537 5.9294 5.9294 7.0472 7.0472 8.4512 8.4512 8.8715 8.8715 9.6537 9.6537 9.7900 9.7900 9.9336 9.9336 10.0908 10.0908 k =-0.1932 0.4657 0.5042 ( 2467 PWs) bands (ev): 1.7285 1.7285 1.7703 1.7703 2.0750 2.0750 2.1188 2.1188 2.2011 2.2011 3.8496 3.8496 6.0077 6.0077 7.0255 7.0255 8.4181 8.4181 8.8998 8.8998 9.6683 9.6683 9.7826 9.7826 9.9623 9.9623 10.1074 10.1074 k =-0.1880 0.4531 0.4906 ( 2469 PWs) bands (ev): 1.7286 1.7286 1.7722 1.7722 2.0761 2.0761 2.1199 2.1199 2.1992 2.1992 3.7458 3.7458 6.0874 6.0874 7.0013 7.0013 8.3823 8.3823 8.9270 8.9270 9.6839 9.6839 9.7776 9.7776 9.9881 9.9881 10.1250 10.1250 k =-0.1827 0.4405 0.4769 ( 2471 PWs) bands (ev): 1.7286 1.7286 1.7742 1.7742 2.0771 2.0771 2.1211 2.1211 2.1972 2.1972 3.6426 3.6426 6.1680 6.1680 6.9746 6.9746 8.3443 8.3443 8.9527 8.9527 9.6990 9.6990 9.7765 9.7765 10.0112 10.0112 10.1435 10.1435 k =-0.1775 0.4279 0.4633 ( 2471 PWs) bands (ev): 1.7286 1.7286 1.7761 1.7761 2.0781 2.0781 2.1222 2.1222 2.1953 2.1953 3.5406 3.5406 6.2492 6.2492 6.9454 6.9454 8.3044 8.3044 8.9769 8.9769 9.7111 9.7111 9.7819 9.7819 10.0316 10.0316 10.1626 10.1626 k =-0.1723 0.4154 0.4497 ( 2473 PWs) bands (ev): 1.7285 1.7285 1.7780 1.7780 2.0791 2.0791 2.1234 2.1234 2.1933 2.1933 3.4400 3.4400 6.3304 6.3304 6.9138 6.9138 8.2629 8.2629 8.9994 8.9994 9.7180 9.7180 9.7959 9.7959 10.0494 10.0494 10.1820 10.1820 k =-0.1671 0.4028 0.4360 ( 2477 PWs) bands (ev): 1.7283 1.7283 1.7798 1.7798 2.0801 2.0801 2.1245 2.1245 2.1914 2.1914 3.3410 3.3410 6.4114 6.4114 6.8798 6.8798 8.2201 8.2201 9.0201 9.0201 9.7207 9.7207 9.8178 9.8178 10.0650 10.0650 10.2017 10.2017 k =-0.1619 0.3902 0.4224 ( 2473 PWs) bands (ev): 1.7281 1.7281 1.7816 1.7816 2.0810 2.0810 2.1256 2.1256 2.1896 2.1896 3.2439 3.2439 6.4920 6.4920 6.8435 6.8435 8.1762 8.1762 9.0387 9.0387 9.7219 9.7219 9.8450 9.8450 10.0785 10.0785 10.2215 10.2215 k =-0.1566 0.3776 0.4088 ( 2469 PWs) bands (ev): 1.7278 1.7278 1.7833 1.7833 2.0819 2.0819 2.1265 2.1265 2.1881 2.1881 3.1489 3.1489 6.5718 6.5718 6.8049 6.8049 8.1314 8.1314 9.0553 9.0553 9.7234 9.7234 9.8760 9.8760 10.0901 10.0901 10.2414 10.2414 k =-0.1514 0.3650 0.3952 ( 2473 PWs) bands (ev): 1.7275 1.7275 1.7847 1.7847 2.0827 2.0827 2.1272 2.1272 2.1867 2.1867 3.0561 3.0561 6.6504 6.6504 6.7644 6.7644 8.0861 8.0861 9.0697 9.0697 9.7262 9.7262 9.9099 9.9099 10.1004 10.1004 10.2615 10.2615 k =-0.1462 0.3524 0.3815 ( 2471 PWs) bands (ev): 1.7270 1.7270 1.7861 1.7861 2.0835 2.0835 2.1278 2.1278 2.1856 2.1856 2.9658 2.9658 6.7191 6.7191 6.7305 6.7305 8.0402 8.0402 9.0819 9.0819 9.7309 9.7309 9.9460 9.9460 10.1100 10.1100 10.2816 10.2816 k =-0.1410 0.3398 0.3679 ( 2477 PWs) bands (ev): 1.7265 1.7265 1.7871 1.7871 2.0841 2.0841 2.1279 2.1279 2.1848 2.1848 2.8779 2.8779 6.6769 6.6769 6.8039 6.8039 7.9941 7.9941 9.0919 9.0919 9.7380 9.7380 9.9838 9.9838 10.1196 10.1196 10.3016 10.3016 k =-0.1358 0.3272 0.3543 ( 2465 PWs) bands (ev): 1.7260 1.7260 1.7880 1.7880 2.0847 2.0847 2.1280 2.1280 2.1845 2.1845 2.7928 2.7928 6.6309 6.6309 6.8776 6.8776 7.9479 7.9479 9.0999 9.0999 9.7478 9.7478 10.0225 10.0225 10.1305 10.1305 10.3215 10.3215 k =-0.1305 0.3147 0.3407 ( 2457 PWs) bands (ev): 1.7253 1.7253 1.7886 1.7886 2.0852 2.0852 2.1275 2.1275 2.1847 2.1847 2.7106 2.7106 6.5835 6.5835 6.9490 6.9490 7.9018 7.9018 9.1060 9.1060 9.7605 9.7605 10.0606 10.0606 10.1447 10.1447 10.3410 10.3410 k =-0.1253 0.3021 0.3270 ( 2449 PWs) bands (ev): 1.7246 1.7246 1.7890 1.7890 2.0855 2.0855 2.1267 2.1267 2.1852 2.1852 2.6314 2.6314 6.5349 6.5349 7.0177 7.0177 7.8560 7.8560 9.1105 9.1105 9.7763 9.7763 10.0949 10.0949 10.1657 10.1657 10.3601 10.3601 k =-0.1201 0.2895 0.3134 ( 2449 PWs) bands (ev): 1.7237 1.7237 1.7889 1.7889 2.0855 2.0855 2.1253 2.1253 2.1861 2.1861 2.5555 2.5555 6.4854 6.4854 7.0833 7.0833 7.8107 7.8107 9.1136 9.1136 9.7951 9.7951 10.1222 10.1222 10.1971 10.1971 10.3786 10.3786 k =-0.1149 0.2769 0.2998 ( 2453 PWs) bands (ev): 1.7228 1.7228 1.7884 1.7884 2.0851 2.0851 2.1234 2.1234 2.1873 2.1873 2.4833 2.4833 6.4353 6.4353 7.1455 7.1455 7.7660 7.7660 9.1158 9.1158 9.8171 9.8171 10.1439 10.1439 10.2379 10.2379 10.3964 10.3964 k =-0.1096 0.2643 0.2862 ( 2447 PWs) bands (ev): 1.7217 1.7217 1.7876 1.7876 2.0841 2.0841 2.1211 2.1211 2.1890 2.1890 2.4151 2.4151 6.3849 6.3849 7.2039 7.2039 7.7222 7.7222 9.1175 9.1175 9.8422 9.8422 10.1641 10.1641 10.2844 10.2844 10.4135 10.4135 k =-0.1044 0.2517 0.2725 ( 2443 PWs) bands (ev): 1.7205 1.7205 1.7863 1.7863 2.0820 2.0820 2.1183 2.1183 2.1908 2.1908 2.3519 2.3519 6.3344 6.3344 7.2581 7.2581 7.6794 7.6794 9.1191 9.1191 9.8702 9.8702 10.1853 10.1853 10.3341 10.3341 10.4298 10.4298 k =-0.0992 0.2391 0.2589 ( 2439 PWs) bands (ev): 1.7192 1.7192 1.7845 1.7845 2.0774 2.0774 2.1150 2.1150 2.1929 2.1929 2.2947 2.2947 6.2841 6.2841 7.3079 7.3079 7.6379 7.6379 9.1212 9.1212 9.9010 9.9010 10.2087 10.2087 10.3860 10.3860 10.4455 10.4455 k =-0.0940 0.2266 0.2453 ( 2439 PWs) bands (ev): 1.7177 1.7177 1.7821 1.7821 2.0683 2.0683 2.1117 2.1117 2.1950 2.1950 2.2458 2.2458 6.2344 6.2344 7.3529 7.3529 7.5977 7.5977 9.1239 9.1239 9.9345 9.9345 10.2349 10.2349 10.4387 10.4387 10.4611 10.4611 k =-0.0888 0.2140 0.2316 ( 2443 PWs) bands (ev): 1.7160 1.7160 1.7789 1.7789 2.0516 2.0516 2.1089 2.1089 2.1965 2.1965 2.2083 2.2083 6.1856 6.1856 7.3929 7.3929 7.5593 7.5593 9.1277 9.1277 9.9703 9.9703 10.2644 10.2644 10.4718 10.4718 10.4970 10.4970 k =-0.0835 0.2014 0.2180 ( 2451 PWs) bands (ev): 1.7140 1.7140 1.7749 1.7749 2.0261 2.0261 2.1071 2.1071 2.1805 2.1805 2.2003 2.2003 6.1378 6.1378 7.4275 7.4275 7.5229 7.5229 9.1327 9.1327 10.0083 10.0083 10.2973 10.2973 10.4859 10.4859 10.5523 10.5523 k =-0.0783 0.1888 0.2044 ( 2459 PWs) bands (ev): 1.7116 1.7116 1.7697 1.7697 1.9943 1.9943 2.1061 2.1061 2.1644 2.1644 2.2025 2.2025 6.0914 6.0914 7.4543 7.4543 7.4913 7.4913 9.1389 9.1389 10.0481 10.0481 10.3335 10.3335 10.4989 10.4989 10.6093 10.6093 k =-0.0731 0.1762 0.1908 ( 2451 PWs) bands (ev): 1.7086 1.7086 1.7635 1.7635 1.9608 1.9608 2.1059 2.1059 2.1544 2.1544 2.2049 2.2049 6.0468 6.0468 7.4474 7.4474 7.4907 7.4907 9.1465 9.1465 10.0894 10.0894 10.3726 10.3726 10.5121 10.5121 10.6670 10.6670 k =-0.0679 0.1636 0.1771 ( 2449 PWs) bands (ev): 1.7046 1.7046 1.7558 1.7558 1.9290 1.9290 2.1060 2.1060 2.1480 2.1480 2.2072 2.2072 6.0040 6.0040 7.4184 7.4184 7.5095 7.5095 9.1551 9.1551 10.1319 10.1319 10.4135 10.4135 10.5268 10.5268 10.7253 10.7253 k =-0.0627 0.1510 0.1635 ( 2455 PWs) bands (ev): 1.6987 1.6987 1.7471 1.7471 1.9012 1.9012 2.1063 2.1063 2.1435 2.1435 2.2094 2.2094 5.9634 5.9634 7.3895 7.3895 7.5263 7.5263 9.1646 9.1646 10.1750 10.1750 10.4531 10.4531 10.5463 10.5463 10.7839 10.7839 k =-0.0574 0.1385 0.1499 ( 2455 PWs) bands (ev): 1.6897 1.6897 1.7384 1.7384 1.8784 1.8784 2.1068 2.1068 2.1404 2.1404 2.2116 2.2116 5.9252 5.9252 7.3624 7.3624 7.5397 7.5397 9.1746 9.1746 10.2184 10.2184 10.4853 10.4853 10.5767 10.5767 10.8425 10.8425 k =-0.0522 0.1259 0.1363 ( 2455 PWs) bands (ev): 1.6769 1.6769 1.7310 1.7310 1.8609 1.8609 2.1073 2.1073 2.1380 2.1380 2.2137 2.2137 5.8896 5.8896 7.3373 7.3373 7.5501 7.5501 9.1849 9.1849 10.2614 10.2614 10.5065 10.5065 10.6216 10.6216 10.9009 10.9009 k =-0.0470 0.1133 0.1226 ( 2455 PWs) bands (ev): 1.6607 1.6607 1.7256 1.7256 1.8477 1.8477 2.1079 2.1079 2.1361 2.1361 2.2157 2.2157 5.8568 5.8568 7.3145 7.3145 7.5578 7.5578 9.1952 9.1952 10.3035 10.3035 10.5200 10.5200 10.6776 10.6776 10.9587 10.9587 k =-0.0418 0.1007 0.1090 ( 2451 PWs) bands (ev): 1.6426 1.6426 1.7218 1.7218 1.8381 1.8381 2.1085 2.1085 2.1347 2.1347 2.2176 2.2176 5.8269 5.8269 7.2939 7.2939 7.5632 7.5632 9.2051 9.2051 10.3440 10.3440 10.5298 10.5298 10.7409 10.7409 11.0155 11.0155 k =-0.0365 0.0881 0.0954 ( 2449 PWs) bands (ev): 1.6244 1.6244 1.7191 1.7191 1.8309 1.8309 2.1091 2.1091 2.1336 2.1336 2.2192 2.2192 5.8002 5.8002 7.2756 7.2756 7.5669 7.5669 9.2145 9.2145 10.3819 10.3819 10.5377 10.5377 10.8092 10.8092 11.0709 11.0709 k =-0.0313 0.0755 0.0818 ( 2439 PWs) bands (ev): 1.6072 1.6072 1.7171 1.7171 1.8257 1.8257 2.1097 2.1097 2.1328 2.1328 2.2207 2.2207 5.7768 5.7768 7.2597 7.2597 7.5692 7.5692 9.2229 9.2229 10.4163 10.4163 10.5450 10.5450 10.8814 10.8814 11.1242 11.1242 k =-0.0261 0.0629 0.0681 ( 2445 PWs) bands (ev): 1.5918 1.5918 1.7155 1.7155 1.8217 1.8217 2.1101 2.1101 2.1321 2.1321 2.2219 2.2219 5.7568 5.7568 7.2461 7.2461 7.5705 7.5705 9.2304 9.2304 10.4460 10.4460 10.5522 10.5522 10.9565 10.9565 11.1746 11.1746 k =-0.0209 0.0503 0.0545 ( 2443 PWs) bands (ev): 1.5787 1.5787 1.7143 1.7143 1.8187 1.8187 2.1105 2.1105 2.1315 2.1315 2.2229 2.2229 5.7402 5.7402 7.2350 7.2350 7.5712 7.5712 9.2366 9.2366 10.4700 10.4700 10.5599 10.5599 11.0334 11.0334 11.2212 11.2212 k =-0.0157 0.0378 0.0409 ( 2443 PWs) bands (ev): 1.5682 1.5682 1.7135 1.7135 1.8166 1.8166 2.1108 2.1108 2.1311 2.1311 2.2237 2.2237 5.7273 5.7273 7.2264 7.2264 7.5714 7.5714 9.2416 9.2416 10.4875 10.4875 10.5680 10.5680 11.1101 11.1101 11.2631 11.2631 k =-0.0104 0.0252 0.0273 ( 2445 PWs) bands (ev): 1.5606 1.5606 1.7128 1.7128 1.8151 1.8151 2.1110 2.1110 2.1308 2.1308 2.2243 2.2243 5.7180 5.7180 7.2202 7.2202 7.5714 7.5714 9.2452 9.2452 10.4989 10.4989 10.5755 10.5755 11.1821 11.1821 11.3006 11.3006 k =-0.0052 0.0126 0.0136 ( 2451 PWs) bands (ev): 1.5560 1.5560 1.7124 1.7124 1.8143 1.8143 2.1111 2.1111 2.1307 2.1307 2.2246 2.2246 5.7124 5.7124 7.2165 7.2165 7.5714 7.5714 9.2474 9.2474 10.5051 10.5051 10.5810 10.5810 11.2372 11.2372 11.3377 11.3377 k = 0.0000 0.0000 0.0000 ( 2451 PWs) bands (ev): 1.5545 1.5545 1.7123 1.7123 1.8140 1.8140 2.1111 2.1111 2.1306 2.1306 2.2247 2.2247 5.7106 5.7106 7.2152 7.2152 7.5713 7.5713 9.2481 9.2481 10.5070 10.5070 10.5830 10.5830 11.2574 11.2574 11.3630 11.3631 k = 0.0000 0.0000 0.0000 ( 2451 PWs) bands (ev): 1.5545 1.5545 1.7123 1.7123 1.8140 1.8140 2.1111 2.1111 2.1306 2.1306 2.2247 2.2247 5.7106 5.7106 7.2152 7.2152 7.5713 7.5713 9.2481 9.2481 10.5070 10.5070 10.5830 10.5830 11.2574 11.2574 11.3630 11.3631 k = 0.0179 0.0074-0.0000 ( 2451 PWs) bands (ev): 1.5557 1.5557 1.7123 1.7123 1.8143 1.8143 2.1111 2.1111 2.1307 2.1307 2.2247 2.2247 5.7062 5.7062 7.2151 7.2151 7.5699 7.5699 9.2486 9.2486 10.5007 10.5007 10.5766 10.5766 11.2656 11.2656 11.3715 11.3715 k = 0.0357 0.0148-0.0000 ( 2452 PWs) bands (ev): 1.5593 1.5593 1.7122 1.7122 1.8153 1.8153 2.1111 2.1111 2.1308 2.1308 2.2247 2.2247 5.6934 5.6934 7.2148 7.2148 7.5656 7.5656 9.2500 9.2500 10.4826 10.4826 10.5585 10.5585 11.2893 11.2893 11.3961 11.3961 k = 0.0536 0.0222-0.0000 ( 2448 PWs) bands (ev): 1.5652 1.5652 1.7122 1.7122 1.8171 1.8171 2.1111 2.1111 2.1311 2.1311 2.2248 2.2248 5.6721 5.6721 7.2143 7.2143 7.5587 7.5587 9.2523 9.2523 10.4548 10.4548 10.5305 10.5305 11.3262 11.3262 11.4348 11.4348 k = 0.0714 0.0296-0.0000 ( 2448 PWs) bands (ev): 1.5733 1.5733 1.7120 1.7120 1.8197 1.8197 2.1110 2.1110 2.1315 2.1315 2.2248 2.2248 5.6427 5.6427 7.2135 7.2135 7.5491 7.5491 9.2554 9.2554 10.4199 10.4199 10.4952 10.4952 11.3733 11.3733 11.4849 11.4849 k = 0.0893 0.0370-0.0000 ( 2448 PWs) bands (ev): 1.5832 1.5832 1.7118 1.7118 1.8234 1.8234 2.1110 2.1110 2.1321 2.1321 2.2248 2.2248 5.6056 5.6056 7.2126 7.2126 7.5371 7.5371 9.2594 9.2594 10.3801 10.3801 10.4550 10.4550 11.4274 11.4274 11.5442 11.5442 k = 0.1071 0.0444-0.0000 ( 2456 PWs) bands (ev): 1.5947 1.5947 1.7116 1.7116 1.8283 1.8283 2.1108 2.1108 2.1329 2.1329 2.2247 2.2247 5.5612 5.5612 7.2115 7.2115 7.5231 7.5231 9.2642 9.2642 10.3373 10.3373 10.4117 10.4117 11.4846 11.4846 11.5878 11.5879 k = 0.1250 0.0519-0.0000 ( 2456 PWs) bands (ev): 1.6074 1.6074 1.7113 1.7113 1.8348 1.8348 2.1107 2.1107 2.1340 2.1340 2.2247 2.2247 5.5101 5.5101 7.2103 7.2103 7.5071 7.5071 9.2697 9.2697 10.2930 10.2930 10.3669 10.3669 11.5403 11.5403 11.6330 11.6330 k = 0.1429 0.0593-0.0000 ( 2456 PWs) bands (ev): 1.6208 1.6208 1.7111 1.7111 1.8432 1.8432 2.1106 2.1106 2.1356 2.1356 2.2247 2.2247 5.4528 5.4528 7.2089 7.2089 7.4896 7.4896 9.2758 9.2758 10.2482 10.2482 10.3215 10.3215 11.5912 11.5912 11.6918 11.6918 k = 0.1607 0.0667-0.0000 ( 2468 PWs) bands (ev): 1.6341 1.6341 1.7107 1.7107 1.8538 1.8538 2.1104 2.1104 2.1375 2.1375 2.2246 2.2246 5.3900 5.3900 7.2074 7.2074 7.4708 7.4708 9.2826 9.2826 10.2037 10.2037 10.2763 10.2763 11.6388 11.6388 11.7618 11.7618 k = 0.1786 0.0741-0.0000 ( 2468 PWs) bands (ev): 1.6469 1.6469 1.7104 1.7104 1.8671 1.8671 2.1102 2.1102 2.1402 2.1402 2.2246 2.2246 5.3224 5.3224 7.2058 7.2058 7.4511 7.4511 9.2898 9.2898 10.1600 10.1600 10.2320 10.2320 11.6861 11.6861 11.8387 11.8387 k = 0.1964 0.0815-0.0000 ( 2452 PWs) bands (ev): 1.6588 1.6588 1.7101 1.7101 1.8832 1.8832 2.1102 2.1102 2.1440 2.1440 2.2247 2.2247 5.2507 5.2507 7.2041 7.2041 7.4308 7.4308 9.2974 9.2974 10.1176 10.1176 10.1889 10.1889 11.7347 11.7347 11.9092 11.9092 k = 0.2143 0.0889-0.0000 ( 2444 PWs) bands (ev): 1.6692 1.6692 1.7099 1.7099 1.9018 1.9018 2.1101 2.1101 2.1491 2.1491 2.2247 2.2247 5.1756 5.1756 7.2023 7.2023 7.4101 7.4101 9.3053 9.3053 10.0767 10.0767 10.1475 10.1475 11.7850 11.7850 11.9107 11.9107 k = 0.2321 0.0963-0.0000 ( 2448 PWs) bands (ev): 1.6779 1.6779 1.7095 1.7095 1.9224 1.9224 2.1100 2.1100 2.1558 2.1558 2.2247 2.2247 5.0979 5.0979 7.2005 7.2005 7.3894 7.3894 9.3135 9.3135 10.0377 10.0377 10.1078 10.1078 11.8368 11.8368 11.9113 11.9113 k = 0.2500 0.1037-0.0000 ( 2432 PWs) bands (ev): 1.6852 1.6852 1.7092 1.7092 1.9444 1.9444 2.1099 2.1099 2.1651 2.1651 2.2248 2.2248 5.0182 5.0182 7.1987 7.1987 7.3689 7.3689 9.3217 9.3217 10.0006 10.0006 10.0702 10.0702 11.8898 11.8898 11.9118 11.9118 k = 0.2679 0.1111-0.0000 ( 2432 PWs) bands (ev): 1.6910 1.6910 1.7089 1.7089 1.9662 1.9662 2.1098 2.1098 2.1775 2.1775 2.2248 2.2248 4.9375 4.9375 7.1969 7.1969 7.3488 7.3488 9.3300 9.3300 9.9657 9.9657 10.0347 10.0347 11.9122 11.9122 11.9433 11.9433 k = 0.2857 0.1185-0.0000 ( 2436 PWs) bands (ev): 1.6955 1.6955 1.7085 1.7085 1.9866 1.9866 2.1096 2.1096 2.1940 2.1940 2.2248 2.2248 4.8564 4.8564 7.1952 7.1952 7.3294 7.3294 9.3381 9.3381 9.9330 9.9330 10.0015 10.0015 11.9125 11.9125 11.9967 11.9967 k = 0.3036 0.1259-0.0000 ( 2436 PWs) bands (ev): 1.6991 1.6991 1.7081 1.7081 2.0045 2.0045 2.1094 2.1094 2.2151 2.2151 2.2248 2.2248 4.7759 4.7759 7.1935 7.1935 7.3109 7.3109 9.3460 9.3460 9.9027 9.9027 9.9708 9.9708 11.9128 11.9128 12.0493 12.0493 k = 0.3214 0.1333-0.0000 ( 2444 PWs) bands (ev): 1.7017 1.7017 1.7078 1.7078 2.0192 2.0192 2.1093 2.1093 2.2247 2.2247 2.2408 2.2408 4.6967 4.6967 7.1918 7.1918 7.2935 7.2935 9.3537 9.3537 9.8748 9.8748 9.9425 9.9425 11.9131 11.9131 12.1003 12.1003 k = 0.3393 0.1408-0.0000 ( 2448 PWs) bands (ev): 1.7038 1.7038 1.7074 1.7074 2.0307 2.0307 2.1091 2.1091 2.2246 2.2246 2.2705 2.2705 4.6198 4.6198 7.1903 7.1903 7.2772 7.2772 9.3609 9.3609 9.8494 9.8494 9.9167 9.9167 11.9133 11.9133 12.1491 12.1491 k = 0.3571 0.1482-0.0000 ( 2444 PWs) bands (ev): 1.7055 1.7055 1.7071 1.7071 2.0394 2.0394 2.1089 2.1089 2.2246 2.2246 2.3028 2.3028 4.5462 4.5462 7.1889 7.1889 7.2624 7.2624 9.3676 9.3676 9.8266 9.8266 9.8936 9.8936 11.9135 11.9135 12.1949 12.1949 k = 0.3750 0.1556-0.0000 ( 2444 PWs) bands (ev): 1.7066 1.7066 1.7068 1.7068 2.0459 2.0459 2.1088 2.1088 2.2246 2.2246 2.3364 2.3364 4.4770 4.4770 7.1876 7.1876 7.2490 7.2490 9.3737 9.3737 9.8064 9.8064 9.8731 9.8731 11.9137 11.9137 12.2371 12.2371 k = 0.3929 0.1630-0.0000 ( 2444 PWs) bands (ev): 1.7066 1.7066 1.7075 1.7075 2.0507 2.0507 2.1087 2.1087 2.2246 2.2246 2.3697 2.3697 4.4132 4.4132 7.1864 7.1864 7.2372 7.2372 9.3792 9.3792 9.7888 9.7888 9.8553 9.8553 11.9139 11.9139 12.2751 12.2751 k = 0.4107 0.1704-0.0000 ( 2444 PWs) bands (ev): 1.7064 1.7064 1.7081 1.7081 2.0542 2.0542 2.1086 2.1086 2.2246 2.2246 2.4013 2.4013 4.3561 4.3561 7.1854 7.1854 7.2270 7.2270 9.3840 9.3840 9.7738 9.7738 9.8402 9.8402 11.9141 11.9141 12.3083 12.3083 k = 0.4286 0.1778-0.0000 ( 2436 PWs) bands (ev): 1.7062 1.7062 1.7086 1.7086 2.0569 2.0569 2.1086 2.1086 2.2247 2.2247 2.4297 2.4297 4.3070 4.3070 7.1846 7.1846 7.2186 7.2186 9.3879 9.3879 9.7616 9.7616 9.8278 9.8278 11.9142 11.9142 12.3361 12.3361 k = 0.4464 0.1852-0.0000 ( 2436 PWs) bands (ev): 1.7061 1.7061 1.7089 1.7089 2.0587 2.0587 2.1085 2.1085 2.2247 2.2247 2.4536 2.4536 4.2671 4.2671 7.1839 7.1839 7.2120 7.2120 9.3911 9.3911 9.7520 9.7520 9.8181 9.8181 11.9143 11.9143 12.3582 12.3582 k = 0.4643 0.1926-0.0000 ( 2440 PWs) bands (ev): 1.7060 1.7060 1.7091 1.7091 2.0598 2.0598 2.1085 2.1085 2.2246 2.2246 2.4716 2.4716 4.2376 4.2376 7.1835 7.1835 7.2073 7.2073 9.3933 9.3933 9.7452 9.7452 9.8112 9.8112 11.9144 11.9144 12.3743 12.3743 k = 0.4821 0.2000-0.0000 ( 2436 PWs) bands (ev): 1.7059 1.7059 1.7093 1.7093 2.0605 2.0605 2.1084 2.1084 2.2247 2.2247 2.4829 2.4829 4.2195 4.2195 7.1832 7.1832 7.2044 7.2044 9.3947 9.3947 9.7411 9.7411 9.8071 9.8071 11.9144 11.9144 12.3840 12.3840 k = 0.5000 0.2074-0.0000 ( 2424 PWs) bands (ev): 1.7061 1.7061 1.7094 1.7094 2.0608 2.0608 2.1085 2.1085 2.2247 2.2247 2.4868 2.4868 4.2134 4.2134 7.1831 7.1831 7.2035 7.2035 9.3952 9.3952 9.7397 9.7397 9.8057 9.8057 11.9144 11.9144 12.3873 12.3873 k = 0.5000 0.2074-0.0000 ( 2424 PWs) bands (ev): 1.7061 1.7061 1.7094 1.7094 2.0608 2.0608 2.1085 2.1085 2.2247 2.2247 2.4868 2.4868 4.2134 4.2134 7.1831 7.1831 7.2035 7.2035 9.3952 9.3952 9.7397 9.7397 9.8057 9.8057 11.9144 11.9144 12.3873 12.3873 k = 0.4948 0.2199 0.0136 ( 2430 PWs) bands (ev): 1.7061 1.7061 1.7096 1.7096 2.0608 2.0608 2.1084 2.1084 2.2245 2.2245 2.4878 2.4878 4.2157 4.2157 7.1841 7.1841 7.2046 7.2046 9.3961 9.3961 