Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 7: 2 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: ./SrxZnGex2.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 71 46 13 1470 767 123 Max 72 47 14 1473 786 125 Sum 2571 1671 499 52953 27883 4487 bravais-lattice index = 14 lattice parameter (alat) = 11.6017 a.u. unit-cell volume = 683.6672 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.601667 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.746668 celldm(5)= -0.746668 celldm(6)= 0.493336 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.493336 0.869839 0.000000 ) a(3) = ( -0.746668 -0.434919 0.503321 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.567158 0.993402 ) b(2) = ( 0.000000 1.149639 0.993402 ) b(3) = ( 0.000000 0.000000 1.986804 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Ge 4.00 72.64000 Ge( 1.00) Zn 12.00 65.40900 Zn( 1.00) Sr 10.00 87.62000 Sr( 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= 333 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0000000 0.0000000 0.0194785), wk = 0.0030030 k( 3) = ( 0.0000000 0.0000000 0.0389569), wk = 0.0030030 k( 4) = ( 0.0000000 0.0000000 0.0584354), wk = 0.0030030 k( 5) = ( 0.0000000 0.0000000 0.0779139), wk = 0.0030030 k( 6) = ( 0.0000000 0.0000000 0.0973924), wk = 0.0030030 k( 7) = ( 0.0000000 0.0000000 0.1168709), wk = 0.0030030 k( 8) = ( 0.0000000 0.0000000 0.1363493), wk = 0.0030030 k( 9) = ( 0.0000000 0.0000000 0.1558278), wk = 0.0030030 k( 10) = ( 0.0000000 0.0000000 0.1753063), wk = 0.0030030 k( 11) = ( 0.0000000 0.0000000 0.1947848), wk = 0.0030030 k( 12) = ( 0.0000000 0.0000000 0.2142632), wk = 0.0030030 k( 13) = ( 0.0000000 0.0000000 0.2337417), wk = 0.0030030 k( 14) = ( 0.0000000 0.0000000 0.2532202), wk = 0.0030030 k( 15) = ( 0.0000000 0.0000000 0.2726986), wk = 0.0030030 k( 16) = ( 0.0000000 0.0000000 0.2921771), wk = 0.0030030 k( 17) = ( 0.0000000 0.0000000 0.3116556), wk = 0.0030030 k( 18) = ( 0.0000000 0.0000000 0.3311341), wk = 0.0030030 k( 19) = ( 0.0000000 0.0000000 0.3506126), wk = 0.0030030 k( 20) = ( 0.0000000 0.0000000 0.3700910), wk = 0.0030030 k( 21) = ( 0.0000000 0.0000000 0.3895695), wk = 0.0030030 k( 22) = ( 0.0000000 0.0000000 0.4090480), wk = 0.0030030 k( 23) = ( 0.0000000 0.0000000 0.4285264), wk = 0.0030030 k( 24) = ( 0.0000000 0.0000000 0.4480049), wk = 0.0030030 k( 25) = ( 0.0000000 0.0000000 0.4674834), wk = 0.0030030 k( 26) = ( 0.0000000 0.0000000 0.4869619), wk = 0.0030030 k( 27) = ( 0.0000000 0.0000000 0.5064404), wk = 0.0030030 k( 28) = ( 0.0000000 0.0000000 0.5259188), wk = 0.0030030 k( 29) = ( 0.0000000 0.0000000 0.5453973), wk = 0.0030030 k( 30) = ( 0.0000000 0.0000000 0.5648758), wk = 0.0030030 k( 31) = ( 0.0000000 0.0000000 0.5843543), wk = 0.0030030 k( 32) = ( 0.0000000 0.0000000 0.6038327), wk = 0.0030030 k( 33) = ( 0.0000000 0.0000000 0.6233112), wk = 0.0030030 k( 34) = ( 0.0000000 0.0000000 0.6427897), wk = 0.0030030 k( 35) = ( 0.0000000 0.0000000 0.6622681), wk = 0.0030030 k( 36) = ( 0.0000000 0.0000000 0.6817466), wk = 0.0030030 k( 37) = ( 0.0000000 0.0000000 0.7012251), wk = 0.0030030 k( 38) = ( 0.0000000 0.0000000 0.7207036), wk = 0.0030030 k( 39) = ( 0.0000000 0.0000000 0.7401821), wk = 0.0030030 k( 40) = ( 0.0000000 0.0000000 0.7596605), wk = 0.0030030 k( 41) = ( 0.0000000 0.0000000 0.7791390), wk = 0.0030030 k( 42) = ( 0.0000000 0.0000000 0.7986175), wk = 0.0030030 k( 43) = ( 0.0000000 0.0000000 0.8180960), wk = 0.0030030 k( 44) = ( 0.0000000 0.0000000 0.8375744), wk = 0.0030030 k( 45) = ( 0.0000000 0.0000000 0.8570529), wk = 0.0030030 k( 46) = ( 0.0000000 0.0000000 0.8765314), wk = 0.0030030 k( 47) = ( 0.0000000 0.0000000 0.8960099), wk = 0.0030030 k( 48) = ( 0.0000000 0.0000000 0.9154883), wk = 0.0030030 k( 49) = ( 0.0000000 0.0000000 0.9349668), wk = 0.0030030 k( 50) = ( 0.0000000 0.0000000 0.9544453), wk = 0.0030030 k( 51) = ( 0.0000000 0.0000000 0.9739238), wk = 0.0030030 k( 52) = ( 0.0000000 0.0000000 0.9934022), wk = 0.0030030 k( 53) = ( 0.0000000 0.0000000 0.9934022), wk = 0.0030030 k( 54) = ( -0.0094245 0.0161800 0.9934022), wk = 0.0030030 k( 55) = ( -0.0188491 0.0323600 0.9934022), wk = 0.0030030 k( 56) = ( -0.0282736 0.0485400 0.9934022), wk = 0.0030030 k( 57) = ( -0.0376981 0.0647200 0.9934022), wk = 0.0030030 k( 58) = ( -0.0471226 0.0809000 0.9934022), wk = 0.0030030 k( 59) = ( -0.0565472 0.0970800 0.9934022), wk = 0.0030030 k( 60) = ( -0.0659717 0.1132600 0.9934022), wk = 0.0030030 k( 61) = ( -0.0753962 0.1294400 0.9934022), wk = 0.0030030 k( 62) = ( -0.0848208 0.1456200 0.9934022), wk = 0.0030030 k( 63) = ( -0.0848208 0.1456200 0.9934022), wk = 0.0030030 k( 64) = ( -0.0917404 0.1574996 0.9796542), wk = 0.0030030 k( 65) = ( -0.0986601 0.1693793 0.9659062), wk = 0.0030030 k( 66) = ( -0.1055797 0.1812589 0.9521582), wk = 0.0030030 k( 67) = ( -0.1124994 0.1931386 0.9384102), wk = 0.0030030 k( 68) = ( -0.1194190 0.2050182 0.9246622), wk = 0.0030030 k( 69) = ( -0.1263387 0.2168979 0.9109142), wk = 0.0030030 k( 70) = ( -0.1332583 0.2287775 0.8971662), wk = 0.0030030 k( 71) = ( -0.1401780 0.2406571 0.8834182), wk = 0.0030030 k( 72) = ( -0.1470976 0.2525368 0.8696702), wk = 0.0030030 k( 73) = ( -0.1540173 0.2644164 0.8559222), wk = 0.0030030 k( 74) = ( -0.1609369 0.2762961 0.8421742), wk = 0.0030030 k( 75) = ( -0.1678566 0.2881757 0.8284262), wk = 0.0030030 k( 76) = ( -0.1747762 0.3000553 0.8146782), wk = 0.0030030 k( 77) = ( -0.1816959 0.3119350 0.8009302), wk = 0.0030030 k( 78) = ( -0.1886156 0.3238146 0.7871822), wk = 0.0030030 k( 79) = ( -0.1955352 0.3356943 0.7734342), wk = 0.0030030 k( 80) = ( -0.2024549 0.3475739 0.7596862), wk = 0.0030030 k( 81) = ( -0.2093745 0.3594536 0.7459382), wk = 0.0030030 k( 82) = ( -0.2162942 0.3713332 0.7321902), wk = 0.0030030 k( 83) = ( -0.2232138 0.3832128 0.7184422), wk = 0.0030030 k( 84) = ( -0.2301335 0.3950925 0.7046942), wk = 0.0030030 k( 85) = ( -0.2370531 0.4069721 0.6909462), wk = 0.0030030 k( 86) = ( -0.2439728 0.4188518 0.6771982), wk = 0.0030030 k( 87) = ( -0.2508924 0.4307314 0.6634502), wk = 0.0030030 k( 88) = ( -0.2578121 0.4426110 0.6497022), wk = 0.0030030 k( 89) = ( -0.2647318 0.4544907 0.6359542), wk = 0.0030030 k( 90) = ( -0.2716514 0.4663703 0.6222062), wk = 0.0030030 k( 91) = ( -0.2785711 0.4782500 0.6084582), wk = 0.0030030 k( 92) = ( -0.2854907 0.4901296 0.5947102), wk = 0.0030030 k( 93) = ( -0.2924104 0.5020093 0.5809622), wk = 0.0030030 k( 94) = ( -0.2924104 0.5020093 0.5809622), wk = 0.0030030 k( 95) = ( -0.2856101 0.4903346 0.5674515), wk = 0.0030030 k( 96) = ( -0.2788099 0.4786600 0.5539407), wk = 0.0030030 k( 97) = ( -0.2720096 0.4669854 0.5404300), wk = 0.0030030 k( 98) = ( -0.2652094 0.4553107 0.5269192), wk = 0.0030030 k( 99) = ( -0.2584092 0.4436361 0.5134085), wk = 0.0030030 k( 100) = ( -0.2516089 0.4319615 0.4998977), wk = 0.0030030 k( 101) = ( -0.2448087 0.4202868 0.4863870), wk = 0.0030030 k( 102) = ( -0.2380084 0.4086122 0.4728762), wk = 0.0030030 k( 103) = ( -0.2312082 0.3969375 0.4593655), wk = 0.0030030 k( 104) = ( -0.2244080 0.3852629 0.4458547), wk = 0.0030030 k( 105) = ( -0.2176077 0.3735883 0.4323440), wk = 0.0030030 k( 106) = ( -0.2108075 0.3619137 0.4188332), wk = 0.0030030 k( 107) = ( -0.2040072 0.3502390 0.4053225), wk = 0.0030030 k( 108) = ( -0.1972070 0.3385644 0.3918117), wk = 0.0030030 k( 109) = ( -0.1904068 0.3268898 0.3783010), wk = 0.0030030 k( 110) = ( -0.1836065 0.3152151 0.3647902), wk = 0.0030030 k( 111) = ( -0.1768063 0.3035405 0.3512795), wk = 0.0030030 k( 112) = ( -0.1700060 0.2918658 0.3377687), wk = 0.0030030 k( 113) = ( -0.1632058 0.2801912 0.3242580), wk = 0.0030030 k( 114) = ( -0.1564056 0.2685166 0.3107472), wk = 0.0030030 k( 115) = ( -0.1496053 0.2568419 0.2972365), wk = 0.0030030 k( 116) = ( -0.1428051 0.2451673 0.2837258), wk = 0.0030030 k( 117) = ( -0.1360048 0.2334927 0.2702150), wk = 0.0030030 k( 118) = ( -0.1292046 0.2218180 0.2567042), wk = 0.0030030 k( 119) = ( -0.1224043 0.2101434 0.2431935), wk = 0.0030030 k( 120) = ( -0.1156041 0.1984688 0.2296827), wk = 0.0030030 k( 121) = ( -0.1088039 0.1867941 0.2161720), wk = 0.0030030 k( 122) = ( -0.1020036 0.1751195 0.2026612), wk = 0.0030030 k( 123) = ( -0.0952034 0.1634449 0.1891505), wk = 0.0030030 k( 124) = ( -0.0884031 0.1517702 0.1756398), wk = 0.0030030 k( 125) = ( -0.0816029 0.1400956 0.1621290), wk = 0.0030030 k( 126) = ( -0.0748026 0.1284210 0.1486182), wk = 0.0030030 k( 127) = ( -0.0680024 0.1167463 0.1351075), wk = 0.0030030 k( 128) = ( -0.0612022 0.1050717 0.1215967), wk = 0.0030030 k( 129) = ( -0.0544019 0.0933971 0.1080860), wk = 0.0030030 k( 130) = ( -0.0476017 0.0817224 0.0945753), wk = 0.0030030 k( 131) = ( -0.0408015 0.0700478 0.0810645), wk = 0.0030030 k( 132) = ( -0.0340012 0.0583732 0.0675538), wk = 0.0030030 k( 133) = ( -0.0272010 0.0466985 0.0540430), wk = 0.0030030 k( 134) = ( -0.0204007 0.0350239 0.0405322), wk = 0.0030030 k( 135) = ( -0.0136005 0.0233493 0.0270215), wk = 0.0030030 k( 136) = ( -0.0068002 0.0116746 0.0135107), wk = 0.0030030 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 139) = ( 0.0166667 0.0097080 -0.0000000), wk = 0.0030030 k( 140) = ( 0.0333333 0.0194160 -0.0000000), wk = 0.0030030 k( 141) = ( 0.0500000 0.0291240 -0.0000000), wk = 0.0030030 k( 142) = ( 0.0666667 0.0388320 -0.0000000), wk = 0.0030030 k( 143) = ( 0.0833333 0.0485400 -0.0000000), wk = 0.0030030 k( 144) = ( 0.1000000 0.0582480 -0.0000000), wk = 0.0030030 k( 145) = ( 0.1166667 0.0679560 -0.0000000), wk = 0.0030030 k( 146) = ( 0.1333333 0.0776640 -0.0000000), wk = 0.0030030 k( 147) = ( 0.1500000 0.0873720 -0.0000000), wk = 0.0030030 k( 148) = ( 0.1666667 0.0970800 -0.0000000), wk = 0.0030030 k( 149) = ( 0.1833333 0.1067880 -0.0000000), wk = 0.0030030 k( 150) = ( 0.2000000 0.1164960 -0.0000000), wk = 0.0030030 k( 151) = ( 0.2166667 0.1262040 -0.0000000), wk = 0.0030030 k( 152) = ( 0.2333333 0.1359120 -0.0000000), wk = 0.0030030 k( 153) = ( 0.2500000 0.1456200 -0.0000000), wk = 0.0030030 k( 154) = ( 0.2666667 0.1553280 -0.0000000), wk = 0.0030030 k( 155) = ( 0.2833333 0.1650360 -0.0000000), wk = 0.0030030 k( 156) = ( 0.3000000 0.1747440 -0.0000000), wk = 0.0030030 k( 157) = ( 0.3166667 0.1844520 -0.0000000), wk = 0.0030030 k( 158) = ( 0.3333333 0.1941600 -0.0000000), wk = 0.0030030 k( 159) = ( 0.3500000 0.2038680 -0.0000000), wk = 0.0030030 k( 160) = ( 0.3666667 0.2135760 -0.0000000), wk = 0.0030030 k( 161) = ( 0.3833333 0.2232840 -0.0000000), wk = 0.0030030 k( 162) = ( 0.4000000 0.2329920 -0.0000000), wk = 0.0030030 k( 163) = ( 0.4166667 0.2427000 -0.0000000), wk = 0.0030030 k( 164) = ( 0.4333333 0.2524080 -0.0000000), wk = 0.0030030 k( 165) = ( 0.4500000 0.2621160 -0.0000000), wk = 0.0030030 k( 166) = ( 0.4666667 0.2718240 -0.0000000), wk = 0.0030030 k( 167) = ( 0.4833333 0.2815320 -0.0000000), wk = 0.0030030 k( 168) = ( 0.5000000 0.2912400 -0.0000000), wk = 0.0030030 k( 169) = ( 0.5000000 0.2912400 -0.0000000), wk = 0.0030030 k( 170) = ( 0.4930804 0.3031197 0.0137480), wk = 0.0030030 k( 171) = ( 0.4861607 0.3149993 0.0274960), wk = 0.0030030 k( 172) = ( 0.4792410 0.3268789 0.0412440), wk = 0.0030030 k( 173) = ( 0.4723214 0.3387586 0.0549920), wk = 0.0030030 k( 174) = ( 0.4654017 0.3506382 0.0687400), wk = 0.0030030 k( 175) = ( 0.4584821 0.3625179 0.0824880), wk = 0.0030030 k( 176) = ( 0.4515624 0.3743975 0.0962360), wk = 0.0030030 k( 177) = ( 0.4446428 0.3862771 0.1099840), wk = 0.0030030 k( 178) = ( 0.4377231 0.3981568 0.1237320), wk = 0.0030030 k( 179) = ( 0.4308035 0.4100364 0.1374800), wk = 0.0030030 k( 180) = ( 0.4238838 0.4219161 0.1512280), wk = 0.0030030 k( 181) = ( 0.4169641 0.4337957 0.1649760), wk = 0.0030030 k( 182) = ( 0.4100445 0.4456754 0.1787240), wk = 0.0030030 k( 183) = ( 0.4031248 0.4575550 0.1924720), wk = 0.0030030 k( 184) = ( 0.3962052 0.4694346 0.2062200), wk = 0.0030030 k( 185) = ( 0.3892855 0.4813143 0.2199680), wk = 0.0030030 k( 186) = ( 0.3823659 0.4931939 0.2337160), wk = 0.0030030 k( 187) = ( 0.3754462 0.5050736 0.2474640), wk = 0.0030030 k( 188) = ( 0.3685266 0.5169532 0.2612120), wk = 0.0030030 k( 189) = ( 0.3616069 0.5288328 0.2749600), wk = 0.0030030 k( 190) = ( 0.3546873 0.5407125 0.2887080), wk = 0.0030030 k( 191) = ( 0.3477676 0.5525921 0.3024560), wk = 0.0030030 k( 192) = ( 0.3408480 0.5644718 0.3162040), wk = 0.0030030 k( 193) = ( 0.3339283 0.5763514 0.3299520), wk = 0.0030030 k( 194) = ( 0.3270087 0.5882311 0.3437000), wk = 0.0030030 k( 195) = ( 0.3200890 0.6001107 0.3574480), wk = 0.0030030 k( 196) = ( 0.3131693 0.6119903 0.3711960), wk = 0.0030030 k( 197) = ( 0.3062497 0.6238700 0.3849440), wk = 0.0030030 k( 198) = ( 0.2993300 0.6357496 0.3986920), wk = 0.0030030 k( 199) = ( 0.2924104 0.6476293 0.4124400), wk = 0.0030030 k( 200) = ( 0.2924104 0.6476293 0.4124400), wk = 0.0030030 k( 201) = ( 0.2752098 0.6433463 0.4173965), wk = 0.0030030 k( 202) = ( 0.2580092 0.6390634 0.4223531), wk = 0.0030030 k( 203) = ( 0.2408085 0.6347804 0.4273096), wk = 0.0030030 k( 204) = ( 0.2236079 0.6304975 0.4322661), wk = 0.0030030 k( 205) = ( 0.2064073 0.6262146 0.4372227), wk = 0.0030030 k( 206) = ( 0.1892067 0.6219316 0.4421792), wk = 0.0030030 k( 207) = ( 0.1720061 0.6176487 0.4471357), wk = 0.0030030 k( 208) = ( 0.1548055 0.6133657 0.4520923), wk = 0.0030030 k( 209) = ( 0.1376049 0.6090828 0.4570488), wk = 0.0030030 k( 210) = ( 0.1204043 0.6047999 0.4620054), wk = 0.0030030 k( 211) = ( 0.1032037 0.6005169 0.4669619), wk = 0.0030030 k( 212) = ( 0.0860030 0.5962340 0.4719184), wk = 0.0030030 k( 213) = ( 0.0688024 0.5919510 0.4768750), wk = 0.0030030 k( 214) = ( 0.0516018 0.5876681 0.4818315), wk = 0.0030030 k( 215) = ( 0.0344012 0.5833851 0.4867880), wk = 0.0030030 k( 216) = ( 0.0172006 0.5791022 0.4917446), wk = 0.0030030 k( 217) = ( 0.0000000 0.5748193 0.4967011), wk = 0.0030030 k( 218) = ( 0.0000000 0.5748193 0.4967011), wk = 0.0030030 k( 219) = ( 0.0069444 0.5628971 0.5104984), wk = 0.0030030 k( 220) = ( 0.0138889 0.5509749 0.5242956), wk = 0.0030030 k( 221) = ( 0.0208333 0.5390527 0.5380929), wk = 0.0030030 k( 222) = ( 0.0277778 0.5271305 0.5518901), wk = 0.0030030 k( 223) = ( 0.0347222 0.5152083 0.5656874), wk = 0.0030030 k( 224) = ( 0.0416667 0.5032860 0.5794846), wk = 0.0030030 k( 225) = ( 0.0486111 0.4913639 0.5932819), wk = 0.0030030 k( 226) = ( 0.0555556 0.4794416 0.6070792), wk = 0.0030030 k( 227) = ( 0.0625000 0.4675195 0.6208764), wk = 0.0030030 k( 228) = ( 0.0694444 0.4555973 0.6346736), wk = 0.0030030 k( 229) = ( 0.0763889 0.4436750 0.6484709), wk = 0.0030030 k( 230) = ( 0.0833333 0.4317529 0.6622681), wk = 0.0030030 k( 231) = ( 0.0902778 0.4198306 0.6760654), wk = 0.0030030 k( 232) = ( 0.0972222 0.4079084 0.6898627), wk = 0.0030030 k( 233) = ( 0.1041667 0.3959862 0.7036599), wk = 0.0030030 k( 234) = ( 0.1111111 0.3840640 0.7174572), wk = 0.0030030 k( 235) = ( 0.1180556 0.3721418 0.7312544), wk = 0.0030030 k( 236) = ( 0.1250000 0.3602196 0.7450517), wk = 0.0030030 k( 237) = ( 0.1319444 0.3482974 0.7588489), wk = 0.0030030 k( 238) = ( 0.1388889 0.3363752 0.7726462), wk = 0.0030030 k( 239) = ( 0.1458333 0.3244530 0.7864434), wk = 0.0030030 k( 240) = ( 0.1527778 0.3125308 0.8002407), wk = 0.0030030 k( 241) = ( 0.1597222 0.3006086 0.8140379), wk = 0.0030030 k( 242) = ( 0.1666667 0.2886864 0.8278352), wk = 0.0030030 k( 243) = ( 0.1736111 0.2767642 0.8416324), wk = 0.0030030 k( 244) = ( 0.1805556 0.2648420 0.8554297), wk = 0.0030030 k( 245) = ( 0.1875000 0.2529198 0.8692270), wk = 0.0030030 k( 246) = ( 0.1944444 0.2409976 0.8830242), wk = 0.0030030 k( 247) = ( 0.2013889 0.2290754 0.8968215), wk = 0.0030030 k( 248) = ( 0.2083333 0.2171532 0.9106187), wk = 0.0030030 k( 249) = ( 0.2152778 0.2052310 0.9244160), wk = 0.0030030 k( 250) = ( 0.2222222 0.1933088 0.9382132), wk = 0.0030030 k( 251) = ( 0.2291667 0.1813866 0.9520105), wk = 0.0030030 k( 252) = ( 0.2361111 0.1694644 0.9658077), wk = 0.0030030 k( 253) = ( 0.2430556 0.1575422 0.9796050), wk = 0.0030030 k( 254) = ( 0.2500000 0.1456200 0.9934022), wk = 0.0030030 k( 255) = ( 0.2500000 0.1456200 0.9934022), wk = 0.0030030 k( 256) = ( 0.2638889 0.1537100 0.9840399), wk = 0.0030030 k( 257) = ( 0.2777778 0.1618000 0.9746775), wk = 0.0030030 k( 258) = ( 0.2916667 0.1698900 0.9653152), wk = 0.0030030 k( 259) = ( 0.3055556 0.1779800 0.9559529), wk = 0.0030030 k( 260) = ( 0.3194444 0.1860700 0.9465905), wk = 0.0030030 k( 261) = ( 0.3333333 0.1941600 0.9372281), wk = 0.0030030 k( 262) = ( 0.3472222 0.2022500 0.9278658), wk = 0.0030030 k( 263) = ( 0.3611111 0.2103400 0.9185035), wk = 0.0030030 k( 264) = ( 0.3750000 0.2184300 0.9091411), wk = 0.0030030 k( 265) = ( 0.3888889 0.2265200 0.8997788), wk = 0.0030030 k( 266) = ( 0.4027778 0.2346100 0.8904164), wk = 0.0030030 k( 267) = ( 0.4166667 0.2427000 0.8810541), wk = 0.0030030 k( 268) = ( 0.4305556 0.2507900 0.8716917), wk = 0.0030030 k( 269) = ( 0.4444444 0.2588800 0.8623294), wk = 0.0030030 k( 270) = ( 0.4583333 0.2669700 0.8529670), wk = 0.0030030 k( 271) = ( 0.4722222 0.2750600 0.8436047), wk = 0.0030030 k( 272) = ( 0.4861111 0.2831500 0.8342423), wk = 0.0030030 k( 273) = ( 0.5000000 0.2912400 0.8248800), wk = 0.0030030 k( 274) = ( 0.5000000 0.2912400 0.8248800), wk = 0.0030030 k( 275) = ( 0.5000000 0.2912400 0.8056967), wk = 0.0030030 k( 276) = ( 0.5000000 0.2912400 0.7865135), wk = 0.0030030 k( 277) = ( 0.5000000 0.2912400 0.7673302), wk = 0.0030030 k( 278) = ( 0.5000000 0.2912400 0.7481470), wk = 0.0030030 k( 279) = ( 0.5000000 0.2912400 0.7289637), wk = 0.0030030 k( 280) = ( 0.5000000 0.2912400 0.7097805), wk = 0.0030030 k( 281) = ( 0.5000000 0.2912400 0.6905972), wk = 0.0030030 k( 282) = ( 0.5000000 0.2912400 0.6714139), wk = 0.0030030 k( 283) = ( 0.5000000 0.2912400 0.6522307), wk = 0.0030030 k( 284) = ( 0.5000000 0.2912400 0.6330474), wk = 0.0030030 k( 285) = ( 0.5000000 0.2912400 0.6138642), wk = 0.0030030 k( 286) = ( 0.5000000 0.2912400 0.5946809), wk = 0.0030030 k( 287) = ( 0.5000000 0.2912400 0.5754977), wk = 0.0030030 k( 288) = ( 0.5000000 0.2912400 0.5563144), wk = 0.0030030 k( 289) = ( 0.5000000 0.2912400 0.5371312), wk = 0.0030030 k( 290) = ( 0.5000000 0.2912400 0.5179479), wk = 0.0030030 k( 291) = ( 0.5000000 0.2912400 0.4987647), wk = 0.0030030 k( 292) = ( 0.5000000 0.2912400 0.4795814), wk = 0.0030030 k( 293) = ( 0.5000000 0.2912400 0.4603981), wk = 0.0030030 k( 294) = ( 0.5000000 0.2912400 0.4412149), wk = 0.0030030 k( 295) = ( 0.5000000 0.2912400 0.4220316), wk = 0.0030030 k( 296) = ( 0.5000000 0.2912400 0.4028484), wk = 0.0030030 k( 297) = ( 0.5000000 0.2912400 0.3836651), wk = 0.0030030 k( 298) = ( 0.5000000 0.2912400 0.3644819), wk = 0.0030030 k( 299) = ( 0.5000000 0.2912400 0.3452986), wk = 0.0030030 k( 300) = ( 0.5000000 0.2912400 0.3261153), wk = 0.0030030 k( 301) = ( 0.5000000 0.2912400 0.3069321), wk = 0.0030030 k( 302) = ( 0.5000000 0.2912400 0.2877488), wk = 0.0030030 k( 303) = ( 0.5000000 0.2912400 0.2685656), wk = 0.0030030 k( 304) = ( 0.5000000 0.2912400 0.2493823), wk = 0.0030030 k( 305) = ( 0.5000000 0.2912400 0.2301991), wk = 0.0030030 k( 306) = ( 0.5000000 0.2912400 0.2110158), wk = 0.0030030 k( 307) = ( 0.5000000 0.2912400 0.1918325), wk = 0.0030030 k( 308) = ( 0.5000000 0.2912400 0.1726493), wk = 0.0030030 k( 309) = ( 0.5000000 0.2912400 0.1534660), wk = 0.0030030 k( 310) = ( 0.5000000 0.2912400 0.1342828), wk = 0.0030030 k( 311) = ( 0.5000000 0.2912400 0.1150995), wk = 0.0030030 k( 312) = ( 0.5000000 0.2912400 0.0959163), wk = 0.0030030 k( 313) = ( 0.5000000 