9.7394 9.7394 9.8055 9.8055 11.9104 11.9104 12.3795 12.3795 k = 0.4896 0.2325 0.0271 ( 2430 PWs) bands (ev): 1.7064 1.7064 1.7103 1.7103 2.0611 2.0611 2.1082 2.1082 2.2240 2.2240 2.4907 2.4907 4.2228 4.2228 7.1871 7.1871 7.2080 7.2080 9.3990 9.3990 9.7383 9.7383 9.8049 9.8049 11.8984 11.8984 12.3560 12.3560 k = 0.4844 0.2450 0.0407 ( 2437 PWs) bands (ev): 1.7068 1.7068 1.7116 1.7116 2.0614 2.0614 2.1077 2.1077 2.2232 2.2232 2.4956 2.4956 4.2346 4.2346 7.1919 7.1919 7.2137 7.2137 9.4036 9.4036 9.7355 9.7355 9.8047 9.8047 11.8788 11.8788 12.3160 12.3160 k = 0.4792 0.2575 0.0542 ( 2441 PWs) bands (ev): 1.7072 1.7072 1.7135 1.7135 2.0619 2.0619 2.1072 2.1072 2.2221 2.2221 2.5024 2.5024 4.2510 4.2510 7.1984 7.1984 7.2219 7.2219 9.4100 9.4100 9.7302 9.7302 9.8060 9.8060 11.8522 11.8522 12.2595 12.2595 k = 0.4740 0.2700 0.0678 ( 2439 PWs) bands (ev): 1.7076 1.7076 1.7160 1.7160 2.0626 2.0626 2.1065 2.1065 2.2207 2.2207 2.5113 2.5113 4.2721 4.2721 7.2063 7.2063 7.2328 7.2328 9.4181 9.4181 9.7215 9.7215 9.8095 9.8095 11.8193 11.8193 12.1878 12.1878 k = 0.4688 0.2825 0.0813 ( 2443 PWs) bands (ev): 1.7081 1.7081 1.7189 1.7189 2.0634 2.0634 2.1057 2.1057 2.2191 2.2191 2.5223 2.5223 4.2977 4.2977 7.2155 7.2155 7.2463 7.2463 9.4275 9.4275 9.7091 9.7091 9.8156 9.8156 11.7809 11.7809 12.1038 12.1038 k = 0.4636 0.2950 0.0949 ( 2443 PWs) bands (ev): 1.7086 1.7086 1.7223 1.7223 2.0643 2.0643 2.1049 2.1049 2.2172 2.2172 2.5354 2.5354 4.3277 4.3277 7.2260 7.2260 7.2624 7.2624 9.4383 9.4383 9.6930 9.6930 9.8242 9.8242 11.7378 11.7378 12.0107 12.0107 k = 0.4585 0.3076 0.1084 ( 2445 PWs) bands (ev): 1.7091 1.7091 1.7260 1.7260 2.0654 2.0654 2.1039 2.1039 2.2151 2.2151 2.5506 2.5506 4.3622 4.3622 7.2378 7.2378 7.2809 7.2809 9.4500 9.4500 9.6735 9.6735 9.8350 9.8350 11.6906 11.6906 11.9120 11.9120 k = 0.4533 0.3201 0.1220 ( 2449 PWs) bands (ev): 1.7096 1.7096 1.7299 1.7299 2.0666 2.0666 2.1028 2.1028 2.2128 2.2128 2.5680 2.5680 4.4010 4.4010 7.2509 7.2509 7.3017 7.3017 9.4622 9.4622 9.6510 9.6510 9.8477 9.8477 11.6398 11.6398 11.8102 11.8102 k = 0.4481 0.3326 0.1355 ( 2455 PWs) bands (ev): 1.7102 1.7102 1.7339 1.7339 2.0680 2.0680 2.1016 2.1016 2.2104 2.2104 2.5876 2.5876 4.4439 4.4439 7.2653 7.2653 7.3245 7.3245 9.4747 9.4747 9.6257 9.6257 9.8620 9.8620 11.5860 11.5860 11.7079 11.7079 k = 0.4429 0.3451 0.1491 ( 2455 PWs) bands (ev): 1.7109 1.7109 1.7381 1.7381 2.0695 2.0695 2.1005 2.1005 2.2078 2.2078 2.6095 2.6095 4.4909 4.4909 7.2809 7.2809 7.3491 7.3491 9.4866 9.4866 9.5981 9.5981 9.8778 9.8778 11.5289 11.5289 11.6071 11.6071 k = 0.4377 0.3576 0.1626 ( 2455 PWs) bands (ev): 1.7115 1.7115 1.7422 1.7422 2.0711 2.0711 2.0993 2.0993 2.2051 2.2051 2.6338 2.6338 4.5419 4.5419 7.2978 7.2978 7.3752 7.3752 9.4965 9.4965 9.5693 9.5693 9.8947 9.8947 11.4664 11.4664 11.5119 11.5119 k = 0.4325 0.3702 0.1762 ( 2451 PWs) bands (ev): 1.7123 1.7123 1.7462 1.7462 2.0729 2.0729 2.0982 2.0982 2.2024 2.2024 2.6604 2.6604 4.5967 4.5967 7.3158 7.3158 7.4027 7.4027 9.4994 9.4994 9.5438 9.5438 9.9126 9.9126 11.3902 11.3902 11.4321 11.4321 k = 0.4273 0.3827 0.1897 ( 2455 PWs) bands (ev): 1.7130 1.7130 1.7501 1.7501 2.0748 2.0748 2.0970 2.0970 2.1995 2.1995 2.6893 2.6893 4.6552 4.6552 7.3349 7.3349 7.4313 7.4313 9.4819 9.4819 9.5347 9.5347 9.9312 9.9312 11.3027 11.3027 11.3666 11.3666 k = 0.4221 0.3952 0.2033 ( 2459 PWs) bands (ev): 1.7137 1.7137 1.7536 1.7536 2.0768 2.0768 2.0959 2.0959 2.1967 2.1967 2.7207 2.7207 4.7172 4.7172 7.3550 7.3550 7.4605 7.4605 9.4486 9.4486 9.5367 9.5367 9.9502 9.9502 11.2158 11.2158 11.3049 11.3049 k = 0.4169 0.4077 0.2168 ( 2459 PWs) bands (ev): 1.7145 1.7145 1.7569 1.7569 2.0789 2.0789 2.0949 2.0949 2.1939 2.1939 2.7544 2.7544 4.7826 4.7826 7.3759 7.3759 7.4900 7.4900 9.4101 9.4101 9.5387 9.5387 9.9694 9.9694 11.1333 11.1333 11.2440 11.2440 k = 0.4117 0.4202 0.2304 ( 2463 PWs) bands (ev): 1.7152 1.7152 1.7597 1.7597 2.0809 2.0809 2.0939 2.0939 2.1911 2.1911 2.7906 2.7906 4.8513 4.8513 7.3974 7.3974 7.5196 7.5196 9.3689 9.3689 9.5376 9.5376 9.9885 9.9885 11.0568 11.0568 11.1836 11.1836 k = 0.4065 0.4327 0.2439 ( 2463 PWs) bands (ev): 1.7160 1.7160 1.7623 1.7623 2.0829 2.0829 2.0933 2.0933 2.1885 2.1885 2.8291 2.8291 4.9229 4.9229 7.4192 7.4192 7.5488 7.5488 9.3261 9.3261 9.5320 9.5320 10.0071 10.0071 10.9869 10.9869 11.1237 11.1237 k = 0.4013 0.4453 0.2575 ( 2459 PWs) bands (ev): 1.7167 1.7167 1.7644 1.7644 2.0845 2.0845 2.0932 2.0932 2.1860 2.1860 2.8699 2.8699 4.9975 4.9975 7.4410 7.4410 7.5774 7.5774 9.2820 9.2820 9.5212 9.5212 10.0248 10.0248 10.9244 10.9244 11.0644 11.0644 k = 0.3961 0.4578 0.2710 ( 2465 PWs) bands (ev): 1.7174 1.7174 1.7660 1.7660 2.0854 2.0854 2.0937 2.0937 2.1837 2.1837 2.9131 2.9131 5.0748 5.0748 7.4621 7.4621 7.6049 7.6049 9.2375 9.2375 9.5044 9.5044 10.0413 10.0413 10.8692 10.8692 11.0060 11.0060 k = 0.3909 0.4703 0.2846 ( 2465 PWs) bands (ev): 1.7181 1.7181 1.7673 1.7673 2.0855 2.0855 2.0950 2.0950 2.1816 2.1816 2.9586 2.9586 5.1545 5.1545 7.4817 7.4817 7.6314 7.6314 9.1931 9.1931 9.4814 9.4814 10.0560 10.0560 10.8213 10.8213 10.9489 10.9489 k = 0.3858 0.4828 0.2981 ( 2465 PWs) bands (ev): 1.7188 1.7188 1.7682 1.7682 2.0851 2.0851 2.0969 2.0969 2.1797 2.1797 3.0064 3.0064 5.2365 5.2365 7.4988 7.4988 7.6570 7.6570 9.1497 9.1497 9.4523 9.4523 10.0686 10.0686 10.7800 10.7800 10.8933 10.8933 k = 0.3806 0.4953 0.3117 ( 2469 PWs) bands (ev): 1.7195 1.7195 1.7687 1.7687 2.0843 2.0843 2.0990 2.0990 2.1782 2.1782 3.0563 3.0563 5.3206 5.3206 7.5116 7.5116 7.6819 7.6819 9.1081 9.1081 9.4175 9.4175 10.0786 10.0786 10.7438 10.7438 10.8401 10.8401 k = 0.3754 0.5078 0.3253 ( 2463 PWs) bands (ev): 1.7201 1.7201 1.7689 1.7689 2.0835 2.0835 2.1011 2.1011 2.1771 2.1771 3.1084 3.1084 5.4065 5.4065 7.5185 7.5185 7.7069 7.7069 9.0694 9.0694 9.3775 9.3775 10.0855 10.0855 10.7106 10.7106 10.7907 10.7907 k = 0.3702 0.5204 0.3388 ( 2463 PWs) bands (ev): 1.7207 1.7207 1.7688 1.7688 2.0826 2.0826 2.1030 2.1030 2.1764 2.1764 3.1626 3.1626 5.4940 5.4940 7.5175 7.5175 7.7328 7.7328 9.0346 9.0346 9.3332 9.3332 10.0890 10.0890 10.6768 10.6768 10.7475 10.7475 k = 0.3650 0.5329 0.3524 ( 2473 PWs) bands (ev): 1.7212 1.7212 1.7683 1.7683 2.0816 2.0816 2.1046 2.1046 2.1760 2.1760 3.2187 3.2187 5.5827 5.5827 7.5069 7.5069 7.7600 7.7600 9.0046 9.0046 9.2855 9.2855 10.0888 10.0888 10.6388 10.6388 10.7130 10.7130 k = 0.3598 0.5454 0.3659 ( 2463 PWs) bands (ev): 1.7218 1.7218 1.7677 1.7677 2.0807 2.0807 2.1061 2.1061 2.1762 2.1762 3.2768 3.2768 5.6726 5.6726 7.4856 7.4856 7.7890 7.7890 8.9804 8.9804 9.2354 9.2354 10.0846 10.0846 10.5963 10.5963 10.6863 10.6863 k = 0.3546 0.5579 0.3795 ( 2471 PWs) bands (ev): 1.7222 1.7222 1.7668 1.7668 2.0796 2.0796 2.1072 2.1072 2.1767 2.1767 3.3368 3.3368 5.7631 5.7631 7.4529 7.4529 7.8196 7.8196 8.9625 8.9625 9.1837 9.1837 10.0765 10.0765 10.5517 10.5517 10.6640 10.6640 k = 0.3494 0.5704 0.3930 ( 2479 PWs) bands (ev): 1.7226 1.7226 1.7658 1.7658 2.0785 2.0785 2.1080 2.1080 2.1777 2.1777 3.3985 3.3985 5.8540 5.8540 7.4088 7.4088 7.8518 7.8518 8.9512 8.9512 9.1314 9.1314 10.0645 10.0645 10.5069 10.5069 10.6434 10.6434 k = 0.3442 0.5830 0.4066 ( 2471 PWs) bands (ev): 1.7231 1.7231 1.7648 1.7648 2.0775 2.0775 2.1087 2.1087 2.1791 2.1791 3.4619 3.4619 5.9451 5.9451 7.3537 7.3537 7.8852 7.8852 8.9464 8.9464 9.0793 9.0793 10.0488 10.0488 10.4630 10.4630 10.6228 10.6228 k = 0.3390 0.5955 0.4201 ( 2471 PWs) bands (ev): 1.7234 1.7234 1.7635 1.7635 2.0765 2.0765 2.1091 2.1091 2.1808 2.1808 3.5268 3.5268 6.0357 6.0357 7.2883 7.2883 7.9197 7.9197 8.9476 8.9476 9.0285 9.0285 10.0299 10.0299 10.4204 10.4204 10.6011 10.6011 k = 0.3338 0.6080 0.4337 ( 2467 PWs) bands (ev): 1.7238 1.7238 1.7623 1.7623 2.0755 2.0755 2.1093 2.1093 2.1828 2.1828 3.5932 3.5932 6.1257 6.1257 7.2136 7.2136 7.9550 7.9550 8.9510 8.9510 8.9826 8.9826 10.0080 10.0080 10.3795 10.3795 10.5777 10.5777 k = 0.3286 0.6205 0.4472 ( 2455 PWs) bands (ev): 1.7241 1.7241 1.7612 1.7612 2.0746 2.0746 2.1094 2.1094 2.1850 2.1850 3.6610 3.6610 6.2146 6.2146 7.1306 7.1306 7.9910 7.9910 8.9240 8.9240 8.9746 8.9746 9.9839 9.9839 10.3404 10.3404 10.5523 10.5523 k = 0.3234 0.6330 0.4608 ( 2453 PWs) bands (ev): 1.7244 1.7244 1.7599 1.7599 2.0736 2.0736 2.1094 2.1094 2.1873 2.1873 3.7299 3.7299 6.3018 6.3018 7.0404 7.0404 8.0274 8.0274 8.8798 8.8798 8.9908 8.9908 9.9579 9.9579 10.3032 10.3032 10.5245 10.5245 k = 0.3182 0.6455 0.4743 ( 2461 PWs) bands (ev): 1.7245 1.7245 1.7587 1.7587 2.0726 2.0726 2.1092 2.1092 2.1896 2.1896 3.8000 3.8000 6.3868 6.3868 6.9442 6.9442 8.0641 8.0641 8.8370 8.8370 9.0127 9.0127 9.9307 9.9307 10.2680 10.2680 10.4944 10.4944 k = 0.3131 0.6581 0.4879 ( 2467 PWs) bands (ev): 1.7247 1.7247 1.7575 1.7575 2.0716 2.0716 2.1090 2.1090 2.1919 2.1919 3.8709 3.8709 