0.2912400 0.0767330), wk = 0.0030030 k( 314) = ( 0.5000000 0.2912400 0.0575498), wk = 0.0030030 k( 315) = ( 0.5000000 0.2912400 0.0383665), wk = 0.0030030 k( 316) = ( 0.5000000 0.2912400 0.0191833), wk = 0.0030030 k( 317) = ( 0.5000000 0.2912400 -0.0000000), wk = 0.0030030 k( 318) = ( 0.0000000 0.0000000 0.9934022), wk = 0.0030030 k( 319) = ( 0.0166667 0.0097080 0.9934022), wk = 0.0030030 k( 320) = ( 0.0333333 0.0194160 0.9934022), wk = 0.0030030 k( 321) = ( 0.0500000 0.0291240 0.9934022), wk = 0.0030030 k( 322) = ( 0.0666667 0.0388320 0.9934022), wk = 0.0030030 k( 323) = ( 0.0833333 0.0485400 0.9934022), wk = 0.0030030 k( 324) = ( 0.1000000 0.0582480 0.9934022), wk = 0.0030030 k( 325) = ( 0.1166667 0.0679560 0.9934022), wk = 0.0030030 k( 326) = ( 0.1333333 0.0776640 0.9934022), wk = 0.0030030 k( 327) = ( 0.1500000 0.0873720 0.9934022), wk = 0.0030030 k( 328) = ( 0.1666667 0.0970800 0.9934022), wk = 0.0030030 k( 329) = ( 0.1833333 0.1067880 0.9934022), wk = 0.0030030 k( 330) = ( 0.2000000 0.1164960 0.9934022), wk = 0.0030030 k( 331) = ( 0.2166667 0.1262040 0.9934022), wk = 0.0030030 k( 332) = ( 0.2333333 0.1359120 0.9934022), wk = 0.0030030 k( 333) = ( 0.2500000 0.1456200 0.9934022), wk = 0.0030030 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0030030 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0030030 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0030030 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0030030 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0030030 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0030030 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0030030 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0030030 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0030030 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0030030 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0030030 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0030030 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0030030 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0030030 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0030030 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0030030 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030030 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0030030 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0030030 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0030030 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0030030 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0030030 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0030030 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0030030 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0030030 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0030030 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0030030 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0030030 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0030030 k( 31) = ( 0.0000000 0.0000000 0.2941176), wk = 0.0030030 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0030030 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0030030 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0030030 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030030 k( 36) = ( 0.0000000 0.0000000 0.3431372), wk = 0.0030030 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0030030 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0030030 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0030030 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0030030 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0030030 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0030030 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0030030 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0030030 k( 45) = ( 0.0000000 0.0000000 0.4313725), wk = 0.0030030 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0030030 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0030030 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0030030 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0030030 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0030030 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0030030 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 54) = ( -0.0094245 0.0094245 0.5000000), wk = 0.0030030 k( 55) = ( -0.0188491 0.0188491 0.5000000), wk = 0.0030030 k( 56) = ( -0.0282736 0.0282736 0.5000000), wk = 0.0030030 k( 57) = ( -0.0376981 0.0376981 0.5000000), wk = 0.0030030 k( 58) = ( -0.0471226 0.0471226 0.5000000), wk = 0.0030030 k( 59) = ( -0.0565472 0.0565472 0.5000000), wk = 0.0030030 k( 60) = ( -0.0659717 0.0659717 0.5000000), wk = 0.0030030 k( 61) = ( -0.0753962 0.0753962 0.5000000), wk = 0.0030030 k( 62) = ( -0.0848208 0.0848207 0.5000000), wk = 0.0030030 k( 63) = ( -0.0848208 0.0848207 0.5000000), wk = 0.0030030 k( 64) = ( -0.0917404 0.0917404 0.4930803), wk = 0.0030030 k( 65) = ( -0.0986601 0.0986601 0.4861607), wk = 0.0030030 k( 66) = ( -0.1055797 0.1055797 0.4792410), wk = 0.0030030 k( 67) = ( -0.1124994 0.1124994 0.4723214), wk = 0.0030030 k( 68) = ( -0.1194190 0.1194190 0.4654017), wk = 0.0030030 k( 69) = ( -0.1263387 0.1263387 0.4584821), wk = 0.0030030 k( 70) = ( -0.1332583 0.1332583 0.4515624), wk = 0.0030030 k( 71) = ( -0.1401780 0.1401780 0.4446428), wk = 0.0030030 k( 72) = ( -0.1470976 0.1470976 0.4377231), wk = 0.0030030 k( 73) = ( -0.1540173 0.1540173 0.4308035), wk = 0.0030030 k( 74) = ( -0.1609369 0.1609369 0.4238838), wk = 0.0030030 k( 75) = ( -0.1678566 0.1678566 0.4169641), wk = 0.0030030 k( 76) = ( -0.1747762 0.1747762 0.4100445), wk = 0.0030030 k( 77) = ( -0.1816959 0.1816959 0.4031248), wk = 0.0030030 k( 78) = ( -0.1886156 0.1886156 0.3962052), wk = 0.0030030 k( 79) = ( -0.1955352 0.1955352 0.3892855), wk = 0.0030030 k( 80) = ( -0.2024549 0.2024549 0.3823659), wk = 0.0030030 k( 81) = ( -0.2093745 0.2093745 0.3754462), wk = 0.0030030 k( 82) = ( -0.2162942 0.2162942 0.3685266), wk = 0.0030030 k( 83) = ( -0.2232138 0.2232138 0.3616069), wk = 0.0030030 k( 84) = ( -0.2301335 0.2301335 0.3546873), wk = 0.0030030 k( 85) = ( -0.2370531 0.2370531 0.3477676), wk = 0.0030030 k( 86) = ( -0.2439728 0.2439728 0.3408480), wk = 0.0030030 k( 87) = ( -0.2508924 0.2508924 0.3339283), wk = 0.0030030 k( 88) = ( -0.2578121 0.2578121 0.3270087), wk = 0.0030030 k( 89) = ( -0.2647318 0.2647318 0.3200890), wk = 0.0030030 k( 90) = ( -0.2716514 0.2716514 0.3131693), wk = 0.0030030 k( 91) = ( -0.2785711 0.2785711 0.3062497), wk = 0.0030030 k( 92) = ( -0.2854907 0.2854907 0.2993300), wk = 0.0030030 k( 93) = ( -0.2924104 0.2924104 0.2924104), wk = 0.0030030 k( 94) = ( -0.2924104 0.2924104 0.2924104), wk = 0.0030030 k( 95) = ( -0.2856101 0.2856101 0.2856101), wk = 0.0030030 k( 96) = ( -0.2788099 0.2788099 0.2788099), wk = 0.0030030 k( 97) = ( -0.2720096 0.2720096 0.2720096), wk = 0.0030030 k( 98) = ( -0.2652094 0.2652094 0.2652094), wk = 0.0030030 k( 99) = ( -0.2584092 0.2584092 0.2584092), wk = 0.0030030 k( 100) = ( -0.2516089 0.2516089 0.2516089), wk = 0.0030030 k( 101) = ( -0.2448087 0.2448087 0.2448087), wk = 0.0030030 k( 102) = ( -0.2380084 0.2380084 0.2380084), wk = 0.0030030 k( 103) = ( -0.2312082 0.2312082 0.2312082), wk = 0.0030030 k( 104) = ( -0.2244080 0.2244080 0.2244080), wk = 0.0030030 k( 105) = ( -0.2176077 0.2176077 0.2176077), wk = 0.0030030 k( 106) = ( -0.2108075 0.2108075 0.2108075), wk = 0.0030030 k( 107) = ( -0.2040072 0.2040072 0.2040072), wk = 0.0030030 k( 108) = ( -0.1972070 0.1972070 0.1972070), wk = 0.0030030 k( 109) = ( -0.1904068 0.1904068 0.1904068), wk = 0.0030030 k( 110) = ( -0.1836065 0.1836065 0.1836065), wk = 0.0030030 k( 111) = ( -0.1768063 0.1768063 0.1768063), wk = 0.0030030 k( 112) = ( -0.1700060 0.1700060 0.1700060), wk = 0.0030030 k( 113) = ( -0.1632058 0.1632058 0.1632058), wk = 0.0030030 k( 114) = ( -0.1564056 0.1564055 0.1564056), wk = 0.0030030 k( 115) = ( -0.1496053 0.1496053 0.1496053), wk = 0.0030030 k( 116) = ( -0.1428051 0.1428051 0.1428051), wk = 0.0030030 k( 117) = ( -0.1360048 0.1360048 0.1360048), wk = 0.0030030 k( 118) = ( -0.1292046 0.1292046 0.1292046), wk = 0.0030030 k( 119) = ( -0.1224043 0.1224043 0.1224043), wk = 0.0030030 k( 120) = ( -0.1156041 0.1156041 0.1156041), wk = 0.0030030 k( 121) = ( -0.1088039 0.1088039 0.1088039), wk = 0.0030030 k( 122) = ( -0.1020036 0.1020036 0.1020036), wk = 0.0030030 k( 123) = ( -0.0952034 0.0952034 0.0952034), wk = 0.0030030 k( 124) = ( -0.0884031 0.0884031 0.0884031), wk = 0.0030030 k( 125) = ( -0.0816029 0.0816029 0.0816029), wk = 0.0030030 k( 126) = ( -0.0748026 0.0748027 0.0748026), wk = 0.0030030 k( 127) = ( -0.0680024 0.0680024 0.0680024), wk = 0.0030030 k( 128) = ( -0.0612022 0.0612022 0.0612022), wk = 0.0030030 k( 129) = ( -0.0544019 0.0544019 0.0544019), wk = 0.0030030 k( 130) = ( -0.0476017 0.0476017 0.0476017), wk = 0.0030030 k( 131) = ( -0.0408015 0.0408014 0.0408014), wk = 0.0030030 k( 132) = ( -0.0340012 0.0340012 0.0340012), wk = 0.0030030 k( 133) = ( -0.0272010 0.0272010 0.0272010), wk = 0.0030030 k( 134) = ( -0.0204007 0.0204007 0.0204007), wk = 0.0030030 k( 135) = ( -0.0136005 0.0136005 0.0136005), wk = 0.0030030 k( 136) = ( -0.0068002 0.0068002 0.0068002), wk = 0.0030030 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 139) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0030030 k( 140) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0030030 k( 141) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0030030 k( 142) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0030030 k( 143) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0030030 k( 144) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0030030 k( 145) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0030030 k( 146) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0030030 k( 147) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0030030 k( 148) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0030030 k( 149) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0030030 k( 150) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0030030 k( 151) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0030030 k( 152) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0030030 k( 153) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0030030 k( 154) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0030030 k( 155) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0030030 k( 156) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0030030 k( 157) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0030030 k( 158) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0030030 k( 159) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0030030 k( 160) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0030030 k( 161) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0030030 k( 162) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0030030 k( 163) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0030030 k( 164) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0030030 k( 165) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0030030 k( 166) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0030030 k( 167) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0030030 k( 168) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030030 k( 169) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030030 k( 170) = ( 0.4930804 0.5069197 -0.4930803), wk = 0.0030030 k( 171) = ( 0.4861607 0.5138393 -0.4861607), wk = 0.0030030 k( 172) = ( 0.4792410 0.5207590 -0.4792410), wk = 0.0030030 k( 173) = ( 0.4723214 0.5276786 -0.4723214), wk = 0.0030030 k( 174) = ( 0.4654017 0.5345983 -0.4654017), wk = 0.0030030 k( 175) = ( 0.4584821 0.5415179 -0.4584821), wk = 0.0030030 k( 176) = ( 0.4515624 0.5484376 -0.4515624), wk = 0.0030030 k( 177) = ( 0.4446428 0.5553572 -0.4446428), wk = 0.0030030 k( 178) = ( 0.4377231 0.5622769 -0.4377231), wk = 0.0030030 k( 179) = ( 0.4308035 0.5691965 -0.4308035), wk = 0.0030030 k( 180) = ( 0.4238838 0.5761162 -0.4238838), wk = 0.0030030 k( 181) = ( 0.4169641 0.5830358 -0.4169641), wk = 0.0030030 k( 182) = ( 0.4100445 0.5899555 -0.4100445), wk = 0.0030030 k( 183) = ( 0.4031248 0.5968752 -0.4031248), wk = 0.0030030 k( 184) = ( 0.3962052 0.6037948 -0.3962052), wk = 0.0030030 k( 185) = ( 0.3892855 0.6107145 -0.3892855), wk = 0.0030030 k( 186) = ( 0.3823659 0.6176341 -0.3823659), wk = 0.0030030 k( 187) = ( 0.3754462 0.6245538 -0.3754462), wk = 0.0030030 k( 188) = ( 0.3685266 0.6314734 -0.3685266), wk = 0.0030030 k( 189) = ( 0.3616069 0.6383931 -0.3616069), wk = 0.0030030 k( 190) = ( 0.3546873 0.6453127 -0.3546873), wk = 0.0030030 k( 191) = ( 0.3477676 0.6522324 -0.3477676), wk = 0.0030030 k( 192) = ( 0.3408480 0.6591520 -0.3408479), wk = 0.0030030 k( 193) = ( 0.3339283 0.6660717 -0.3339283), wk = 0.0030030 k( 194) = ( 0.3270087 0.6729913 -0.3270086), wk = 0.0030030 k( 195) = ( 0.3200890 0.6799110 -0.3200890), wk = 0.0030030 k( 196) = ( 0.3131693 0.6868307 -0.3131693), wk = 0.0030030 k( 197) = ( 0.3062497 0.6937503 -0.3062497), wk = 0.0030030 k( 198) = ( 0.2993300 0.7006700 -0.2993300), wk = 0.0030030 k( 199) = ( 0.2924104 0.7075896 -0.2924104), wk = 0.0030030 k( 200) = ( 0.2924104 0.7075896 -0.2924104), wk = 0.0030030 k( 201) = ( 0.2752098 0.6953785 -0.2752098), wk = 0.0030030 k( 202) = ( 0.2580092 0.6831673 -0.2580092), wk = 0.0030030 k( 203) = ( 0.2408085 0.6709562 -0.2408085), wk = 0.0030030 k( 204) = ( 0.2236079 0.6587450 -0.2236079), wk = 0.0030030 k( 205) = ( 0.2064073 0.6465338 -0.2064073), wk = 0.0030030 k( 206) = ( 0.1892067 0.6343227 -0.1892067), wk = 0.0030030 k( 207) = ( 0.1720061 0.6221115 -0.1720061), wk = 0.0030030 k( 208) = ( 0.1548055 0.6099004 -0.1548055), wk = 0.0030030 k( 209) = ( 0.1376049 0.5976892 -0.1376049), wk = 0.0030030 k( 210) = ( 0.1204043 0.5854781 -0.1204043), wk = 0.0030030 k( 211) = ( 0.1032037 0.5732669 -0.1032037), wk = 0.0030030 k( 212) = ( 0.0860030 0.5610558 -0.0860031), wk = 0.0030030 k( 213) = ( 0.0688024 0.5488446 -0.0688024), wk = 0.0030030 k( 214) = ( 0.0516018 0.5366335 -0.0516018), wk = 0.0030030 k( 215) = ( 0.0344012 0.5244223 -0.0344012), wk = 0.0030030 k( 216) = ( 0.0172006 0.5122111 -0.0172006), wk = 0.0030030 k( 217) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030030 k( 218) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030030 k( 219) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0030030 k( 220) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0030030 k( 221) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0030030 k( 222) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0030030 k( 223) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0030030 k( 224) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0030030 k( 225) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0030030 k( 226) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0030030 k( 227) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030030 k( 228) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0030030 k( 229) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0030030 k( 230) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030030 k( 231) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0030030 k( 232) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0030030 k( 233) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0030030 k( 234) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0030030 k( 235) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0030030 k( 236) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030030 k( 237) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0030030 k( 238) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0030030 k( 239) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0030030 k( 240) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0030030 k( 241) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0030030 k( 242) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030030 k( 243) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0030030 k( 244) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0030030 k( 245) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030030 k( 246) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0030030 k( 247) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0030030 k( 248) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0030030 k( 249) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0030030 k( 250) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0030030 k( 251) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0030030 k( 252) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0030030 k( 253) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0030030 k( 254) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030030 k( 255) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030030 k( 256) = ( 0.2638889 0.2638889 0.2313988), wk = 0.0030030 k( 257) = ( 0.2777778 0.2777778 0.2127977), wk = 0.0030030 k( 258) = ( 0.2916667 0.2916667 0.1941965), wk = 0.0030030 k( 259) = ( 0.3055556 0.3055556 0.1755954), wk = 0.0030030 k( 260) = ( 0.3194444 0.3194444 0.1569942), wk = 0.0030030 k( 261) = ( 0.3333333 0.3333333 0.1383931), wk = 0.0030030 k( 262) = ( 0.3472222 0.3472222 0.1197919), wk = 0.0030030 k( 263) = ( 0.3611111 0.3611111 0.1011908), wk = 0.0030030 k( 264) = ( 0.3750000 0.3750000 0.0825896), wk = 0.0030030 k( 265) = ( 0.3888889 0.3888889 0.0639885), wk = 0.0030030 k( 266) = ( 0.4027778 0.4027778 0.0453873), wk = 0.0030030 k( 267) = ( 0.4166667 0.4166667 0.0267862), wk = 0.0030030 k( 268) = ( 0.4305556 0.4305556 0.0081850), wk = 0.0030030 k( 269) = ( 0.4444444 0.4444444 -0.0104161), wk = 0.0030030 k( 270) = ( 0.4583333 0.4583333 -0.0290173), wk = 0.0030030 k( 271) = ( 0.4722222 0.4722222 -0.0476184), wk = 0.0030030 k( 272) = ( 0.4861111 0.4861111 -0.0662196), wk = 0.0030030 k( 273) = ( 0.5000000 0.5000000 -0.0848208), wk = 0.0030030 k( 274) = ( 0.5000000 0.5000000 -0.0848208), wk = 0.0030030 k( 275) = ( 0.5000000 0.5000000 -0.0944761), wk = 0.0030030 k( 276) = ( 0.5000000 0.5000000 -0.1041314), wk = 0.0030030 k( 277) = ( 0.5000000 0.5000000 -0.1137867), wk = 0.0030030 k( 278) = ( 0.5000000 0.5000000 -0.1234421), wk = 0.0030030 k( 279) = ( 0.5000000 0.5000000 -0.1330974), wk = 0.0030030 k( 280) = ( 0.5000000 0.5000000 -0.1427527), wk = 0.0030030 k( 281) = ( 0.5000000 0.5000000 -0.1524081), wk = 0.0030030 k( 282) = ( 0.5000000 0.5000000 -0.1620634), wk = 0.0030030 k( 283) = ( 0.5000000 0.5000000 -0.1717187), wk = 0.0030030 k( 284) = ( 0.5000000 0.5000000 -0.1813741), wk = 0.0030030 k( 285) = ( 0.5000000 0.5000000 -0.1910294), wk = 0.0030030 k( 286) = ( 0.5000000 0.5000000 -0.2006847), wk = 0.0030030 k( 287) = ( 0.5000000 0.5000000 -0.2103401), wk = 0.0030030 k( 288) = ( 0.5000000 0.5000000 -0.2199954), wk = 0.0030030 k( 289) = ( 0.5000000 0.5000000 -0.2296507), wk = 0.0030030 k( 290) = ( 0.5000000 0.5000000 -0.2393061), wk = 0.0030030 k( 291) = ( 0.5000000 0.5000000 -0.2489614), wk = 0.0030030 k( 292) = ( 0.5000000 0.5000000 -0.2586167), wk = 0.0030030 k( 293) = ( 0.5000000 0.5000000 -0.2682721), wk = 0.0030030 k( 294) = ( 0.5000000 0.5000000 -0.2779274), wk = 0.0030030 k( 295) = ( 0.5000000 0.5000000 -0.2875827), wk = 0.0030030 k( 296) = ( 0.5000000 0.5000000 -0.2972380), wk = 0.0030030 k( 297) = ( 