6.4691 6.4691 6.8431 6.8431 8.1010 8.1010 8.7970 8.7970 9.0387 9.0387 9.9027 9.9027 10.2350 10.2350 10.4621 10.4621 k = 0.3079 0.6706 0.5014 ( 2465 PWs) bands (ev): 1.7248 1.7248 1.7565 1.7565 2.0708 2.0708 2.1089 2.1089 2.1943 2.1943 3.9425 3.9425 6.5474 6.5474 6.7386 6.7386 8.1380 8.1380 8.7604 8.7604 9.0680 9.0680 9.8744 9.8744 10.2041 10.2041 10.4276 10.4276 k = 0.3027 0.6831 0.5150 ( 2469 PWs) bands (ev): 1.7250 1.7250 1.7555 1.7555 2.0700 2.0700 2.1087 2.1087 2.1965 2.1965 4.0147 4.0147 6.6042 6.6042 6.6488 6.6488 8.1750 8.1750 8.7275 8.7275 9.1003 9.1003 9.8463 9.8463 10.1754 10.1754 10.3914 10.3914 k = 0.2975 0.6956 0.5285 ( 2469 PWs) bands (ev): 1.7251 1.7251 1.7547 1.7547 2.0692 2.0692 2.1086 2.1086 2.1987 2.1987 4.0870 4.0870 6.5131 6.5131 6.7004 6.7004 8.2119 8.2119 8.6987 8.6987 9.1352 9.1352 9.8188 9.8188 10.1489 10.1489 10.3535 10.3535 k = 0.2923 0.7081 0.5421 ( 2469 PWs) bands (ev): 1.7252 1.7252 1.7540 1.7540 2.0685 2.0685 2.1085 2.1085 2.2008 2.2008 4.1593 4.1593 6.4016 6.4016 6.7661 6.7661 8.2487 8.2487 8.6740 8.6740 9.1724 9.1724 9.7921 9.7921 10.1246 10.1246 10.3145 10.3145 k = 0.2871 0.7206 0.5556 ( 2477 PWs) bands (ev): 1.7253 1.7253 1.7534 1.7534 2.0679 2.0679 2.1084 2.1084 2.2026 2.2026 4.2309 4.2309 6.2887 6.2887 6.8274 6.8274 8.2853 8.2853 8.6536 8.6536 9.2115 9.2115 9.7666 9.7666 10.1026 10.1026 10.2747 10.2747 k = 0.2819 0.7332 0.5692 ( 2473 PWs) bands (ev): 1.7254 1.7254 1.7531 1.7531 2.0674 2.0674 2.1085 2.1085 2.2044 2.2044 4.3015 4.3015 6.1761 6.1761 6.8832 6.8832 8.3216 8.3216 8.6374 8.6374 9.2523 9.2523 9.7426 9.7426 10.0826 10.0826 10.2345 10.2345 k = 0.2767 0.7457 0.5827 ( 2473 PWs) bands (ev): 1.7255 1.7255 1.7529 1.7529 2.0671 2.0671 2.1085 2.1085 2.2059 2.2059 4.3701 4.3701 6.0648 6.0648 6.9332 6.9332 8.3577 8.3577 8.6252 8.6252 9.2946 9.2946 9.7202 9.7202 10.0646 10.0646 10.1946 10.1946 k = 0.2715 0.7582 0.5963 ( 2481 PWs) bands (ev): 1.7255 1.7255 1.7527 1.7527 2.0667 2.0667 2.1087 2.1087 2.2073 2.2073 4.4356 4.4356 5.9565 5.9565 6.9770 6.9770 8.3934 8.3934 8.6168 8.6168 9.3381 9.3381 9.6998 9.6998 10.0484 10.0484 10.1555 10.1555 k = 0.2715 0.7582 0.5963 ( 2481 PWs) bands (ev): 1.7255 1.7255 1.7527 1.7527 2.0667 2.0667 2.1087 2.1087 2.2073 2.2073 4.4356 4.4356 5.9565 5.9565 6.9770 6.9770 8.3934 8.3934 8.6168 8.6168 9.3381 9.3381 9.6998 9.6998 10.0484 10.0484 10.1555 10.1555 k = 0.2534 0.7547 0.6000 ( 2485 PWs) bands (ev): 1.7256 1.7256 1.7527 1.7527 2.0667 2.0667 2.1087 2.1087 2.2076 2.2076 4.4532 4.4532 5.9258 5.9258 6.9896 6.9896 8.3916 8.3916 8.6278 8.6278 9.3509 9.3509 9.6949 9.6949 10.0431 10.0431 10.1438 10.1438 k = 0.2353 0.7513 0.6038 ( 2483 PWs) bands (ev): 1.7256 1.7256 1.7529 1.7529 2.0667 2.0667 2.1088 2.1088 2.2079 2.2079 4.4707 4.4707 5.8928 5.8928 7.0048 7.0048 8.3706 8.3706 8.6601 8.6601 9.3651 9.3651 9.6912 9.6912 10.0356 10.0356 10.1297 10.1297 k = 0.2172 0.7478 0.6075 ( 2483 PWs) bands (ev): 1.7256 1.7256 1.7530 1.7530 2.0667 2.0667 2.1089 2.1089 2.2082 2.2082 4.4882 4.4882 5.8584 5.8584 7.0218 7.0218 8.3395 8.3395 8.7046 8.7046 9.3806 9.3806 9.6885 9.6885 10.0262 10.0262 10.1134 10.1134 k = 0.1991 0.7444 0.6113 ( 2484 PWs) bands (ev): 1.7255 1.7255 1.7532 1.7532 2.0667 2.0667 2.1090 2.1090 2.2086 2.2086 4.5056 4.5056 5.8233 5.8233 7.0400 7.0400 8.3044 8.3044 8.7546 8.7546 9.3975 9.3975 9.6868 9.6868 10.0150 10.0150 10.0950 10.0950 k = 0.1810 0.7409 0.6150 ( 2478 PWs) bands (ev): 1.7255 1.7255 1.7536 1.7536 2.0667 2.0667 2.1092 2.1092 2.2090 2.2090 4.5227 4.5227 5.7883 5.7883 7.0588 7.0588 8.2684 8.2684 8.8064 8.8064 9.4157 9.4157 9.6863 9.6863 10.0020 10.0020 10.0749 10.0749 k = 0.1629 0.7375 0.6187 ( 2474 PWs) bands (ev): 1.7255 1.7255 1.7539 1.7539 2.0668 2.0668 2.1093 2.1093 2.2093 2.2093 4.5394 4.5394 5.7540 5.7540 7.0776 7.0776 8.2334 8.2334 8.8580 8.8580 9.4356 9.4356 9.6867 9.6867 9.9873 9.9873 10.0536 10.0536 k = 0.1448 0.7340 0.6225 ( 2477 PWs) bands (ev): 1.7254 1.7254 1.7541 1.7541 2.0668 2.0668 2.1094 2.1094 2.2096 2.2096 4.5555 4.5555 5.7211 5.7211 7.0961 7.0961 8.2001 8.2001 8.9078 8.9078 9.4571 9.4571 9.6880 9.6880 9.9706 9.9706 10.0317 10.0317 k = 0.1267 0.7305 0.6262 ( 2476 PWs) bands (ev): 1.7253 1.7253 1.7544 1.7544 2.0668 2.0668 2.1096 2.1096 2.2099 2.2099 4.5708 4.5708 5.6903 5.6903 7.1137 7.1137 8.1693 8.1693 8.9543 8.9543 9.4805 9.4805 9.6902 9.6902 9.9512 9.9512 10.0104 10.0104 k = 0.1086 0.7271 0.6300 ( 2483 PWs) bands (ev): 1.7252 1.7252 1.7546 1.7546 2.0668 2.0668 2.1096 2.1096 2.2101 2.2101 4.5850 4.5850 5.6620 5.6620 7.1300 7.1300 8.1415 8.1415 8.9966 8.9966 9.5059 9.5059 9.6932 9.6932 9.9285 9.9285 9.9908 9.9908 k = 0.0905 0.7236 0.6337 ( 2479 PWs) bands (ev): 1.7251 1.7251 1.7549 1.7549 2.0669 2.0669 2.1098 2.1098 2.2103 2.2103 4.5978 4.5978 5.6369 5.6369 7.1446 7.1446 8.1172 8.1172 9.0336 9.0336 9.5331 9.5331 9.6968 9.6968 9.9022 9.9022 9.9741 9.9741 k = 0.0724 0.7202 0.6375 ( 2479 PWs) bands (ev): 1.7251 1.7251 1.7551 1.7551 2.0669 2.0669 2.1099 2.1099 2.2105 2.2105 4.6088 4.6088 5.6155 5.6155 7.1571 7.1571 8.0967 8.0967 9.0645 9.0645 9.5618 9.5618 9.7011 9.7011 9.8729 9.8729 9.9603 9.9603 k = 0.0543 0.7167 0.6412 ( 2478 PWs) bands (ev): 1.7250 1.7250 1.7553 1.7553 2.0670 2.0670 2.1099 2.1099 2.2107 2.2107 4.6179 4.6179 5.5983 5.5983 7.1673 7.1673 8.0804 8.0804 9.0890 9.0890 9.5909 9.5909 9.7065 9.7065 9.8416 9.8416 9.9495 9.9495 k = 0.0362 0.7133 0.6449 ( 2480 PWs) bands (ev): 1.7250 1.7250 1.7554 1.7554 2.0670 2.0670 2.1100 2.1100 2.2108 2.2108 4.6245 4.6245 5.5856 5.5856 7.1747 7.1747 8.0685 8.0685 9.1065 9.1065 9.6178 9.6178 9.7140 9.7140 9.8094 9.8094 9.9416 9.9416 k = 0.0181 0.7098 0.6487 ( 2478 PWs) bands (ev): 1.7250 1.7250 1.7555 1.7555 2.0670 2.0670 2.1100 2.1100 2.2109 2.2109 4.6287 4.6287 5.5779 5.5779 7.1793 7.1793 8.0613 8.0613 9.1171 9.1171 9.6380 9.6380 9.7263 9.7263 9.7785 9.7785 9.9369 9.9369 k = 0.0000 0.7063 0.6524 ( 2480 PWs) bands (ev): 1.7249 1.7249 1.7555 1.7555 2.0670 2.0670 2.1100 2.1100 2.2109 2.2109 4.6301 4.6301 5.5753 5.5753 7.1808 7.1808 8.0589 8.0589 9.1206 9.1206 9.6456 9.6456 9.7403 9.7403 9.7576 9.7576 9.9353 9.9353 k = 0.0000 0.7063 0.6524 ( 2480 PWs) bands (ev): 1.7249 1.7249 1.7555 1.7555 2.0670 2.0670 2.1100 2.1100 2.2109 2.2109 4.6301 4.6301 5.5753 5.5753 7.1808 7.1808 8.0589 8.0589 9.1206 9.1206 9.6456 9.6456 9.7403 9.7403 9.7576 9.7576 9.9353 9.9353 k = 0.0052 0.6938 0.6660 ( 2474 PWs) bands (ev): 1.7252 1.7252 1.7556 1.7556 2.0671 2.0671 2.1100 2.1100 2.2108 2.2108 4.6306 4.6306 5.5773 5.5773 7.1825 7.1825 8.0574 8.0574 9.1171 9.1171 9.6386 9.6386 9.7127 9.7127 9.7886 9.7886 9.9402 9.9402 k = 0.0104 0.6812 0.6796 ( 2474 PWs) bands (ev): 1.7258 1.7258 1.7557 1.7557 2.0671 2.0671 2.1098 2.1098 2.2106 2.2106 4.6323 4.6323 5.5834 5.5834 7.1872 7.1872 8.0529 8.0529 9.1069 9.1069 9.6160 9.6160 9.6864 9.6864 9.8272 9.8272 9.9547 9.9547 k = 0.0156 0.6687 0.6932 ( 2478 PWs) bands (ev): 1.7267 1.7267 1.7558 1.7558 2.0672 2.0672 2.1094 2.1094 2.2102 2.2102 4.6352 4.6352 5.5934 5.5934 7.1951 7.1951 8.0454 8.0454 9.0902 9.0902 9.5803 9.5803 9.6685 9.6685 9.8652 9.8652 9.9775 9.9775 k = 0.0208 0.6561 0.7068 ( 2482 PWs) bands (ev): 1.7279 1.7279 1.7559 1.7559 2.0673 2.0673 2.1090 2.1090 2.2097 2.2097 4.6391 4.6391 5.6073 5.6073 7.2060 7.2060 8.0349 8.0349 9.0673 9.0673 9.5379 9.5379 9.6546 9.6546 9.9021 9.9021 10.0072 10.0072 k = 0.0260 0.6436 0.7204 ( 2478 PWs) bands (ev): 1.7295 1.7295 1.7562 1.7562 2.0676 2.0676 2.1085 2.1085 2.2091 2.2091 4.6443 4.6443 5.6251 5.6251 7.2197 7.2197 8.0216 8.0216 9.0385 9.0385 9.4929 9.4929 9.6427 9.6427 9.9373 9.9373 10.0426 10.0426 k = 0.0312 0.6310 0.7340 ( 2476 PWs) bands (ev): 1.7314 1.7314 1.7565 1.7565 2.0679 2.0679 2.1080 2.1080 2.2084 2.2084 4.6505 4.6505 5.6467 5.6467 7.2360 7.2360 8.0055 8.0055 9.0042 9.0042 9.4471 9.4471 9.6329 9.6329 9.9707 9.9707 10.0828 10.0828 k = 0.0365 0.6185 0.7476 ( 2476 PWs) bands (ev): 1.7334 1.7334 1.7569 1.7569 2.0682 2.0682 2.1074 2.1074 2.2075 2.2075 4.6579 4.6580 5.6719 5.6719 7.2546 7.2546 7.9869 7.9869 8.9647 8.9647 9.4014 9.4014 9.6257 9.6257 10.0017 10.0017 10.1272 10.1272 k = 0.0417 0.6059 0.7612 ( 2476 PWs) bands (ev): 1.7356 1.7356 1.7573 1.7573 2.0686 2.0686 2.1068 2.1068 2.2066 2.2066 4.6665 4.6665 5.7006 5.7006 7.2751 7.2751 7.9658 7.9658 8.9202 8.9202 9.3566 9.3566 9.6221 9.6221 10.0301 10.0301 10.1754 10.1754 k = 0.0469 0.5934 0.7748 ( 2470 PWs) bands (ev): 1.7379 1.7379 1.7578 1.7578 2.0691 2.0691 2.1064 2.1064 2.2056 2.2056 4.6763 4.6763 5.7326 5.7326 7.2971 7.2971 7.9426 7.9426 8.8711 8.8711 9.3132 9.3132 9.6226 9.6226 10.0558 10.0558 10.2268 10.2268 k = 0.0521 0.5808 0.7884 ( 2470 PWs) bands (ev): 1.7401 1.7401 1.7583 1.7583 2.0695 2.0695 2.1060 2.1060 2.2045 2.2045 4.6872 4.6872 5.7677 5.7677 7.3202 7.3202 7.9177 