0.5000000 0.5000000 -0.3068934), wk = 0.0030030 k( 298) = ( 0.5000000 0.5000000 -0.3165487), wk = 0.0030030 k( 299) = ( 0.5000000 0.5000000 -0.3262040), wk = 0.0030030 k( 300) = ( 0.5000000 0.5000000 -0.3358594), wk = 0.0030030 k( 301) = ( 0.5000000 0.5000000 -0.3455147), wk = 0.0030030 k( 302) = ( 0.5000000 0.5000000 -0.3551700), wk = 0.0030030 k( 303) = ( 0.5000000 0.5000000 -0.3648254), wk = 0.0030030 k( 304) = ( 0.5000000 0.5000000 -0.3744807), wk = 0.0030030 k( 305) = ( 0.5000000 0.5000000 -0.3841360), wk = 0.0030030 k( 306) = ( 0.5000000 0.5000000 -0.3937913), wk = 0.0030030 k( 307) = ( 0.5000000 0.5000000 -0.4034467), wk = 0.0030030 k( 308) = ( 0.5000000 0.5000000 -0.4131020), wk = 0.0030030 k( 309) = ( 0.5000000 0.5000000 -0.4227573), wk = 0.0030030 k( 310) = ( 0.5000000 0.5000000 -0.4324127), wk = 0.0030030 k( 311) = ( 0.5000000 0.5000000 -0.4420680), wk = 0.0030030 k( 312) = ( 0.5000000 0.5000000 -0.4517233), wk = 0.0030030 k( 313) = ( 0.5000000 0.5000000 -0.4613787), wk = 0.0030030 k( 314) = ( 0.5000000 0.5000000 -0.4710340), wk = 0.0030030 k( 315) = ( 0.5000000 0.5000000 -0.4806893), wk = 0.0030030 k( 316) = ( 0.5000000 0.5000000 -0.4903447), wk = 0.0030030 k( 317) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030030 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 319) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0030030 k( 320) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0030030 k( 321) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0030030 k( 322) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0030030 k( 323) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030030 k( 324) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0030030 k( 325) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0030030 k( 326) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0030030 k( 327) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0030030 k( 328) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030030 k( 329) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0030030 k( 330) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0030030 k( 331) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0030030 k( 332) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0030030 k( 333) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030030 Dense grid: 52953 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 27883 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 218, 50) NL pseudopotentials 0.22 Mb ( 109, 130) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1471) G-vector shells 0.01 Mb ( 658) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 218, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.20 Mb ( 130, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrxZnGex2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.6 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.6 secs Computing kpt #: 16 total cpu time spent up to now is 10.1 secs Computing kpt #: 17 total cpu time spent up to now is 10.5 secs Computing kpt #: 18 total cpu time spent up to now is 11.0 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 12.0 secs Computing kpt #: 21 total cpu time spent up to now is 12.5 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.6 secs Computing kpt #: 24 total cpu time spent up to now is 14.2 secs Computing kpt #: 25 total cpu time spent up to now is 14.7 secs Computing kpt #: 26 total cpu time spent up to now is 15.2 secs Computing kpt #: 27 total cpu time spent up to now is 15.8 secs Computing kpt #: 28 total cpu time spent up to now is 16.3 secs Computing kpt #: 29 total cpu time spent up to now is 16.8 secs Computing kpt #: 30 total cpu time spent up to now is 17.3 secs Computing kpt #: 31 total cpu time spent up to now is 17.8 secs Computing kpt #: 32 total cpu time spent up to now is 18.4 secs Computing kpt #: 33 total cpu time spent up to now is 18.9 secs Computing kpt #: 34 total cpu time spent up to now is 19.5 secs Computing kpt #: 35 total cpu time spent up to now is 20.1 secs Computing kpt #: 36 total cpu time spent up to now is 20.7 secs Computing kpt #: 37 total cpu time spent up to now is 21.2 secs Computing kpt #: 38 total cpu time spent up to now is 21.8 secs Computing kpt #: 39 total cpu time spent up to now is 22.4 secs Computing kpt #: 40 total cpu time spent up to now is 23.0 secs Computing kpt #: 41 total cpu time spent up to now is 23.7 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 24.9 secs Computing kpt #: 44 total cpu time spent up to now is 25.4 secs Computing kpt #: 45 total cpu time spent up to now is 25.9 secs Computing kpt #: 46 total cpu time spent up to now is 26.4 secs Computing kpt #: 47 total cpu time spent up to now is 26.9 secs Computing kpt #: 48 total cpu time spent up to now is 27.4 secs Computing kpt #: 49 total cpu time spent up to now is 27.9 secs Computing kpt #: 50 total cpu time spent up to now is 28.5 secs Computing kpt #: 51 total cpu time spent up to now is 29.1 secs Computing kpt #: 52 total cpu time spent up to now is 29.7 secs Computing kpt #: 53 total cpu time spent up to now is 30.3 secs Computing kpt #: 54 total cpu time spent up to now is 30.7 secs Computing kpt #: 55 total cpu time spent up to now is 31.3 secs Computing kpt #: 56 total cpu time spent up to now is 31.8 secs Computing kpt #: 57 total cpu time spent up to now is 32.4 secs Computing kpt #: 58 total cpu time spent up to now is 33.0 secs Computing kpt #: 59 total cpu time spent up to now is 33.6 secs Computing kpt #: 60 total cpu time spent up to now is 34.2 secs Computing kpt #: 61 total cpu time spent up to now is 34.8 secs Computing kpt #: 62 total cpu time spent up to now is 35.4 secs Computing kpt #: 63 total cpu time spent up to now is 36.0 secs Computing kpt #: 64 total cpu time spent up to now is 36.6 secs Computing kpt #: 65 total cpu time spent up to now is 37.1 secs Computing kpt #: 66 total cpu time spent up to now is 37.8 secs Computing kpt #: 67 total cpu time spent up to now is 38.4 secs Computing kpt #: 68 total cpu time spent up to now is 39.0 secs Computing kpt #: 69 total cpu time spent up to now is 39.5 secs Computing kpt #: 70 total cpu time spent up to now is 40.1 secs Computing kpt #: 71 total cpu time spent up to now is 40.7 secs Computing kpt #: 72 total cpu time spent up to now is 41.2 secs Computing kpt #: 73 total cpu time spent up to now is 41.8 secs Computing kpt #: 74 total cpu time spent up to now is 42.3 secs Computing kpt #: 75 total cpu time spent up to now is 42.8 secs Computing kpt #: 76 total cpu time spent up to now is 43.3 secs Computing kpt #: 77 total cpu time spent up to now is 43.8 secs Computing kpt #: 78 total cpu time spent up to now is 44.4 secs Computing kpt #: 79 total cpu time spent up to now is 44.9 secs Computing kpt #: 80 total cpu time spent up to now is 45.4 secs Computing kpt #: 81 total cpu time spent up to now is 45.9 secs Computing kpt #: 82 total cpu time spent up to now is 46.4 secs Computing kpt #: 83 total cpu time spent up to now is 47.0 secs Computing kpt #: 84 total cpu time spent up to now is 47.5 secs Computing kpt #: 85 total cpu time spent up to now is 48.0 secs Computing kpt #: 86 total cpu time spent up to now is 48.5 secs Computing kpt #: 87 total cpu time spent up to now is 49.1 secs Computing kpt #: 88 total cpu time spent up to now is 49.6 secs Computing kpt #: 89 total cpu time spent up to now is 50.1 secs Computing kpt #: 90 total cpu time spent up to now is 50.6 secs Computing kpt #: 91 total cpu time spent up to now is 51.2 secs Computing kpt #: 92 total cpu time spent up to now is 51.7 secs Computing kpt #: 93 total cpu time spent up to now is 52.2 secs Computing kpt #: 94 total cpu time spent up to now is 52.7 secs Computing kpt #: 95 total cpu time spent up to now is 53.2 secs Computing kpt #: 96 total cpu time spent up to now is 53.7 secs Computing kpt #: 97 total cpu time spent up to now is 54.3 secs Computing kpt #: 98 total cpu time spent up to now is 54.8 secs Computing kpt #: 99 total cpu time spent up to now is 55.3 secs Computing kpt #: 100 total cpu time spent up to now is 55.8 secs Computing kpt #: 101 total cpu time spent up to now is 56.3 secs Computing kpt #: 102 total cpu time spent up to now is 56.8 secs Computing kpt #: 103 total cpu time spent up to now is 57.4 secs Computing kpt #: 104 total cpu time spent up to now is 57.9 secs Computing kpt #: 105 total cpu time spent up to now is 58.4 secs Computing kpt #: 106 total cpu time spent up to now is 58.9 secs Computing kpt #: 107 total cpu time spent up to now is 59.4 secs Computing kpt #: 108 total cpu time spent up to now is 59.9 secs Computing kpt #: 109 total cpu time spent up to now is 60.4 secs Computing kpt #: 110 total cpu time spent up to now is 60.9 secs Computing kpt #: 111 total cpu time spent up to now is 61.4 secs Computing kpt #: 112 total cpu time spent up to now is 62.0 secs Computing kpt #: 113 total cpu time spent up to now is 62.5 secs Computing kpt #: 114 total cpu time spent up to now is 63.0 secs Computing kpt #: 115 total cpu time spent up to now is 63.5 secs Computing kpt #: 116 total cpu time spent up to now is 64.0 secs Computing kpt #: 117 total cpu time spent up to now is 64.5 secs Computing kpt #: 118 total cpu time spent up to now is 65.0 secs Computing kpt #: 119 total cpu time spent up to now is 65.5 secs Computing kpt #: 120 total cpu time spent up to now is 66.0 secs Computing kpt #: 121 total cpu time spent up to now is 66.5 secs Computing kpt #: 122 total cpu time spent up to now is 67.0 secs Computing kpt #: 123 total cpu time spent up to now is 67.5 secs Computing kpt #: 124 total cpu time spent