7.9177 8.8177 8.8177 9.2717 9.2717 9.6278 9.6278 10.0788 10.0788 10.2811 10.2811 k = 0.0573 0.5682 0.8019 ( 2470 PWs) bands (ev): 1.7422 1.7422 1.7589 1.7589 2.0698 2.0698 2.1059 2.1059 2.2034 2.2034 4.6993 4.6993 5.8057 5.8057 7.3438 7.3438 7.8912 7.8912 8.7606 8.7606 9.2328 9.2328 9.6380 9.6380 10.0994 10.0994 10.3378 10.3378 k = 0.0625 0.5557 0.8155 ( 2472 PWs) bands (ev): 1.7441 1.7441 1.7596 1.7596 2.0700 2.0700 2.1062 2.1062 2.2023 2.2023 4.7126 4.7126 5.8463 5.8463 7.3673 7.3673 7.8638 7.8638 8.7003 8.7003 9.1969 9.1969 9.6531 9.6531 10.1179 10.1179 10.3966 10.3966 k = 0.0677 0.5431 0.8291 ( 2474 PWs) bands (ev): 1.7458 1.7458 1.7604 1.7604 2.0699 2.0699 2.1070 2.1070 2.2012 2.2012 4.7270 4.7270 5.8891 5.8891 7.3899 7.3899 7.8357 7.8357 8.6374 8.6374 9.1645 9.1645 9.6731 9.6731 10.1347 10.1347 10.4572 10.4572 k = 0.0729 0.5306 0.8427 ( 2476 PWs) bands (ev): 1.7471 1.7471 1.7612 1.7612 2.0694 2.0694 2.1085 2.1085 2.2001 2.2001 4.7427 4.7427 5.9339 5.9339 7.4111 7.4111 7.8075 7.8075 8.5724 8.5724 9.1362 9.1362 9.6978 9.6978 10.1504 10.1504 10.5194 10.5194 k = 0.0781 0.5180 0.8563 ( 2478 PWs) bands (ev): 1.7481 1.7481 1.7621 1.7621 2.0686 2.0686 2.1106 2.1106 2.1991 2.1991 4.7595 4.7595 5.9801 5.9801 7.4299 7.4299 7.7796 7.7796 8.5061 8.5061 9.1122 9.1122 9.7269 9.7269 10.1657 10.1657 10.5831 10.5831 k = 0.0833 0.5055 0.8699 ( 2476 PWs) bands (ev): 1.7487 1.7487 1.7629 1.7629 2.0675 2.0675 2.1134 2.1134 2.1983 2.1983 4.7775 4.7775 6.0274 6.0274 7.4459 7.4459 7.7526 7.7526 8.4389 8.4389 9.0928 9.0928 9.7602 9.7602 10.1813 10.1813 10.6479 10.6479 k = 0.0885 0.4929 0.8835 ( 2478 PWs) bands (ev): 1.7491 1.7491 1.7636 1.7636 2.0659 2.0659 2.1168 2.1168 2.1975 2.1975 4.7967 4.7967 6.0751 6.0751 7.4583 7.4583 7.7270 7.7270 8.3715 8.3715 9.0782 9.0782 9.7971 9.7971 10.1982 10.1982 10.7139 10.7139 k = 0.0938 0.4804 0.8971 ( 2480 PWs) bands (ev): 1.7491 1.7491 1.7641 1.7641 2.0639 2.0639 2.1209 2.1209 2.1970 2.1970 4.8171 4.8171 6.1228 6.1228 7.4666 7.4666 7.7032 7.7032 8.3046 8.3046 9.0681 9.0681 9.8373 9.8373 10.2172 10.2172 10.7809 10.7809 k = 0.0990 0.4678 0.9107 ( 2480 PWs) bands (ev): 1.7489 1.7489 1.7645 1.7645 2.0617 2.0617 2.1254 2.1254 2.1967 2.1967 4.8387 4.8387 6.1696 6.1696 7.4705 7.4705 7.6816 7.6816 8.2387 8.2387 9.0622 9.0622 9.8803 9.8803 10.2395 10.2395 10.8488 10.8488 k = 0.1042 0.4552 0.9243 ( 2482 PWs) bands (ev): 1.7484 1.7484 1.7645 1.7645 2.0593 2.0593 2.1301 2.1301 2.1969 2.1969 4.8614 4.8614 6.2149 6.2149 7.4698 7.4698 7.6624 7.6624 8.1748 8.1748 9.0600 9.0600 9.9257 9.9257 10.2661 10.2661 10.9176 10.9176 k = 0.1094 0.4427 0.9379 ( 2488 PWs) bands (ev): 1.7477 1.7477 1.7643 1.7643 2.0566 2.0566 2.1349 2.1349 2.1975 2.1975 4.8852 4.8852 6.2579 6.2579 7.4646 7.4646 7.6458 7.6458 8.1140 8.1140 9.0607 9.0607 9.9730 9.9730 10.2980 10.2980 10.9872 10.9872 k = 0.1146 0.4301 0.9515 ( 2492 PWs) bands (ev): 1.7467 1.7467 1.7640 1.7640 2.0538 2.0538 2.1396 2.1396 2.1988 2.1988 4.9101 4.9101 6.2979 6.2979 7.4550 7.4550 7.6313 7.6313 8.0576 8.0576 9.0634 9.0634 10.0217 10.0217 10.3363 10.3363 11.0576 11.0576 k = 0.1198 0.4176 0.9651 ( 2492 PWs) bands (ev): 1.7456 1.7456 1.7634 1.7634 2.0509 2.0509 2.1439 2.1439 2.2009 2.2009 4.9361 4.9361 6.3341 6.3341 7.4414 7.4414 7.6177 7.6177 8.0079 8.0079 9.0671 9.0671 10.0712 10.0712 10.3817 10.3817 11.1289 11.1289 k = 0.1250 0.4050 0.9787 ( 2490 PWs) bands (ev): 1.7443 1.7443 1.7627 1.7627 2.0480 2.0480 2.1476 2.1476 2.2040 2.2040 4.9631 4.9631 6.3659 6.3659 7.4241 7.4241 7.6029 7.6029 7.9676 7.9676 9.0710 9.0710 10.1209 10.1209 10.4349 10.4349 11.2011 11.2011 k = 0.1302 0.3925 0.9922 ( 2488 PWs) bands (ev): 1.7427 1.7427 1.7618 1.7618 2.0450 2.0450 2.1506 2.1506 2.2082 2.2082 4.9910 4.9910 6.3928 6.3928 7.4037 7.4037 7.5841 7.5841 7.9403 7.9403 9.0744 9.0744 10.1703 10.1703 10.4963 10.4963 11.2741 11.2741 k = 0.1354 0.3799 1.0058 ( 2492 PWs) bands (ev): 1.7408 1.7408 1.7608 1.7608 2.0419 2.0419 2.1527 2.1527 2.2132 2.2132 5.0198 5.0198 6.4146 6.4146 7.3805 7.3805 7.5588 7.5588 7.9287 7.9287 9.0767 9.0767 10.2186 10.2186 10.5660 10.5660 11.3481 11.3481 k = 0.1406 0.3674 1.0194 ( 2488 PWs) bands (ev): 1.7388 1.7388 1.7597 1.7597 2.0389 2.0389 2.1542 2.1542 2.2192 2.2192 5.0494 5.0494 6.4313 6.4313 7.3551 7.3551 7.5262 7.5262 7.9339 7.9339 9.0777 9.0777 10.2652 10.2652 10.6439 10.6439 11.4230 11.4230 k = 0.1458 0.3548 1.0330 ( 2486 PWs) bands (ev): 1.7367 1.7367 1.7586 1.7586 2.0359 2.0359 2.1551 2.1551 2.2258 2.2258 5.0796 5.0796 6.4431 6.4431 7.3279 7.3279 7.4874 7.4874 7.9544 7.9544 9.0771 9.0771 10.3093 10.3093 10.7298 10.7298 11.4988 11.4988 k = 0.1510 0.3423 1.0466 ( 2484 PWs) bands (ev): 1.7344 1.7344 1.7574 1.7574 2.0330 2.0330 2.1555 2.1555 2.2329 2.2329 5.1105 5.1105 6.4503 6.4503 7.2994 7.2994 7.4445 7.4445 7.9878 7.9878 9.0751 9.0751 10.3503 10.3503 10.8230 10.8230 11.5757 11.5757 k = 0.1562 0.3297 1.0602 ( 2484 PWs) bands (ev): 1.7319 1.7319 1.7562 1.7562 2.0301 2.0301 2.1555 2.1555 2.2402 2.2402 5.1418 5.1418 6.4536 6.4536 7.2700 7.2700 7.3994 7.3994 8.0316 8.0316 9.0717 9.0717 10.3875 10.3875 10.9229 10.9229 11.6535 11.6535 k = 0.1615 0.3171 1.0738 ( 2482 PWs) bands (ev): 1.7294 1.7294 1.7550 1.7550 2.0273 2.0273 2.1553 2.1553 2.2477 2.2477 5.1735 5.1735 6.4534 6.4534 7.2400 7.2400 7.3536 7.3536 8.0835 8.0835 9.0673 9.0673 10.4203 10.4203 11.0287 11.0287 11.7320 11.7320 k = 0.1667 0.3046 1.0874 ( 2482 PWs) bands (ev): 1.7268 1.7268 1.7538 1.7538 2.0246 2.0246 2.1548 2.1548 2.2551 2.2551 5.2053 5.2053 6.4506 6.4506 7.2097 7.2097 7.3081 7.3081 8.1419 8.1419 9.0621 9.0621 10.4482 10.4482 11.1393 11.1393 11.8111 11.8111 k = 0.1719 0.2920 1.1010 ( 2484 PWs) bands (ev): 1.7242 1.7242 1.7526 1.7526 2.0219 2.0219 2.1543 2.1543 2.2624 2.2624 5.2371 5.2371 6.4456 6.4456 7.1794 7.1794 7.2637 7.2637 8.2052 8.2052 9.0564 9.0564 10.4710 10.4710 11.2535 11.2535 11.8895 11.8895 k = 0.1771 0.2795 1.1146 ( 2484 PWs) bands (ev): 1.7216 1.7216 1.7514 1.7514 2.0194 2.0194 2.1537 2.1537 2.2695 2.2695 5.2687 5.2687 6.4390 6.4390 7.1495 7.1495 7.2209 7.2209 8.2721 8.2721 9.0504 9.0504 10.4882 10.4882 11.3697 11.3697 11.9145 11.9145 k = 0.1823 0.2669 1.1282 ( 2480 PWs) bands (ev): 1.7191 1.7191 1.7503 1.7503 2.0171 2.0171 2.1530 2.1530 2.2763 2.2763 5.2999 5.2999 6.4313 6.4313 7.1201 7.1201 7.1801 7.1801 8.3415 8.3415 9.0444 9.0444 10.4999 10.4999 11.4845 11.4845 11.8626 11.8626 k = 0.1875 0.2544 1.1418 ( 2484 PWs) bands (ev): 1.7166 1.7166 1.7492 1.7492 2.0148 2.0148 2.1523 2.1523 2.2828 2.2828 5.3305 5.3305 6.4230 6.4230 7.0914 7.0914 7.1416 7.1416 8.4124 8.4124 9.0386 9.0386 10.5061 10.5061 11.5885 11.5885 11.8214 11.8214 k = 0.1927 0.2418 1.1554 ( 2478 PWs) bands (ev): 1.7143 1.7143 1.7482 1.7482 2.0128 2.0128 2.1516 2.1516 2.2890 2.2890 5.3602 5.3602 6.4143 6.4143 7.0637 7.0637 7.1056 7.1056 8.4837 8.4837 9.0331 9.0331 10.5070 10.5070 11.6449 11.6449 11.8291 11.8291 k = 0.1979 0.2293 1.1689 ( 2476 PWs) bands (ev): 1.7121 1.7121 1.7472 1.7472 2.0109 2.0109 2.1509 2.1509 2.2947 2.2947 5.3887 5.3887 6.4057 6.4057 7.0373 7.0373 7.0723 7.0723 8.5545 8.5545 9.0281 9.0281 10.5029 10.5029 11.6279 11.6279 11.9114 11.9114 k = 0.2031 0.2167 1.1825 ( 2478 PWs) bands (ev): 1.7100 1.7100 1.7463 1.7463 2.0091 2.0091 2.1502 2.1502 2.2999 2.2999 5.4157 5.4157 6.3973 6.3973 7.0122 7.0122 7.0419 7.0419 8.6238 8.6238 9.0238 9.0238 10.4944 10.4944 11.5853 11.5853 12.0197 12.0197 k = 0.2083 0.2042 1.1961 ( 2480 PWs) bands (ev): 1.7080 1.7080 1.7454 1.7454 2.0075 2.0075 2.1496 2.1496 2.3046 2.3046 5.4411 5.4411 6.3894 6.3894 6.9887 6.9887 7.0145 7.0145 8.6905 8.6905 9.0202 9.0202 10.4821 10.4821 11.5392 11.5392 12.1316 12.1316 k = 0.2135 0.1916 1.2097 ( 2480 PWs) bands (ev): 1.7063 1.7063 1.7447 1.7447 2.0061 2.0061 2.1490 2.1490 2.3089 2.3089 5.4644 5.4644 6.3821 6.3821 6.9672 6.9672 6.9903 6.9903 8.7535 8.7535 9.0174 9.0174 10.4671 10.4671 11.4948 11.4948 12.2404 12.2404 k = 0.2188 0.1790 1.2233 ( 2474 PWs) bands (ev): 1.7048 1.7048 1.7440 1.7440 2.0049 2.0049 2.1485 2.1485 2.3126 2.3126 5.4854 5.4854 6.3756 6.3756 6.9478 6.9478 6.9691 6.9691 8.8115 8.8115 9.0156 9.0156 10.4502 10.4502 11.4541 11.4541 12.3425 12.3426 k = 0.2240 0.1665 1.2369 ( 2478 PWs) bands (ev): 1.7034 1.7034 1.7434 1.7434 2.0038 2.0038 2.1480 2.1480 2.3157 2.3157 5.5038 5.5038 6.3699 6.3699 6.9310 6.9310 6.9511 6.9511 8.8628 8.8628 9.0150 9.0150 10.4326 10.4326 11.4184 11.4184 12.4347 12.4347 k = 0.2292 0.1539 1.2505 ( 2480 PWs) bands (ev): 1.7023 1.7023 1.7429 1.7429 2.0030 2.0030 2.1477 2.1477 2.3183 2.3183 5.5192 5.5192 6.3652 6.3652 6.9168 6.9168 6.9363 6.9363 8.9058 8.9058 9.0163 9.0163 10.4157 10.4157 11.3883 11.3883 12.5136 12.5136 k = 0.2344 0.1414 1.2641 ( 2480 PWs) bands (ev): 1.7015 1.7015 1.7425 1.7425 2.0023 2.0023 2.1474 