up to now is 68.0 secs Computing kpt #: 125 total cpu time spent up to now is 68.4 secs Computing kpt #: 126 total cpu time spent up to now is 68.9 secs Computing kpt #: 127 total cpu time spent up to now is 69.3 secs Computing kpt #: 128 total cpu time spent up to now is 69.8 secs Computing kpt #: 129 total cpu time spent up to now is 70.3 secs Computing kpt #: 130 total cpu time spent up to now is 70.7 secs Computing kpt #: 131 total cpu time spent up to now is 71.2 secs Computing kpt #: 132 total cpu time spent up to now is 71.6 secs Computing kpt #: 133 total cpu time spent up to now is 72.0 secs Computing kpt #: 134 total cpu time spent up to now is 72.5 secs Computing kpt #: 135 total cpu time spent up to now is 72.9 secs Computing kpt #: 136 total cpu time spent up to now is 73.4 secs Computing kpt #: 137 total cpu time spent up to now is 73.8 secs Computing kpt #: 138 total cpu time spent up to now is 74.2 secs Computing kpt #: 139 total cpu time spent up to now is 74.6 secs Computing kpt #: 140 total cpu time spent up to now is 75.1 secs Computing kpt #: 141 total cpu time spent up to now is 75.5 secs Computing kpt #: 142 total cpu time spent up to now is 76.0 secs Computing kpt #: 143 total cpu time spent up to now is 76.4 secs Computing kpt #: 144 total cpu time spent up to now is 76.9 secs Computing kpt #: 145 total cpu time spent up to now is 77.3 secs Computing kpt #: 146 total cpu time spent up to now is 77.8 secs Computing kpt #: 147 total cpu time spent up to now is 78.2 secs Computing kpt #: 148 total cpu time spent up to now is 78.7 secs Computing kpt #: 149 total cpu time spent up to now is 79.2 secs Computing kpt #: 150 total cpu time spent up to now is 79.7 secs Computing kpt #: 151 total cpu time spent up to now is 80.2 secs Computing kpt #: 152 total cpu time spent up to now is 80.8 secs Computing kpt #: 153 total cpu time spent up to now is 81.3 secs Computing kpt #: 154 total cpu time spent up to now is 81.8 secs Computing kpt #: 155 total cpu time spent up to now is 82.2 secs Computing kpt #: 156 total cpu time spent up to now is 82.7 secs Computing kpt #: 157 total cpu time spent up to now is 83.2 secs Computing kpt #: 158 total cpu time spent up to now is 83.7 secs Computing kpt #: 159 total cpu time spent up to now is 84.2 secs Computing kpt #: 160 total cpu time spent up to now is 84.7 secs Computing kpt #: 161 total cpu time spent up to now is 85.2 secs Computing kpt #: 162 total cpu time spent up to now is 85.7 secs Computing kpt #: 163 total cpu time spent up to now is 86.2 secs Computing kpt #: 164 total cpu time spent up to now is 86.7 secs Computing kpt #: 165 total cpu time spent up to now is 87.2 secs Computing kpt #: 166 total cpu time spent up to now is 87.8 secs Computing kpt #: 167 total cpu time spent up to now is 88.4 secs Computing kpt #: 168 total cpu time spent up to now is 89.1 secs Computing kpt #: 169 total cpu time spent up to now is 89.8 secs Computing kpt #: 170 total cpu time spent up to now is 90.5 secs Computing kpt #: 171 total cpu time spent up to now is 91.3 secs Computing kpt #: 172 total cpu time spent up to now is 91.9 secs Computing kpt #: 173 total cpu time spent up to now is 92.5 secs Computing kpt #: 174 total cpu time spent up to now is 93.1 secs Computing kpt #: 175 total cpu time spent up to now is 93.6 secs Computing kpt #: 176 total cpu time spent up to now is 94.2 secs Computing kpt #: 177 total cpu time spent up to now is 94.7 secs Computing kpt #: 178 total cpu time spent up to now is 95.2 secs Computing kpt #: 179 total cpu time spent up to now is 95.8 secs Computing kpt #: 180 total cpu time spent up to now is 96.3 secs Computing kpt #: 181 total cpu time spent up to now is 96.8 secs Computing kpt #: 182 total cpu time spent up to now is 97.4 secs Computing kpt #: 183 total cpu time spent up to now is 97.9 secs Computing kpt #: 184 total cpu time spent up to now is 98.4 secs Computing kpt #: 185 total cpu time spent up to now is 98.9 secs Computing kpt #: 186 total cpu time spent up to now is 99.5 secs Computing kpt #: 187 total cpu time spent up to now is 100.0 secs Computing kpt #: 188 total cpu time spent up to now is 100.5 secs Computing kpt #: 189 total cpu time spent up to now is 101.0 secs Computing kpt #: 190 total cpu time spent up to now is 101.5 secs Computing kpt #: 191 total cpu time spent up to now is 102.0 secs Computing kpt #: 192 total cpu time spent up to now is 102.5 secs Computing kpt #: 193 total cpu time spent up to now is 103.0 secs Computing kpt #: 194 total cpu time spent up to now is 103.5 secs Computing kpt #: 195 total cpu time spent up to now is 104.0 secs Computing kpt #: 196 total cpu time spent up to now is 104.6 secs Computing kpt #: 197 total cpu time spent up to now is 105.1 secs Computing kpt #: 198 total cpu time spent up to now is 105.6 secs Computing kpt #: 199 total cpu time spent up to now is 106.1 secs Computing kpt #: 200 total cpu time spent up to now is 106.7 secs Computing kpt #: 201 total cpu time spent up to now is 107.2 secs Computing kpt #: 202 total cpu time spent up to now is 107.7 secs Computing kpt #: 203 total cpu time spent up to now is 108.2 secs Computing kpt #: 204 total cpu time spent up to now is 108.7 secs Computing kpt #: 205 total cpu time spent up to now is 109.3 secs Computing kpt #: 206 total cpu time spent up to now is 109.7 secs Computing kpt #: 207 total cpu time spent up to now is 110.2 secs Computing kpt #: 208 total cpu time spent up to now is 110.7 secs Computing kpt #: 209 total cpu time spent up to now is 111.2 secs Computing kpt #: 210 total cpu time spent up to now is 111.7 secs Computing kpt #: 211 total cpu time spent up to now is 112.1 secs Computing kpt #: 212 total cpu time spent up to now is 112.6 secs Computing kpt #: 213 total cpu time spent up to now is 113.1 secs Computing kpt #: 214 total cpu time spent up to now is 113.5 secs Computing kpt #: 215 total cpu time spent up to now is 114.1 secs Computing kpt #: 216 total cpu time spent up to now is 114.6 secs Computing kpt #: 217 total cpu time spent up to now is 115.0 secs Computing kpt #: 218 total cpu time spent up to now is 115.5 secs Computing kpt #: 219 total cpu time spent up to now is 115.9 secs Computing kpt #: 220 total cpu time spent up to now is 116.4 secs Computing kpt #: 221 total cpu time spent up to now is 116.8 secs Computing kpt #: 222 total cpu time spent up to now is 117.3 secs Computing kpt #: 223 total cpu time spent up to now is 117.7 secs Computing kpt #: 224 total cpu time spent up to now is 118.2 secs Computing kpt #: 225 total cpu time spent up to now is 118.7 secs Computing kpt #: 226 total cpu time spent up to now is 119.2 secs Computing kpt #: 227 total cpu time spent up to now is 119.7 secs Computing kpt #: 228 total cpu time spent up to now is 120.2 secs Computing kpt #: 229 total cpu time spent up to now is 120.7 secs Computing kpt #: 230 total cpu time spent up to now is 121.2 secs Computing kpt #: 231 total cpu time spent up to now is 121.7 secs Computing kpt #: 232 total cpu time spent up to now is 122.3 secs Computing kpt #: 233 total cpu time spent up to now is 122.8 secs Computing kpt #: 234 total cpu time spent up to now is 123.3 secs Computing kpt #: 235 total cpu time spent up to now is 123.8 secs Computing kpt #: 236 total cpu time spent up to now is 124.2 secs Computing kpt #: 237 total cpu time spent up to now is 124.7 secs Computing kpt #: 238 total cpu time spent up to now is 125.2 secs Computing kpt #: 239 total cpu time spent up to now is 125.7 secs Computing kpt #: 240 total cpu time spent up to now is 126.2 secs Computing kpt #: 241 total cpu time spent up to now is 126.6 secs Computing kpt #: 242 total cpu time spent up to now is 127.1 secs Computing kpt #: 243 total cpu time spent up to now is 127.6 secs Computing kpt #: 244 total cpu time spent up to now is 128.1 secs Computing kpt #: 245 total cpu time spent up to now is 128.5 secs Computing kpt #: 246 total cpu time spent up to now is 129.0 secs Computing kpt #: 247 total cpu time spent up to now is 129.5 secs Computing kpt #: 248 total cpu time spent up to now is 130.0 secs Computing kpt #: 249 total cpu time spent up to now is 130.4 secs Computing kpt #: 250 total cpu time spent up to now is 130.9 secs Computing kpt #: 251 total cpu time spent up to now is 131.4 secs Computing kpt #: 252 total cpu time spent up to now is 131.9 secs Computing kpt #: 253 total cpu time spent up to now is 132.4 secs Computing kpt #: 254 total cpu time spent up to now is 132.9 secs Computing kpt #: 255 total cpu time spent up to now is 133.4 secs Computing kpt #: 256 total cpu time spent up to now is 134.0 secs Computing kpt #: 257 total cpu time spent up to now is 134.4 secs Computing kpt #: 258 total cpu time spent up to now is 134.9 secs Computing kpt #: 259 total cpu time spent up to now is 135.4 secs Computing kpt #: 260 total cpu time spent up to now is 135.9 secs Computing kpt #: 261 total cpu time spent up to now is 136.4 secs Computing kpt #: 262 total cpu time spent up to now is 136.9 secs Computing kpt #: 263 total cpu time spent up to now is 137.4 secs Computing kpt #: 264 total cpu time spent up to now is 137.9 secs Computing kpt #: 265 total cpu time spent up to now is 138.4 secs Computing kpt #: 266 total cpu time spent up to now is 138.9 secs Computing kpt #: 267 total cpu time spent up to now is 139.4 secs Computing kpt #: 268 total cpu time spent up to now is 139.9 secs Computing kpt #: 269 total cpu time spent up to now is 140.4 secs Computing kpt #: 270 total cpu time spent up to now is 140.9 secs Computing kpt #: 271 total cpu time spent up to now is 141.5 secs