2.1474 2.3203 2.3203 5.5316 5.5316 6.3614 6.3614 6.9056 6.9056 6.9247 6.9247 8.9383 8.9383 9.0200 9.0200 10.4007 10.4007 11.3644 11.3644 12.5759 12.5759 k = 0.2396 0.1288 1.2777 ( 2482 PWs) bands (ev): 1.7008 1.7008 1.7423 1.7423 2.0018 2.0018 2.1471 2.1471 2.3218 2.3218 5.5405 5.5405 6.3588 6.3588 6.8975 6.8975 6.9163 6.9163 8.9589 8.9589 9.0265 9.0265 10.3889 10.3889 11.3470 11.3470 12.6198 12.6198 k = 0.2448 0.1163 1.2913 ( 2480 PWs) bands (ev): 1.7005 1.7005 1.7421 1.7421 2.0015 2.0015 2.1470 2.1470 2.3227 2.3227 5.5460 5.5460 6.3571 6.3571 6.8926 6.8926 6.9113 6.9113 8.9690 8.9690 9.0330 9.0330 10.3813 10.3813 11.3365 11.3365 12.6455 12.6455 k = 0.2500 0.1037 1.3049 ( 2484 PWs) bands (ev): 1.7003 1.7003 1.7420 1.7420 2.0014 2.0014 2.1470 2.1470 2.3229 2.3229 5.5478 5.5478 6.3566 6.3566 6.8910 6.8910 6.9096 6.9096 8.9719 8.9719 9.0358 9.0358 10.3787 10.3787 11.3330 11.3330 12.6539 12.6539 k = 0.2500 0.1037 1.3049 ( 2484 PWs) bands (ev): 1.7003 1.7003 1.7420 1.7420 2.0014 2.0014 2.1470 2.1470 2.3229 2.3229 5.5478 5.5478 6.3566 6.3566 6.8910 6.8910 6.9096 6.9096 8.9719 8.9719 9.0358 9.0358 10.3787 10.3787 11.3330 11.3330 12.6539 12.6539 k = 0.2656 0.1102 1.2978 ( 2482 PWs) bands (ev): 1.7003 1.7003 1.7421 1.7421 2.0014 2.0014 2.1470 2.1470 2.3229 2.3229 5.5472 5.5472 6.3575 6.3575 6.8678 6.8678 6.9350 6.9350 8.9164 8.9164 9.0911 9.0911 10.3697 10.3697 11.3465 11.3465 12.6004 12.6004 k = 0.2812 0.1167 1.2908 ( 2482 PWs) bands (ev): 1.7003 1.7003 1.7421 1.7421 2.0014 2.0014 2.1470 2.1470 2.3228 2.3228 5.5457 5.5457 6.3603 6.3603 6.8395 6.8395 6.9695 6.9695 8.8376 8.8376 9.1697 9.1697 10.3445 10.3445 11.3853 11.3853 12.5098 12.5098 k = 0.2969 0.1232 1.2838 ( 2482 PWs) bands (ev): 1.7003 1.7003 1.7422 1.7422 2.0015 2.0015 2.1471 2.1471 2.3226 2.3226 5.5433 5.5433 6.3648 6.3648 6.8130 6.8130 7.0059 7.0059 8.7569 8.7569 9.2500 9.2500 10.3073 10.3073 11.4452 11.4452 12.4129 12.4129 k = 0.3125 0.1296 1.2768 ( 2482 PWs) bands (ev): 1.7003 1.7003 1.7424 1.7424 2.0016 2.0016 2.1472 2.1472 2.3223 2.3223 5.5403 5.5403 6.3708 6.3708 6.7886 6.7886 7.0434 7.0434 8.6761 8.6761 9.3302 9.3302 10.2627 10.2627 11.5216 11.5216 12.3147 12.3147 k = 0.3281 0.1361 1.2698 ( 2479 PWs) bands (ev): 1.7003 1.7003 1.7426 1.7426 2.0017 2.0017 2.1473 2.1473 2.3220 2.3220 5.5369 5.5369 6.3783 6.3783 6.7666 6.7666 7.0812 7.0812 8.5961 8.5961 9.4094 9.4094 10.2151 10.2151 11.6104 11.6104 12.2170 12.2170 k = 0.3438 0.1426 1.2628 ( 2489 PWs) bands (ev): 1.7003 1.7003 1.7427 1.7427 2.0017 2.0017 2.1473 2.1473 2.3216 2.3216 5.5334 5.5334 6.3870 6.3870 6.7469 6.7469 7.1188 7.1188 8.5176 8.5176 9.4870 9.4870 10.1674 10.1674 11.7084 11.7084 12.1211 12.1211 k = 0.3594 0.1491 1.2557 ( 2489 PWs) bands (ev): 1.7003 1.7003 1.7430 1.7430 2.0019 2.0019 2.1474 2.1474 2.3211 2.3211 5.5298 5.5298 6.3968 6.3968 6.7295 6.7295 7.1553 7.1553 8.4413 8.4413 9.5621 9.5621 10.1220 10.1220 11.8130 11.8130 12.0280 12.0280 k = 0.3750 0.1556 1.2487 ( 2483 PWs) bands (ev): 1.7004 1.7004 1.7433 1.7433 2.0021 2.0021 2.1476 2.1476 2.3206 2.3206 5.5264 5.5264 6.4073 6.4073 6.7146 6.7146 7.1897 7.1897 8.3682 8.3682 9.6338 9.6338 10.0807 10.0807 11.9194 11.9194 11.9420 11.9420 k = 0.3906 0.1620 1.2417 ( 2482 PWs) bands (ev): 1.7005 1.7005 1.7436 1.7436 2.0023 2.0023 2.1478 2.1478 2.3199 2.3199 5.5232 5.5232 6.4184 6.4184 6.7021 6.7021 7.2211 7.2211 8.2993 8.2993 9.7010 9.7010 10.0447 10.0447 11.8540 11.8540 12.0363 12.0363 k = 0.4062 0.1685 1.2347 ( 2481 PWs) bands (ev): 1.7007 1.7007 1.7439 1.7439 2.0026 2.0026 2.1480 2.1480 2.3192 2.3192 5.5203 5.5203 6.4297 6.4297 6.6921 6.6921 7.2483 7.2483 8.2359 8.2359 9.7625 9.7625 10.0148 10.0148 11.7764 11.7764 12.1510 12.1510 k = 0.4219 0.1750 1.2277 ( 2485 PWs) bands (ev): 1.7008 1.7008 1.7442 1.7442 2.0028 2.0028 2.1482 2.1482 2.3184 2.3184 5.5179 5.5179 6.4409 6.4409 6.6845 6.6845 7.2699 7.2699 8.1795 8.1795 9.8166 9.8166 9.9918 9.9918 11.7065 11.7065 12.2663 12.2663 k = 0.4375 0.1815 1.2207 ( 2485 PWs) bands (ev): 1.7011 1.7011 1.7445 1.7445 2.0031 2.0031 2.1484 2.1484 2.3175 2.3175 5.5159 5.5159 6.4518 6.4518 6.6794 6.6794 7.2846 7.2846 8.1317 8.1317 9.8618 9.8618 9.9762 9.9762 11.6459 11.6459 12.3806 12.3806 k = 0.4531 0.1880 1.2136 ( 2484 PWs) bands (ev): 1.7014 1.7014 1.7448 1.7448 2.0034 2.0034 2.1486 2.1486 2.3166 2.3166 5.5143 5.5143 6.4619 6.4619 6.6767 6.6767 7.2913 7.2913 8.0939 8.0939 9.8961 9.8961 9.9686 9.9686 11.5961 11.5961 12.4915 12.4915 k = 0.4688 0.1945 1.2066 ( 2482 PWs) bands (ev): 1.7019 1.7019 1.7451 1.7451 2.0038 2.0038 2.1488 2.1488 2.3156 2.3156 5.5130 5.5130 6.4710 6.4710 6.6766 6.6766 7.2895 7.2895 8.0671 8.0671 9.9180 9.9180 9.9690 9.9690 11.5585 11.5585 12.5953 12.5953 k = 0.4844 0.2009 1.1996 ( 2478 PWs) bands (ev): 1.7024 1.7024 1.7455 1.7455 2.0043 2.0043 2.1490 2.1490 2.3145 2.3145 5.5120 5.5120 6.4785 6.4785 6.6789 6.6789 7.2795 7.2795 8.0515 8.0515 9.9277 9.9277 9.9762 9.9762 11.5339 11.5339 12.6831 12.6831 k = 0.5000 0.2074 1.1926 ( 2476 PWs) bands (ev): 1.7030 1.7030 1.7458 1.7458 2.0048 2.0048 2.1492 2.1492 2.3133 2.3133 5.5111 5.5111 6.4841 6.4841 6.6836 6.6836 7.2626 7.2626 8.0464 8.0464 9.9253 9.9253 9.9892 9.9892 11.5225 11.5225 12.7287 12.7287 k = 0.5000 0.2074 1.1926 ( 2476 PWs) bands (ev): 1.7030 1.7030 1.7458 1.7458 2.0048 2.0048 2.1492 2.1492 2.3133 2.3133 5.5111 5.5111 6.4841 6.4841 6.6836 6.6836 7.2626 7.2626 8.0464 8.0464 9.9253 9.9253 9.9892 9.9892 11.5225 11.5225 12.7287 12.7287 k = 0.5000 0.2074 1.1734 ( 2476 PWs) bands (ev): 1.7047 1.7047 1.7466 1.7466 2.0062 2.0062 2.1496 2.1496 2.3098 2.3098 5.5075 5.5075 6.4976 6.4976 6.7013 6.7013 7.2068 7.2068 8.0461 8.0461 9.8976 9.8976 10.0365 10.0365 11.5080 11.5080 12.7541 12.7541 k = 0.5000 0.2074 1.1541 ( 2480 PWs) bands (ev): 1.7067 1.7067 1.7475 1.7475 2.0078 2.0078 2.1501 2.1501 2.3057 2.3057 5.5014 5.5014 6.5130 6.5130 6.7218 6.7218 7.1497 7.1497 8.0458 8.0458 9.8647 9.8647 10.0855 10.0855 11.4911 11.4911 12.7714 12.7714 k = 0.5000 0.2074 1.1349 ( 2474 PWs) bands (ev): 1.7089 1.7089 1.7485 1.7485 2.0096 2.0096 2.1507 2.1507 2.3013 2.3013 5.4919 5.4919 6.5300 6.5300 6.7449 6.7449 7.0935 7.0935 8.0454 8.0454 9.8278 9.8278 10.1336 10.1336 11.4719 11.4719 12.7325 12.7325 k = 0.5000 0.2074 1.1156 ( 2478 PWs) bands (ev): 1.7113 1.7113 1.7497 1.7497 2.0116 2.0116 2.1512 2.1512 2.2962 2.2962 5.4780 5.4780 6.5486 6.5486 6.7706 6.7706 7.0402 7.0402 8.0451 8.0451 9.7872 9.7872 10.1791 10.1791 11.4503 11.4503 12.6538 12.6538 k = 0.5000 0.2074 1.0964 ( 2486 PWs) bands (ev): 1.7138 1.7138 1.7508 1.7508 2.0138 2.0138 2.1517 2.1517 2.2907 2.2907 5.4587 5.4587 6.5684 6.5684 6.7989 6.7989 6.9919 6.9919 8.0448 8.0448 9.7431 9.7431 10.2205 10.2205 11.4264 11.4264 12.5629 12.5629 k = 0.5000 0.2074 1.0772 ( 2486 PWs) bands (ev): 1.7165 1.7165 1.7522 1.7522 2.0162 2.0162 2.1523 2.1523 2.2849 2.2849 5.4331 5.4331 6.5893 6.5893 6.8298 6.8298 6.9504 6.9504 8.0447 8.0447 9.6960 9.6960 10.2567 10.2567 11.4001 11.4001 12.4651 12.4651 k = 0.5000 0.2074 1.0579 ( 2492 PWs) bands (ev): 1.7194 1.7194 1.7535 1.7535 2.0187 2.0187 2.1528 2.1528 2.2787 2.2787 5.4005 5.4005 6.6109 6.6109 6.8629 6.8629 6.9173 6.9173 8.0447 8.0447 9.6461 9.6461 10.2870 10.2870 11.3714 11.3714 12.3630 12.3630 k = 0.5000 0.2074 1.0387 ( 2488 PWs) bands (ev): 1.7224 1.7224 1.7550 1.7550 2.0215 2.0215 2.1533 2.1533 2.2722 2.2722 5.3603 5.3603 6.6330 6.6330 6.8901 6.8901 6.9019 6.9019 8.0451 8.0451 9.5935 9.5935 10.3109 10.3109 11.3405 11.3405 12.2582 12.2582 k = 0.5000 0.2074 1.0195 ( 2480 PWs) bands (ev): 1.7255 1.7255 1.7565 1.7565 2.0245 2.0245 2.1537 2.1537 2.2656 2.2656 5.3124 5.3124 6.6549 6.6549 6.8781 6.8781 6.9378 6.9378 8.0459 8.0459 9.5387 9.5387 10.3282 10.3282 11.3073 11.3073 12.1524 12.1524 k = 0.5000 0.2074 1.0002 ( 2482 PWs) bands (ev): 1.7287 1.7287 1.7580 1.7580 2.0275 2.0275 2.1541 2.1541 2.2585 2.2585 5.2571 5.2571 6.6764 6.6764 6.8739 6.8739 6.9781 6.9781 8.0475 8.0475 9.4817 9.4817 10.3389 10.3389 11.2719 11.2719 12.0469 12.0469 k = 0.5000 0.2074 0.9810 ( 2480 PWs) bands (ev): 1.7319 1.7319 1.7597 1.7597 2.0308 2.0308 2.1543 2.1543 2.2513 2.2513 5.1949 5.1949 6.6967 6.6967 6.8793 6.8793 7.0208 7.0208 8.0500 8.0500 9.4230 9.4230 10.3432 10.3432 11.2343 11.2343 11.9430 11.9430 k = 0.5000 0.2074 0.9618 ( 2488 PWs) bands (ev): 1.7350 1.7350 1.7612 1.7612 2.0341 2.0341 2.1545 2.1545 2.2438 2.2438 5.1266 5.1266 6.7152 6.7152 6.8938 6.8938 7.0657 7.0657 8.0539 8.0539 9.3627 9.3627 10.3414 10.3414 11.1948 11.1948 11.8419 11.8419 k = 0.5000 0.2074 0.9425 ( 2488 PWs) bands (ev): 1.7381 1.7381 1.7629 1.7629 2.0376 2.0376 2.1545 2.1545 2.2363 2.2363 5.0531 5.0531 6.7311 6.7311 6.9165 6.9165 7.1127 7.1127 8.0596 8.0596 9.3012 9.3012 10.3341 10.3341 11.1533 11.1533 11.7444 11.7444 k = 0.5000 0.2074 0.9233 ( 2484 PWs) bands (ev): 1.7412 1.7412 1.7646 1.7646 2.0413 2.0413 2.1545 2.1545 2.2287 2.2287 4.9753 4.9753 6.7437 6.7437 6.9466 6.9466 7.1617 7.1617 8.0677 8.0677 9.2385 9.2385 10.3217 10.3217 11.1100 11.1100 11.6515 11.6515 k = 0.5000 0.2074 0.9041 ( 2492 PWs) bands (ev): 1.7442 1.7442 1.7662 1.7662 2.0449 2.0449 2.1542 2.1542 2.2209 2.2209 4.8942 4.8942 6.7520 6.7520 6.9832 6.9832 7.2127 7.2127 8.0786 8.0786 9.1749 9.1749 10.3049 10.3049 11.0651 11.0651 11.5640 11.5640 k = 0.5000 0.2074 0.8848 ( 2484 PWs) bands (ev): 1.7472 1.7472 1.7679 1.7679 2.0489 2.0489 2.1539 2.1539 2.2133 2.2133 4.8105 4.8105 6.7552 6.7552 7.0253 7.0253 7.2655 7.2655 8.0931 8.0931 9.1107 9.1107 10.2845 10.2845 11.0187 11.0187 11.4825 11.4825 k = 0.5000 0.2074 0.8656 ( 2484 PWs) bands (ev): 1.7499 1.7499 1.7695 1.7695 2.0529 2.0529 2.1533 2.1533 2.2056 2.2056 4.7249 4.7249 6.7525 6.7525 7.0721 7.0721 7.3200 7.3200 8.1117 8.1117 9.0461 9.0461 10.2611 10.2611 10.9710 10.9710 11.4076 11.4076 k = 0.5000 0.2074 0.8464 ( 2484 PWs) bands (ev): 1.7526 1.7526 1.7711 1.7711 2.0569 2.0569 2.1525 2.1525 2.1981 2.1981 4.6382 4.6382 6.7430 6.7430 7.1226 7.1226 7.3761 7.3761 8.1351 8.1351 8.9812 8.9812 10.2356 10.2356 10.9222 10.9222 11.3398 11.3398 k = 0.5000 0.2074 0.8271 ( 2480 PWs) bands (ev): 1.7550 1.7550 1.7727 1.7727 2.0611 2.0611 2.1514 2.1514 2.1908 2.1908 4.5508 4.5508 6.7264 6.7264 7.1761 7.1761 7.4338 7.4338 8.1637 8.1637 8.9164 8.9164 10.2087 10.2087 10.8725 10.8725 11.2793 11.2793 k = 0.5000 0.2074 0.8079 ( 2480 PWs) bands (ev): 1.7573 1.7573 1.7741 1.7741 2.0654 2.0654 2.1501 2.1501 2.1837 2.1837 4.4632 4.4632 6.7022 6.7022 7.2317 7.2317 7.4928 7.4928 8.1980 8.1980 8.8517 8.8517 10.1813 10.1813 10.8220 10.8220 11.2264 11.2264 k = 0.5000 0.2074 0.7886 ( 2488 PWs) bands (ev): 1.7594 1.7594 1.7753 1.7753 2.0696 2.0696 2.1483 2.1483 2.1769 2.1769 4.3759 4.3759 6.6703 6.6703 7.2885 7.2885 7.5530 7.5530 8.2380 8.2380 8.7874 8.7874 10.1543 10.1543 10.7709 10.7709 11.1813 11.1813 k = 0.5000 0.2074 0.7694 ( 2492 PWs) bands (ev): 1.7612 1.7612 1.7764 1.7764 2.0740 2.0740 2.1462 2.1462 2.1706 2.1706 4.2891 4.2891 6.6307 6.6307 7.3456 7.3456 7.6142 7.6142 8.2838 8.2838 8.7239 8.7239 10.1287 10.1287 10.7194 10.7194 11.1440 11.1440 k = 0.5000 0.2074 0.7502 ( 2488 PWs) bands (ev): 1.7629 1.7629 1.7775 1.7775 2.0785 2.0785 2.1435 2.1435 2.1649 2.1649 4.2031 4.2031 6.5839 6.5839 7.4021 7.4021 7.6761 7.6761 8.3354 8.3354 8.6614 8.6614 10.1054 10.1054 10.6675 10.6675 11.1145 11.1145 k = 0.5000 0.2074 0.7309 ( 2492 PWs) bands (ev): 1.7643 1.7643 1.7783 1.7783 2.0829 2.0829 2.1402 2.1402 2.1599 2.1599 4.1182 4.1182 6.5301 6.5301 7.4570 7.4570 7.7385 7.7385 8.3924 8.3924 8.6003 8.6003 10.0853 10.0853 10.6155 10.6155 11.0926 11.0926 k = 0.5000 0.2074 0.7117 ( 2496 PWs) bands (ev): 1.7655 1.7655 1.7789 1.7789 2.0874 2.0874 2.1363 2.1363 2.1556 2.1556 4.0346 4.0346 6.4700 6.4700 7.5095 7.5095 7.8007 7.8007 8.4543 8.4543 8.5416 8.5416 10.0695 10.0695 10.5633 10.5633 11.0780 11.0780 k = 0.5000 0.2074 0.6925 ( 2500 PWs) bands (ev): 1.7665 1.7665 1.7794 1.7794 2.0919 2.0919 2.1319 2.1319 2.1520 2.1520 3.9525 3.9525 6.4043 6.4043 7.5584 7.5584 7.8619 7.8619 8.4813 8.4813 8.5256 8.5256 10.0588 10.0588 10.5113 10.5113 11.0705 11.0705 k = 0.5000 0.2074 0.6732 ( 2492 PWs) bands (ev): 1.7673 1.7673 1.7797 1.7797 2.0965 2.0965 2.1273 2.1273 2.1490 2.1490 3.8719 3.8719 6.3335 6.3335 7.6030 7.6030 7.9207 7.9207 8.4307 8.4307 8.5961 8.5961 10.0541 10.0541 10.4595 10.4595 11.0697 11.0697 k = 0.5000 0.2074 0.6540 ( 2496 PWs) bands (ev): 1.7679 1.7679 1.7796 1.7796 2.1009 2.1009 2.1226 2.1226 2.1462 2.1462 3.7932 3.7932 6.2585 6.2585 7.6423 7.6423 7.9742 7.9742 8.3855 8.3855 8.6728 8.6728 10.0561 10.0561 10.4080 10.4080 11.0752 11.0752 k = 0.5000 0.2074 0.6348 ( 2482 PWs) bands (ev): 1.7682 1.7682 1.7795 1.7795 2.1053 2.1053 2.1181 2.1181 2.1439 2.1439 3.7163 3.7163 6.1798 6.1798 7.6755 7.6755 8.0170 8.0170 8.3526 8.3527 8.7537 8.7537 10.0651 10.0651 10.3571 10.3571 11.0865 11.0865 k = 0.5000 0.2074 0.6155 ( 2482 PWs) bands (ev): 1.7683 1.7683 1.7790 1.7790 2.1094 2.1094 2.1137 2.1137 2.1417 2.1417 3.6413 3.6413 6.0981 6.0981 7.7022 7.7022 8.0403 8.0403 8.3409 8.3409 8.8387 8.8387 10.0811 10.0811 10.3070 10.3070 11.1032 11.1032 k = 0.5000 0.2074 0.5963 ( 2484 PWs) bands (ev): 1.7680 1.7680 1.7783 1.7783 2.1094 2.1094 2.1132 2.1132 2.1400 2.1400 3.5685 3.5685 6.0141 6.0141 7.7220 7.7220 8.0376 8.0376 8.3567 8.3567 8.9275 8.9275 10.1034 10.1034 10.2581 10.2581 11.1249 11.1249 k = 0.5000 0.2074 0.5771 ( 2484 PWs) bands (ev): 1.7675 1.7675 1.7774 1.7774 2.1056 2.1056 2.1161 2.1161 2.1391 2.1391 3.4977 3.4977 5.9283 5.9283 7.7348 7.7348 8.0133 8.0133 8.3957 8.3957 9.0197 9.0197 10.1292 10.1292 10.2125 10.2125 11.1510 11.1510 k = 0.5000 0.2074 0.5578 ( 2484 PWs) bands (ev): 1.7666 1.7666 1.7763 1.7763 2.1021 2.1021 2.1180 2.1180 2.1392 2.1392 3.4292 3.4292 5.8414 5.8414 7.7408 7.7408 7.9765 7.9765 8.4486 8.4486 9.1153 9.1153 10.1393 10.1393 10.1880 10.1880 11.1810 11.1810 k = 0.5000 0.2074 0.5386 ( 2478 PWs) bands (ev): 1.7655 1.7655 1.7751 1.7751 2.0989 2.0989 2.1184 2.1184 2.1408 2.1408 3.3629 3.3629 5.7537 5.7537 7.7403 7.7403 7.9340 7.9340 8.5087 8.5087 9.2140 9.2140 10.1042 10.1042 10.2120 10.2120 11.2145 11.2145 k = 0.5000 0.2074 0.5194 ( 2470 PWs) bands (ev): 1.7641 1.7641 1.7738 1.7738 2.0960 2.0960 2.1177 2.1177 2.1437 2.1437 3.2989 3.2989 5.6658 5.6658 7.7338 7.7338 7.8890 7.8890 8.5726 8.5726 9.3157 9.3157 10.0602 10.0602 10.2453 10.2453 11.2510 11.2510 k = 0.5000 0.2074 0.5001 ( 2474 PWs) bands (ev): 1.7622 1.7622 1.7723 1.7723 2.0933 2.0933 2.1161 2.1161 2.1472 2.1472 3.2373 3.2373 5.5780 5.5780 7.7220 7.7220 7.8432 7.8432 8.6384 8.6384 9.4202 9.4202 10.0160 10.0160 10.2762 10.2762 11.2900 11.2900 k = 0.5000 0.2074 0.4809 ( 2478 PWs) bands (ev): 1.7601 1.7601 1.7706 1.7706 2.0909 2.0909 2.1142 2.1142 2.1512 2.1512 3.1781 3.1781 5.4909 5.4909 7.7057 7.7057 7.7977 7.7977 8.7052 8.7052 9.5273 9.5273 9.9727 9.9727 10.3002 10.3002 11.3298 11.3299 k = 0.5000 0.2074 0.4616 ( 2478 PWs) bands (ev): 1.7577 1.7577 1.7689 1.7689 2.0887 2.0887 2.1120 2.1120 2.1554 2.1554 3.1213 3.1213 5.4047 5.4047 7.6854 7.6854 7.7529 7.7529 8.7721 8.7721 9.6367 9.6367 9.9306 9.9306 10.3142 10.3142 11.3571 11.3571 k = 0.5000 0.2074 0.4424 ( 2476 PWs) bands (ev): 1.7552 1.7552 1.7670 1.7670 2.0868 2.0868 2.1099 2.1099 2.1597 2.1597 3.0670 3.0670 5.3198 5.3198 7.6619 7.6619 7.7093 7.7093 8.8389 8.8389 9.7476 9.7476 9.8907 9.8907 10.3168 10.3168 11.3942 11.3942 k = 0.5000 0.2074 0.4232 ( 2480 PWs) bands (ev): 1.7524 1.7524 1.7648 1.7648 2.0850 2.0850 2.1078 2.1078 2.1641 2.1641 3.0151 3.0151 5.2365 5.2365 7.6358 7.6358 7.6671 7.6671 8.9051 8.9051 9.8355 9.8355 9.8775 9.8775 10.3083 10.3083 11.4477 11.4477 k = 0.5000 0.2074 0.4039 ( 2488 PWs) bands (ev): 1.7494 1.7494 1.7625 1.7625 2.0833 2.0833 2.1059 2.1059 2.1683 2.1683 2.9658 2.9658 5.1551 5.1551 7.6074 7.6074 7.6269 7.6269 8.9704 8.9704 9.8076 9.8076 9.9836 9.9836 10.2901 10.2901 11.5044 11.5044 k = 0.5000 0.2074 0.3847 ( 2488 PWs) bands (ev): 1.7464 1.7464 1.7600 1.7600 2.0818 2.0818 2.1042 2.1042 2.1726 2.1726 2.9190 2.9190 5.0758 5.0758 7.5764 7.5764 7.5895 7.5895 9.0346 9.0346 9.7717 9.7717 10.1012 10.1012 10.2645 10.2645 11.5536 11.5536 k = 0.5000 0.2074 0.3655 ( 2486 PWs) bands (ev): 1.7433 1.7433 1.7574 1.7574 2.0804 2.0804 2.1028 2.1028 2.1769 2.1769 2.8747 2.8747 4.9988 4.9988 7.5426 7.5426 7.5558 7.5558 9.0974 9.0974 9.7366 9.7366 10.2213 10.2213 10.2336 10.2336 11.6006 11.6006 k = 0.5000 0.2074 0.3462 ( 2478 PWs) bands (ev): 1.7403 1.7403 1.7546 1.7546 2.0789 2.0789 2.1017 2.1017 2.1811 2.1811 2.8329 2.8329 4.9245 4.9245 7.5078 7.5078 7.5245 7.5245 9.1585 9.1585 9.7030 9.7030 10.1992 10.1992 10.3432 10.3432 11.6468 11.6468 k = 0.5000 0.2074 0.3270 ( 2472 PWs) bands (ev): 1.7372 1.7372 1.7516 1.7516 2.0775 2.0775 2.1010 2.1010 2.1852 2.1852 2.7937 2.7937 4.8529 4.8529 7.4739 7.4739 7.4941 7.4941 9.2177 9.2177 9.6710 9.6710 10.1629 10.1629 10.4665 10.4665 11.6922 11.6922 k = 0.5000 0.2074 0.3078 ( 2464 PWs) bands (ev): 1.7342 1.7342 1.7486 1.7486 2.0761 2.0761 2.1005 2.1005 2.1892 2.1892 2.7569 2.7569 4.7843 4.7843 7.4415 7.4415 7.4645 7.4645 9.2748 9.2748 9.6407 9.6407 10.1257 10.1257 10.5910 10.5910 11.7367 11.7367 k = 0.5000 0.2074 0.2885 ( 2464 PWs) bands (ev): 1.7312 1.7312 1.7453 1.7453 2.0746 2.0746 2.1003 2.1003 2.1930 2.1930 2.7227 2.7227 4.7189 4.7189 7.4108 7.4108 7.4358 7.4358 9.3294 9.3294 9.6122 9.6122 10.0887 10.0887 10.7162 10.7162 11.7802 11.7802 k = 0.5000 0.2074 0.2693 ( 2464 PWs) bands (ev): 1.7282 1.7282 1.7419 1.7419 2.0731 2.0731 2.1004 2.1004 2.1967 2.1967 2.6910 2.6910 4.6569 4.6569 7.3819 7.3819 7.4082 7.4082 9.3813 9.3813 9.5857 9.5857 10.0524 10.0524 10.8418 10.8418 11.8226 11.8226 k = 0.5000 0.2074 0.2501 ( 2460 PWs) bands (ev): 1.7255 1.7255 1.7386 1.7386 2.0717 2.0717 2.1007 2.1007 2.2002 2.2002 2.6617 2.6617 4.5983 4.5983 7.3548 7.3548 7.3817 7.3817 9.4298 9.4298 9.5616 9.5616 10.0173 10.0173 10.9672 10.9672 11.8639 11.8639 k = 0.5000 0.2074 0.2308 ( 2456 PWs) bands (ev): 1.7228 1.7228 1.7352 1.7352 2.0703 2.0703 2.1012 2.1012 2.2035 2.2035 2.6349 2.6349 4.5434 4.5434 7.3296 7.3296 7.3567 7.3567 9.4728 9.4728 9.5418 9.5418 9.9839 9.9839 11.0916 11.0916 11.9043 11.9043 k = 0.5000 0.2074 0.2116 ( 2456 PWs) bands (ev): 1.7203 1.7203 1.7318 1.7318 2.0689 2.0689 2.1018 2.1018 2.2066 2.2066 2.6104 2.6104 4.4923 4.4923 7.3064 7.3064 7.3332 7.3332 9.4961 9.4961 9.5405 9.5405 9.9526 9.9526 11.2141 11.2141 11.9441 11.9441 k = 0.5000 0.2074 0.1924 ( 2452 PWs) bands (ev): 1.7179 1.7179 1.7284 1.7284 2.0676 2.0676 2.1026 2.1026 2.2096 2.2096 2.5883 2.5883 4.4451 4.4451 7.2851 7.2851 7.3114 7.3114 9.4866 9.4866 9.5704 9.5704 9.9235 9.9235 11.3331 11.3331 11.9839 11.9839 k = 0.5000 0.2074 0.1731 ( 2450 PWs) bands (ev): 1.7157 1.7157 1.7252 1.7252 2.0664 2.0664 2.1034 2.1034 2.2123 2.2123 2.5685 2.5685 4.4020 4.4020 7.2658 7.2658 7.2914 7.2914 9.4709 9.4709 9.6050 9.6050 9.8969 9.8969 11.4468 11.4468 12.0247 12.0247 k = 0.5000 0.2074 0.1539 ( 2442 PWs) bands (ev): 1.7138 1.7138 1.7222 1.7222 2.0653 2.0653 2.1043 2.1043 2.2148 2.2148 2.5510 2.5510 4.3631 4.3631 7.2485 7.2485 7.2733 7.2733 9.4555 9.4555 9.6372 9.6372 9.8731 9.8731 11.5526 11.5526 12.0676 12.0676 k = 0.5000 0.2074 0.1346 ( 2442 PWs) bands (ev): 1.7120 1.7120 1.7194 1.7194 2.0643 2.0643 2.1051 2.1051 2.2170 2.2170 2.5357 2.5357 4.3284 4.3284 7.2332 7.2332 7.2572 7.2572 9.4416 9.4416 9.6658 9.6658 9.8524 9.8524 11.6473 11.6473 12.1140 12.1140 k = 0.5000 0.2074 0.1154 ( 2438 PWs) bands (ev): 1.7104 1.7104 1.7169 1.7169 2.0634 2.0634 2.1059 2.1059 2.2190 2.2190 2.5226 2.5226 4.2982 4.2982 7.2200 7.2200 7.2431 7.2431 9.4294 9.4294 9.6902 9.6902 9.8350 9.8350 11.7278 11.7278 12.1647 12.1647 k = 0.5000 0.2074 0.0962 ( 2436 PWs) bands (ev): 1.7091 1.7091 1.7147 1.7147 2.0626 2.0626 2.1066 2.1066 2.2207 2.2207 2.5115 2.5115 4.2725 4.2725 7.2087 7.2087 7.2311 7.2311 9.4190 9.4190 9.7099 9.7099 9.8214 9.8214 11.7922 11.7922 12.2186 12.2186 k = 0.5000 0.2074 0.0769 ( 2436 PWs) bands (ev): 1.7080 1.7080 1.7128 1.7128 2.0619 2.0619 2.1072 2.1072 2.2221 2.2221 2.5026 2.5026 4.2513 4.2513 7.1995 7.1995 7.2212 7.2212 9.4105 9.4105 9.7243 9.7243 9.8120 9.8120 11.8406 11.8406 12.2721 12.2721 k = 0.5000 0.2074 0.0577 ( 2440 PWs) bands (ev): 1.7070 1.7070 1.7113 1.7113 2.0614 2.0614 2.1077 2.1077 2.2232 2.2232 2.4956 2.4956 4.2347 4.2347 7.1923 7.1923 7.2135 7.2135 9.4038 9.4038 9.7333 9.7333 9.8069 9.8069 11.8750 11.8750 12.3197 12.3197 k = 0.5000 0.2074 0.0385 ( 2440 PWs) bands (ev): 1.7064 1.7064 1.7102 1.7102 2.0610 2.0610 2.1081 2.1081 2.2240 2.2240 2.4907 2.4907 4.2229 4.2229 7.1872 7.1872 7.2079 7.2079 9.3990 9.3990 9.7378 9.7378 9.8054 9.8054 11.8975 11.8975 12.3566 12.3566 k = 0.5000 0.2074 0.0192 ( 2436 PWs) bands (ev): 1.7060 1.7060 1.7095 1.7095 2.0608 2.0608 2.1084 2.1084 2.2245 2.2245 2.4878 2.4878 4.2158 4.2158 7.1841 7.1841 7.2046 7.2046 9.3961 9.3961 9.7394 9.7394 9.8055 9.8055 11.9103 11.9103 12.3795 12.3795 k = 0.5000 0.2074-0.0000 ( 2424 PWs) bands (ev): 1.7061 1.7061 1.7094 1.7094 2.0608 2.0608 2.1085 2.1085 2.2247 2.2247 2.4868 2.4868 4.2134 4.2134 7.1831 7.1831 7.2035 7.2035 9.3952 9.3952 9.7397 9.7397 9.8057 9.8057 11.9144 11.9144 12.3873 12.3873 k = 0.0000 0.0000 1.3049 ( 2466 PWs) bands (ev): 1.6981 1.6981 1.7436 1.7436 2.0011 2.0011 2.1478 2.1478 2.3232 2.3232 5.5132 5.5132 6.4467 6.4467 6.6357 6.6357 7.4480 7.4480 8.0470 8.0470 9.8191 9.8191 10.0101 10.0101 11.5615 11.5615 12.6557 12.6557 k = 0.0179 0.0074 1.3049 ( 2476 PWs) bands (ev): 1.6981 1.6981 1.7435 1.7435 2.0010 2.0010 2.1478 2.1478 2.3232 2.3232 5.5136 5.5136 6.4456 6.4456 6.6371 6.6371 7.4401 7.4401 8.0571 8.0571 9.8239 9.8239 10.0007 10.0007 11.5718 11.5718 12.6168 12.6169 k = 0.0357 0.0148 1.3049 ( 2480 PWs) bands (ev): 1.6982 1.6982 1.7434 1.7434 2.0009 2.0009 2.1477 2.1477 2.3232 2.3232 5.5148 5.5148 6.4423 6.4423 6.6413 6.6413 7.4178 7.4178 8.0858 8.0858 9.8384 9.8384 9.9731 9.9731 11.6021 11.6021 12.5250 12.5250 k = 0.0536 0.0222 1.3049 ( 2488 PWs) bands (ev): 1.6982 1.6982 1.7433 1.7433 2.0009 2.0009 2.1476 2.1476 2.3230 2.3230 5.5167 5.5167 6.4369 6.4369 6.6481 6.6481 7.3846 7.3846 8.1298 8.1298 9.8620 9.8620 9.9295 9.9295 11.6502 11.6502 12.4105 12.4105 k = 0.0714 0.0296 1.3049 ( 2478 PWs) bands (ev): 1.6985 1.6985 1.7432 1.7432 2.0010 2.0010 2.1477 2.1477 2.3231 2.3231 5.5193 5.5193 6.4298 6.4298 6.6578 6.6578 7.3441 7.3441 8.1853 8.1853 9.8710 9.8710 9.8960 9.8960 11.7134 11.7134 12.2868 12.2868 k = 0.0893 0.0370 1.3049 ( 2482 PWs) bands (ev): 1.6987 1.6987 1.7431 1.7431 2.0010 2.0010 2.1475 2.1475 2.3231 2.3231 5.5224 5.5224 6.4213 6.4213 6.6701 6.6701 7.2994 7.2994 8.2493 8.2493 9.8038 9.8038 9.9363 9.9363 11.7890 11.7890 12.1597 12.1597 k = 0.1071 0.0444 1.3049 ( 2490 PWs) bands (ev): 1.6989 1.6989 1.7429 1.7429 2.0010 2.0010 2.1473 2.1473 2.3230 2.3230 5.5260 5.5260 6.4118 6.4118 6.6852 6.6852 7.2524 7.2524 8.3197 8.3197 9.7278 9.7278 9.9847 9.9847 11.8740 11.8740 12.0326 12.0326 k = 0.1250 0.0519 1.3049 ( 2486 PWs) bands (ev): 1.6992 1.6992 1.7427 1.7427 2.0011 2.0011 2.1472 2.1472 2.3230 2.3230 5.5298 5.5298 6.4018 6.4018 6.7030 6.7030 7.2046 7.2046 8.3951 8.3951 9.6457 9.6457 10.0394 10.0394 11.9053 11.9053 11.9686 11.9686 k = 0.1429 0.0593 1.3049 ( 2486 PWs) bands (ev): 1.6994 1.6994 1.7426 1.7426 2.0012 2.0012 2.1472 2.1472 2.3230 2.3230 5.5337 5.5337 6.3918 6.3918 6.7234 6.7234 7.1570 7.1570 8.4745 8.4745 9.5592 9.5592 10.0990 10.0990 11.7849 11.7849 12.0661 12.0661 k = 0.1607 0.0667 1.3049 ( 2480 PWs) bands (ev): 1.6997 1.6997 1.7425 1.7425 2.0013 2.0013 2.1471 2.1471 2.3230 2.3230 5.5374 5.5374 6.3822 6.3822 6.7465 6.7465 7.1102 7.1102 8.5570 8.5570 9.4696 9.4696 10.1614 10.1614 11.6701 11.6701 12.1686 12.1686 k = 0.1786 0.0741 1.3049 ( 2480 PWs) bands (ev): 1.6999 1.6999 1.7423 1.7423 2.0013 2.0013 2.1471 2.1471 2.3230 2.3230 5.5409 5.5409 6.3737 6.3737 6.7721 6.7721 7.0646 7.0646 8.6421 8.6421 9.3782 9.3782 10.2240 10.2240 11.5644 11.5644 12.2739 12.2739 k = 0.1964 0.0815 1.3049 ( 2480 PWs) bands (ev): 1.7001 1.7001 1.7422 1.7422 2.0014 2.0014 2.1471 2.1471 2.3230 2.3230 5.5437 5.5437 6.3665 6.3665 6.8003 6.8003 7.0208 7.0208 8.7292 8.7292 9.2857 9.2857 10.2828 10.2828 11.4721 11.4721 12.3808 12.3808 k = 0.2143 0.0889 1.3049 ( 2480 PWs) bands (ev): 1.7002 1.7002 1.7421 1.7421 2.0014 2.0014 2.1470 2.1470 2.3230 2.3230 5.5460 5.5460 6.3611 6.3611 6.8309 6.8309 6.9788 6.9788 8.8178 8.8178 9.1931 9.1931 10.3325 10.3325 11.3984 11.3984 12.4876 12.4876 k = 0.2321 0.0963 1.3049 ( 2480 PWs) bands (ev): 1.7003 1.7003 1.7421 1.7421 2.0014 2.0014 2.1470 2.1470 2.3230 2.3230 5.5473 5.5473 6.3577 6.3577 6.8636 6.8636 6.9393 6.9393 8.9062 8.9062 9.1023 9.1023 10.3665 10.3665 11.3500 11.3500 12.5898 12.5898 k = 0.2500 0.1037 1.3049 ( 2484 PWs) bands (ev): 1.7003 1.7003 1.7420 1.7420 2.0014 2.0014 2.1470 2.1470 2.3229 2.3229 5.5478 5.5478 6.3566 6.3566 6.8910 6.8910 6.9096 6.9096 8.9719 8.9719 9.0358 9.0358 10.3787 10.3787 11.3330 11.3330 12.6539 12.6539 Writing output data file Zr2Zn.save init_run : 0.43s CPU 0.56s WALL ( 1 calls) electrons : 126.63s CPU 128.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 126.62s CPU 128.80s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 408 calls) cegterg : 110.77s CPU 112.01s WALL ( 585 calls) Called by sum_band: Called by *egterg: h_psi : 89.28s CPU 90.31s WALL ( 9286 calls) s_psi : 0.97s CPU 0.95s WALL ( 9286 calls) g_psi : 0.09s CPU 0.10s WALL ( 8293 calls) cdiaghg : 29.17s CPU 29.61s WALL ( 8701 calls) cegterg:over : 2.06s CPU 2.09s WALL ( 8293 calls) cegterg:upda : 1.55s CPU 1.60s WALL ( 8293 calls) cegterg:last : 0.79s CPU 0.79s WALL ( 1522 calls) cdiaghg:chol : 1.60s CPU 1.50s WALL ( 8701 calls) cdiaghg:inve : 0.57s CPU 0.63s WALL ( 8701 calls) cdiaghg:para : 1.81s CPU 1.81s WALL ( 17402 calls) Called by h_psi: h_psi:vloc : 86.29s CPU 87.34s WALL ( 9286 calls) h_psi:vnl : 2.95s CPU 2.92s WALL ( 9286 calls) add_vuspsi : 1.53s CPU 1.48s WALL ( 9286 calls) General routines calbec : 1.40s CPU 1.42s WALL ( 9286 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 81.05s CPU 82.03s WALL ( 586348 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.26s WALL ( 816 calls) Parallel routines fft_scatter : 21.47s CPU 21.80s WALL ( 586371 calls) PWSCF : 2m16.51s CPU 2m47.86s WALL This run was terminated on: 21:25:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=