Computing kpt #: 272 total cpu time spent up to now is 142.0 secs Computing kpt #: 273 total cpu time spent up to now is 142.6 secs Computing kpt #: 274 total cpu time spent up to now is 143.2 secs Computing kpt #: 275 total cpu time spent up to now is 143.8 secs Computing kpt #: 276 total cpu time spent up to now is 144.4 secs Computing kpt #: 277 total cpu time spent up to now is 145.0 secs Computing kpt #: 278 total cpu time spent up to now is 145.6 secs Computing kpt #: 279 total cpu time spent up to now is 146.3 secs Computing kpt #: 280 total cpu time spent up to now is 146.9 secs Computing kpt #: 281 total cpu time spent up to now is 147.5 secs Computing kpt #: 282 total cpu time spent up to now is 148.1 secs Computing kpt #: 283 total cpu time spent up to now is 148.7 secs Computing kpt #: 284 total cpu time spent up to now is 149.3 secs Computing kpt #: 285 total cpu time spent up to now is 149.9 secs Computing kpt #: 286 total cpu time spent up to now is 150.5 secs Computing kpt #: 287 total cpu time spent up to now is 151.0 secs Computing kpt #: 288 total cpu time spent up to now is 151.5 secs Computing kpt #: 289 total cpu time spent up to now is 152.0 secs Computing kpt #: 290 total cpu time spent up to now is 152.5 secs Computing kpt #: 291 total cpu time spent up to now is 152.9 secs Computing kpt #: 292 total cpu time spent up to now is 153.4 secs Computing kpt #: 293 total cpu time spent up to now is 153.9 secs Computing kpt #: 294 total cpu time spent up to now is 154.4 secs Computing kpt #: 295 total cpu time spent up to now is 154.9 secs Computing kpt #: 296 total cpu time spent up to now is 155.5 secs Computing kpt #: 297 total cpu time spent up to now is 156.0 secs Computing kpt #: 298 total cpu time spent up to now is 156.5 secs Computing kpt #: 299 total cpu time spent up to now is 157.1 secs Computing kpt #: 300 total cpu time spent up to now is 157.6 secs Computing kpt #: 301 total cpu time spent up to now is 158.2 secs Computing kpt #: 302 total cpu time spent up to now is 158.7 secs Computing kpt #: 303 total cpu time spent up to now is 159.2 secs Computing kpt #: 304 total cpu time spent up to now is 159.8 secs Computing kpt #: 305 total cpu time spent up to now is 160.3 secs Computing kpt #: 306 total cpu time spent up to now is 160.9 secs Computing kpt #: 307 total cpu time spent up to now is 161.4 secs Computing kpt #: 308 total cpu time spent up to now is 162.0 secs Computing kpt #: 309 total cpu time spent up to now is 162.6 secs Computing kpt #: 310 total cpu time spent up to now is 163.2 secs Computing kpt #: 311 total cpu time spent up to now is 163.7 secs Computing kpt #: 312 total cpu time spent up to now is 164.4 secs Computing kpt #: 313 total cpu time spent up to now is 165.0 secs Computing kpt #: 314 total cpu time spent up to now is 165.8 secs Computing kpt #: 315 total cpu time spent up to now is 166.6 secs Computing kpt #: 316 total cpu time spent up to now is 167.3 secs Computing kpt #: 317 total cpu time spent up to now is 168.0 secs Computing kpt #: 318 total cpu time spent up to now is 168.6 secs Computing kpt #: 319 total cpu time spent up to now is 169.2 secs Computing kpt #: 320 total cpu time spent up to now is 169.8 secs Computing kpt #: 321 total cpu time spent up to now is 170.3 secs Computing kpt #: 322 total cpu time spent up to now is 170.8 secs Computing kpt #: 323 total cpu time spent up to now is 171.4 secs Computing kpt #: 324 total cpu time spent up to now is 171.9 secs Computing kpt #: 325 total cpu time spent up to now is 172.4 secs Computing kpt #: 326 total cpu time spent up to now is 173.0 secs Computing kpt #: 327 total cpu time spent up to now is 173.5 secs Computing kpt #: 328 total cpu time spent up to now is 174.0 secs Computing kpt #: 329 total cpu time spent up to now is 174.5 secs Computing kpt #: 330 total cpu time spent up to now is 175.0 secs Computing kpt #: 331 total cpu time spent up to now is 175.5 secs Computing kpt #: 332 total cpu time spent up to now is 176.0 secs Computing kpt #: 333 total cpu time spent up to now is 176.5 secs ethr = 2.38E-08, avg # of iterations = 18.2 total cpu time spent up to now is 176.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3485 PWs) bands (ev): -26.3579 -26.3579 -9.1926 -9.1926 -8.0887 -8.0887 -8.0210 -8.0210 -2.0256 -2.0256 0.6127 0.6127 1.4138 1.4138 1.4221 1.4221 1.4628 1.4628 1.6368 1.6368 1.8430 1.8430 1.8944 1.8944 1.9791 1.9791 2.0342 2.0342 2.1329 2.1329 2.9876 2.9876 3.8899 3.8899 7.0145 7.0145 7.0314 7.0314 8.8008 8.8008 8.9113 8.9113 8.9617 8.9617 9.3141 9.3141 10.8965 10.8965 11.4943 11.4943 k = 0.0000 0.0000 0.0195 ( 3481 PWs) bands (ev): -26.3579 -26.3579 -9.1926 -9.1926 -8.0887 -8.0887 -8.0211 -8.0211 -2.0242 -2.0242 0.6128 0.6128 1.4141 1.4141 1.4221 1.4221 1.4630 1.4630 1.6369 1.6369 1.8429 1.8429 1.8942 1.8942 1.9790 1.9790 2.0339 2.0339 2.1326 2.1326 2.9876 2.9876 3.8902 3.8902 7.0067 7.0067 7.0278 7.0278 8.7851 8.7851 8.9241 8.9241 8.9435 8.9435 9.3418 9.3418 10.8985 10.8985 11.5044 11.5044 k = 0.0000 0.0000 0.0390 ( 3483 PWs) bands (ev): -26.3578 -26.3578 -9.1928 -9.1928 -8.0888 -8.0888 -8.0216 -8.0216 -2.0202 -2.0202 0.6132 0.6132 1.4149 1.4149 1.4224 1.4224 1.4634 1.4634 1.6369 1.6369 1.8425 1.8425 1.8938 1.8938 1.9788 1.9788 2.0330 2.0330 2.1316 2.1316 2.9877 2.9877 3.8912 3.8912 6.9767 6.9767 7.0247 7.0247 8.7408 8.7408 8.8930 8.8930 8.9694 8.9694 9.4109 9.4109 10.9046 10.9046 11.5336 11.5336 k = 0.0000 0.0000 0.0584 ( 3483 PWs) bands (ev): -26.3578 -26.3578 -9.1931 -9.1931 -8.0890 -8.0890 -8.0223 -8.0223 -2.0134 -2.0134 0.6138 0.6138 1.4160 1.4160 1.4230 1.4230 1.4641 1.4641 1.6370 1.6370 1.8420 1.8420 1.8932 1.8932 1.9785 1.9785 2.0315 2.0315 2.1300 2.1300 2.9878 2.9878 3.8928 3.8928 6.9261 6.9261 7.0232 7.0232 8.6755 8.6755 8.8316 8.8316 9.0366 9.0366 9.5020 9.5020 10.9148 10.9148 11.5797 11.5797 k = 0.0000 0.0000 0.0779 ( 3487 PWs) bands (ev): -26.3577 -26.3577 -9.1935 -9.1935 -8.0892 -8.0892 -8.0232 -8.0232 -2.0040 -2.0040 0.6146 0.6146 1.4172 1.4172 1.4242 1.4242 1.4650 1.4650 1.6371 1.6371 1.8412 1.8412 1.8923 1.8923 1.9780 1.9780 2.0295 2.0295 2.1277 2.1277 2.9880 2.9880 3.8949 3.8949 6.8597 6.8597 7.0219 7.0219 8.5979 8.5979 8.7598 8.7598 9.1258 9.1258 9.6049 9.6049 10.9292 10.9292 11.6392 11.6392 k = 0.0000 0.0000 0.0974 ( 3483 PWs) bands (ev): -26.3577 -26.3577 -9.1940 -9.1940 -8.0895 -8.0895 -8.0245 -8.0245 -1.9919 -1.9919 0.6157 0.6157 1.4180 1.4180 1.4264 1.4264 1.4662 1.4662 1.6372 1.6372 1.8402 1.8402 1.8913 1.8913 1.9773 1.9773 2.0270 2.0270 2.1248 2.1248 2.9881 2.9881 3.8976 3.8976 6.7814 6.7814 7.0205 7.0205 8.5144 8.5144 8.6789 8.6789 9.2331 9.2331 9.7153 9.7153 10.9478 10.9478 11.7081 11.7081 k = 0.0000 0.0000 0.1169 ( 3499 PWs) bands (ev): -26.3576 -26.3576 -9.1946 -9.1946 -8.0898 -8.0898 -8.0260 -8.0260 -1.9772 -1.9772 0.6169 0.6169 1.4184 1.4184 1.4296 1.4296 1.4676 1.4676 1.6374 1.6374 1.8389 1.8389 1.8902 1.8902 1.9765 1.9765 2.0240 2.0240 2.1212 2.1212 2.9882 2.9882 3.9007 3.9007 6.6946 6.6946 7.0189 7.0189 8.4282 8.4282 8.5902 8.5902 9.3552 9.3552 9.8309 9.8309 10.9707 10.9707 11.7822 11.7822 k = 0.0000 0.0000 0.1363 ( 3495 PWs) bands (ev): -26.3575 -26.3575 -9.1953 -9.1953 -8.0902 -8.0902 -8.0277 -8.0277 -1.9600 -1.9600 0.6184 0.6184 1.4185 1.4185 1.4336 1.4336 1.4693 1.4693 1.6376 1.6376 1.8373 1.8373 1.8891 1.8891 1.9755 1.9755 2.0207 2.0207 2.1169 2.1169 2.9881 2.9881 3.9042 3.9042 6.6018 6.6018 7.0170 7.0170 8.3413 8.3413 8.4959 8.4959 9.4896 9.4896 9.9508 9.9508 10.9978 10.9978 11.8573 11.8573 k = 0.0000 0.0000 0.1558 ( 3495 PWs) bands (ev): -26.3574 -26.3574 -9.1961 -9.1961 -8.0906 -8.0906 -8.0297 -8.0297 -1.9404 -1.9404 0.6201 0.6201 1.4184 1.4184 1.4383 1.4383 1.4713 1.4713 1.6380 1.6380 1.8355 1.8355 1.8880 1.8880 1.9744 1.9744 2.0170 2.0170 2.1121 2.1121 2.9880 2.9880 3.9079 3.9079 6.5053 6.5053 7.0149 7.0149 8.2544 8.2544 8.3978 8.3978 9.6341 9.6341 10.0742 10.0742 11.0292 11.0292 11.9302 11.9302 k = 0.0000 0.0000 0.1753 ( 3503 PWs) bands (ev): -26.3572 -26.3572 -9.1970 -9.1970 -8.0911 -8.0911 -8.0318 -8.0318 -1.9183 -1.9183 0.6221 0.6221 1.4181 1.4181 1.4435 1.4435 1.4735 1.4735 1.6383 1.6383 1.8334 1.8334 1.8870 1.8870 1.9731 1.9731 2.0129 2.0129 2.1066 2.1066 2.9876 2.9876 3.9118 3.9118 6.4065 6.4065 7.0126 7.0126 8.1681 8.1681 8.2980 8.2980 9.7872 9.7872 10.2009 10.2009 11.0649 11.0649 11.9980 11.9980 k = 0.0000 0.0000 0.1948 ( 3509 PWs) bands (ev): -26.3571 -26.3571 -9.1979 -9.1979 -8.0916 -8.0916 -8.0342 -8.0342 -1.8939 -1.8939 0.6242 0.6242 1.4176 1.4176 1.4492 1.4492 1.4760 1.4760 1.6388 1.6388 1.8310 1.8310 1.8861 1.8861 1.9715 1.9715 2.0087 2.0087 2.1006 2.1006 2.9871 2.9871 3.9156 3.9156 6.3067 6.3067 7.0101 7.0101 8.0823 8.0823 8.1982 8.1982 9.9474 9.9474 10.3306 10.3306 11.1049 11.1049 12.0593 12.0593 k = 0.0000 0.0000 0.2143 ( 3513 PWs) bands (ev): -26.3569 -26.3569 -9.1990 -9.1990 -8.0922 -8.0922 -8.0368 -8.0368 -1.8673 -1.8673 0.6266 0.6266 1.4170 1.4170 1.4551 1.4551 1.4788 1.4788 1.6394 1.6394 1.8285 1.8285 1.8853 1.8853 1.9698 1.9698 2.0043 2.0043 2.0941 2.0941 2.9862 2.9862 3.9192 3.9192 6.2068 6.2068 7.0073 7.0073 7.9968 7.9968 8.1002 8.1002 10.1139 10.1139 10.4630 10.4630 11.1493 11.1493 12.1130 12.1130 k = 0.0000 0.0000 0.2337 ( 3513 PWs) bands (ev): -26.3567 -26.3567 -9.2001 -9.2001 -8.0928 -8.0928 -8.0395 -8.0395 -1.8385 -1.8385 0.6292 0.6292 1.4163 1.4163 1.4613 1.4613 1.4818 1.4818 1.6401 1.6401 1.8260 1.8260 1.8847 1.8847 1.9677 1.9677 1.9998 1.9998 2.0872 2.0872 2.9849 2.9849 3.9225 3.9225 6.1075 6.1075 7.0044 7.0044 7.9113 7.9113 8.0055 8.0055 10.2859 10.2859 10.5980 10.5980 11.1979 11.1979 12.1592 12.1592 k = 0.0000 0.0000 0.2532 ( 3511 PWs) bands (ev): -26.3566 -26.3566 -9.2013 -9.2013 -8.0934 -8.0934 -8.0424 -8.0424 -1.8078 -1.8078 0.6320 0.6320 1.4155 1.4155 1.4675 1.4675 1.4852 1.4852 1.6409 1.6409 1.8234 1.8234 1.8842 1.8842 1.9652 1.9652 1.9954 1.9954 2.0798 2.0798 2.9833 2.9833 3.9253 3.9253 6.0094 6.0094 7.0014 7.0014 7.8256 7.8256 7.9154 7.9154 10.4626 10.4626 10.7355 10.7355 11.2508 11.2508 12.1981 12.1981 k = 0.0000 0.0000 0.2727 ( 3503 PWs) bands (ev): -26.3564 -26.3564 -9.2026 -9.2026 -8.0941 -8.0941 -8.0454 -8.0454 -1.7752 -1.7752 0.6349 0.6349 1.4145 1.4145 1.4736 1.4736 1.4889 1.4889 1.6418 1.6418 1.8210 1.8210 1.8840 1.8840 1.9623 1.9623 1.9911 1.9911 2.0722 2.0722 2.9812 2.9812 3.9274 3.9274 5.9129 5.9129 6.9984 6.9984 7.7399 7.7399 7.8304 7.8304 10.6436 10.6436 10.8754 10.8754 11.3079 11.3079 12.2301 12.2301 k = 0.0000 0.0000 0.2922 ( 3501 PWs) bands (ev): -26.3562 -26.3562 -9.2039 -9.2039 -8.0948 -8.0948 -8.0485 -8.0485 -1.7408 -1.7408 0.6381 0.6381 1.4133 1.4133 1.4795 1.4795 1.4931 1.4931 1.6429 1.6429 1.8188 1.8188 1.8838 1.8838 1.9587 1.9587 1.9872 1.9872 2.0643 2.0643 2.9786 2.9786 3.9288 3.9288 5.8184 5.8184 6.9953 6.9953 7.6551 7.6551 7.7503 7.7503 10.8284 10.8284 11.0175 11.0175 11.3691 11.3691 12.2558 12.2558 k = 0.0000 0.0000 0.3117 ( 3499 PWs) bands (ev): -26.3559 -26.3559 -9.2053 -9.2053 -8.0955 -8.0955 -8.0517 -8.0517 -1.7048 -1.7048 0.6414 0.6414 1.4120 1.4120 1.4850 1.4850 1.4976 1.4976 1.6441 1.6441 1.8169 1.8169 1.8838 1.8838 1.9545 1.9545 1.9836 1.9836 2.0563 2.0563 2.9754 2.9754 3.9291 3.9291 5.7261 5.7261 6.9924 6.9924 7.5723 7.5723 7.6745 7.6745 11.0165 11.0165 11.1617 11.1617 11.4342 11.4342 12.2757 12.2757 k = 0.0000 0.0000 0.3311 ( 3501 PWs) bands (ev): -26.3557 -26.3557 -9.2067 -9.2067 -8.0962 -8.0962 -8.0549 -8.0549 -1.6673 -1.6673 0.6449 0.6449 1.4106 1.4106 1.4902 1.4902 1.5024 1.5024 1.6454 1.6454 1.8154 1.8154 1.8838 1.8838 1.9495 1.9495 1.9805 1.9805 2.0483 2.0483 2.9716 2.9716 3.9283 3.9283 5.6362 5.6362 6.9895 6.9895 7.4925 7.4925 7.6024 7.6024 11.2074 11.2074 11.3080 11.3080 11.5032 11.5032 12.2902 12.2902 k = 0.0000 0.0000 0.3506 ( 3501 PWs) bands (ev): -26.3555 -26.3555 -9.2082 -9.2082 -8.0970 -8.0970 -8.0582 -8.0582 -1.6285 -1.6285 0.6485 0.6485 1.4091 1.4091 1.4950 1.4950 1.5074 1.5074 1.6469 1.6469 1.8144 1.8144 1.8840 1.8840 1.9437 1.9437 1.9778 1.9778 2.0404 2.0404 2.9672 2.9672 3.9263 3.9263 5.5488 5.5488 6.9870 6.9870 7.4165 7.4165 7.5334 7.5334 11.4002 11.4002 11.4562 11.4562 11.5758 11.5758 12.2994 12.2994 k = 0.0000 0.0000 0.3701 ( 3497 PWs) bands (ev): -26.3552 -26.3552 -9.2096 -9.2096 -8.0978 -8.0978 -8.0615 -8.0615 -1.5886 -1.5886 0.6523 0.6523 1.4075 1.4075 1.4997 1.4997 1.5123 1.5123 1.6486 1.6486 1.8139 1.8139 1.8842 1.8842 1.9374 1.9374 1.9756 1.9756 2.0328 2.0328 2.9622 2.9622 3.9230 3.9230 5.4642 5.4642 6.9847 6.9847 7.3447 7.3447 7.4672 7.4672 11.5887 11.5887 11.6101 11.6101 11.6537 11.6537 12.3035 12.3035 k = 0.0000 0.0000 0.3896 ( 3501 PWs) bands (ev): -26.3550 -26.3550 -9.2111 -9.2111 -8.0985 -8.0985 -8.0649 -8.0649 -1.5478 -1.5478 0.6561 0.6561 1.4059 1.4059 1.5042 1.5042 1.5169 1.5169 1.6504 1.6504 1.8139 1.8139 1.8845 1.8845 1.9304 1.9304 1.9737 1.9737 2.0256 2.0256 2.9563 2.9563 3.9184 3.9184 5.3824 5.3824 6.9828 6.9828 7.2774 7.2774 7.4036 7.4036 11.7171 11.7171 11.7623 11.7623 11.7982 11.7982 12.3009 12.3009 k = 0.0000 0.0000 0.4090 ( 3489 PWs) bands (ev): -26.3547 -26.3547 -9.2127 -9.2127 -8.0993 -8.0993 -8.0682 -8.0682 -1.5061 -1.5061 0.6602 0.6602 1.4042 1.4042 1.5086 1.5086 1.5212 1.5212 1.6524 1.6524 1.8144 1.8144 1.8848 1.8848 1.9231 1.9231 1.9721 1.9721 2.0189 2.0189 2.9498 2.9498 3.9124 3.9124 5.3035 5.3035 6.9814 6.9814 7.2147 7.2147 7.3424 7.3424 11.7986 11.7986 11.9112 11.9112 11.9951 11.9951 12.2321 12.2321 k = 0.0000 0.0000 0.4285 ( 3495 PWs) bands (ev): -26.3545 -26.3545 -9.2142 -9.2142 -8.1001 -8.1001 -8.0715 -8.0715 -1.4639 -1.4639 0.6642 0.6642 1.4025 1.4025 1.5128 1.5128 1.5251 1.5251 1.6545 1.6545 1.8152 1.8152 1.8852 1.8852 1.9155 1.9155 1.9707 1.9707 2.0128 2.0128 2.9426 2.9426 3.9052 3.9052 5.2275 5.2275 6.9804 6.9804 7.1563 7.1563 7.2835 7.2835 11.8733 11.8733 12.0575 12.0575 12.0646 12.0646 12.1934 12.1934 k = 0.0000 0.0000 0.4480 ( 3493 PWs) bands (ev): -26.3542 -26.3542 -9.2157 -9.2157 -8.1009 -8.1009 -8.0748 -8.0748 -1.4213 -1.4213 0.6684 0.6684 1.4009 1.4009 1.5168 1.5168 1.5287 1.5287 1.6567 1.6567 1.8163 1.8163 1.8857 1.8857 1.9078 1.9078 1.9697 1.9697 2.0074 2.0074 2.9345 2.9345 3.8968 3.8968 5.1545 5.1545 6.9799 6.9799 7.1021 7.1021 7.2269 7.2269 11.8798 11.8798 11.9489 11.9489 12.2134 12.2134 12.2857 12.2857 k = 0.0000 0.0000 0.4675 ( 3484 PWs) bands (ev): -26.3539 -26.3539 -9.2172 -9.2172 -8.1017 -8.1017 -8.0780 -8.0780 -1.3786 -1.3786 0.6726 0.6726 1.3995 1.3995 1.5203 1.5203 1.5324 1.5324 1.6589 1.6589 1.8176 1.8176 1.8863 1.8863 1.9004 1.9004 1.9689 1.9689 2.0027 2.0027 2.9258 2.9258 3.8875 3.8875 5.0845 5.0845 6.9793 6.9793 7.0523 7.0523 7.1725 7.1725 11.7198 11.7198 11.9958 11.9958 12.2608 12.2608 12.3775 12.3775 k = 0.0000 0.0000 0.4870 ( 3480 PWs) bands (ev): -26.3537 -26.3537 -9.2187 -9.2187 -8.1025 -8.1025 -8.0811 -8.0811 -1.3359 -1.3359 0.6769 0.6769 1.3981 1.3981 1.5229 1.5229 1.5364 1.5364 1.6611 1.6611 1.8187 1.8187 1.8861 1.8861 1.8943 1.8943 1.9683 1.9683 1.9988 1.9988 2.9163 2.9163 3.8774 3.8774 5.0175 5.0175 6.9752 6.9752 7.0095 7.0095 7.1205 7.1205 11.5645 11.5645 12.0129 12.0129 12.2439 12.2439 12.5264 12.5264 k = 0.0000 0.0000 0.5064 ( 3484 PWs) bands (ev): -26.3534 -26.3534 -9.2202 -9.2202 -8.1034 -8.1034 -8.0841 -8.0841 -1.2934 -1.2934 0.6811 0.6811 1.3968 1.3968 1.5244 1.5244 1.5409 1.5409 1.6631 1.6631 1.8194 1.8194 1.8829 1.8829 1.8923 1.8923 1.9679 1.9679 1.9956 1.9956 2.9060 2.9060 3.8668 3.8668 4.9535 4.9535 6.9485 6.9485 6.9918 6.9918 7.0712 7.0712 11.4183 11.4183 11.9801 11.9801 12.2233 12.2233 12.6239 12.6239 k = 0.0000 0.0000 0.5259 ( 3476 PWs) bands (ev): -26.3532 -26.3532 -9.2217 -9.2217 -8.1042 -8.1042 -8.0870 -8.0870 -1.2514 -1.2514 0.6854 0.6854 1.3958 1.3958 1.5250 1.5250 1.5459 1.5459 1.6649 1.6649 1.8197 1.8197 1.8775 1.8775 1.8937 1.8937 1.9678 1.9678 1.9933 1.9933 2.8950 2.8950 3.8561 3.8561 4.8925 4.8925 6.9070 6.9070 6.9880 6.9880 7.0274 7.0274 11.2822 11.2822 11.9002 11.9002 12.2014 12.2014 12.6703 12.6703 k = 0.0000 0.0000 0.5454 ( 3472 PWs) bands (ev): -26.3529 -26.3529 -9.2231 -9.2231 -8.1051 -8.1051 -8.0897 -8.0897 -1.2101 -1.2101 0.6896 0.6896 1.3951 1.3951 1.5246 1.5246 1.5514 1.5514 1.6665 1.6665 1.8192 1.8192 1.8723 1.8723 1.8963 1.8963 1.9680 1.9680 1.9917 1.9917 2.8833 2.8833 3.8456 3.8456 4.8345 4.8345 6.8637 6.8637 6.9656 6.9656 7.0075 7.0075 11.1572 11.1572 11.7916 11.7916 12.1779 12.1779 12.7445 12.7445 k = 0.0000 0.0000 0.5649 ( 3484 PWs) bands (ev): -26.3526 -26.3526 -9.2245 -9.2245 -8.1061 -8.1061 -8.0922 -8.0922 -1.1697 -1.1697 0.6938 0.6938 1.3946 1.3946 1.5233 1.5233 1.5571 1.5571 1.6678 1.6678 1.8181 1.8181 1.8678 1.8678 1.8997 1.8997 1.9683 1.9683 1.9908 1.9908 2.8710 2.8710 3.8356 3.8356 4.7794 4.7794 6.8194 6.8194 6.9252 6.9252 7.0093 7.0093 11.0441 11.0441 11.6691 11.6691 12.1529 12.1529 12.8384 12.8384 k = 0.0000 0.0000 0.5844 ( 3480 PWs) bands (ev): -26.3524 -26.3524 -9.2258 -9.2258 -8.1071 -8.1071 -8.0946 -8.0946 -1.1304 -1.1304 0.6979 0.6979 1.3944 1.3944 1.5212 1.5212 1.5633 1.5633 1.6691 1.6691 1.8165 1.8165 1.8639 1.8639 1.9038 1.9038 1.9689 1.9689 1.9907 1.9907 2.8580 2.8580 3.8267 3.8267 4.7272 4.7272 6.7736 6.7736 6.8837 6.8837 7.0156 7.0156 10.9435 10.9435 11.5410 11.5410 12.1265 12.1265 12.9444 12.9444 k = 0.0000 0.0000 0.6038 ( 3472 PWs) bands (ev): -26.3521 -26.3521 -9.2271 -9.2271 -8.1083 -8.1083 -8.0966 -8.0966 -1.0924 -1.0924 0.7020 0.7020 1.3945 1.3945 1.5183 1.5183 1.5696 1.5696 1.6703 1.6703 1.8145 1.8145 1.8606 1.8606 1.9085 1.9085 1.9698 1.9698 1.9912 1.9912 2.8446 2.8446 3.8191 3.8191 4.6780 4.6780 6.7254 6.7254 6.8437 6.8437 7.0239 7.0239 10.8563 10.8563 11.4113 11.4113 12.0992 12.0992 13.0588 13.0588 k = 0.0000 0.0000 0.6233 ( 3482 PWs) bands (ev): -26.3519 -26.3519 -9.2284 -9.2284 -8.1096 -8.1096 -8.0984 -8.0984 -1.0559 -1.0559 0.7059 0.7059 1.3948 1.3948 1.5145 1.5145 1.5762 1.5762 1.6717 1.6717 1.8124 1.8124 1.8576 1.8576 1.9136 1.9136 1.9708 1.9708 1.9923 1.9923 2.8306 2.8306 3.8133 3.8133 4.6315 4.6315 6.6742 6.6742 6.8054 6.8054 7.0337 7.0337 10.7827 10.7827 11.2824 11.2824 12.0712 12.0712 13.1792 13.1792 k = 0.0000 0.0000 0.6428 ( 3482 PWs) bands (ev): -26.3516 -26.3516 -9.2296 -9.2296 -8.1110 -8.1110 -8.0999 -8.0999 -1.0210 -1.0210 0.7097 0.7097 1.3955 1.3955 1.5100 1.5100 1.5829 1.5829 1.6734 1.6734 1.8103 1.8103 1.8550 1.8550 1.9191 1.9191 1.9722 1.9722 1.9940 1.9940 2.8162 2.8162 3.8097 3.8097 4.5878 4.5878 6.6193 6.6193 6.7691 6.7691 7.0449 7.0449 10.7233 10.7233 11.1556 11.1556 12.0428 12.0428 13.3045 13.3045 k = 0.0000 0.0000 0.6623 ( 3478 PWs) bands (ev): -26.3514 -26.3514 -9.2307 -9.2307 -8.1125 -8.1125 -8.1011 -8.1011 -0.9878 -0.9878 0.7134 0.7134 1.3964 1.3964 1.5047 1.5047 1.5898 1.5898 1.6755 1.6755 1.8084 1.8084 1.8525 1.8525 1.9247 1.9247 1.9738 1.9738 1.9962 1.9962 2.8015 2.8015 3.8086 3.8086 4.5469 4.5469 6.5604 6.5604 6.7347 6.7347 7.0574 7.0574 10.6781 10.6781 11.0318 11.0318 12.0140 12.0140 13.4336 13.4336 k = 0.0000 0.0000 0.6817 ( 3474 PWs) bands (ev): -26.3512 -26.3512 -9.2318 -9.2318 -8.1141 -8.1141 -8.1021 -8.1021 -0.9565 -0.9565 0.7169 0.7169 1.3975 1.3975 1.4986 1.4986 1.5967 1.5967 1.6783 1.6783 1.8066 1.8066 1.8500 1.8500 1.9303 1.9303 1.9756 1.9756 1.9988 1.9988 2.7865 2.7865 3.8103 3.8103 4.5086 4.5086 6.4974 6.4974 6.7024 6.7024 7.0711 7.0711 10.6470 10.6470 10.9117 10.9117 11.9851 11.9851 13.5661 13.5661 k = 0.0000 0.0000 0.7012 ( 3478 PWs) bands (ev): -26.3510 -26.3510 -9.2329 -9.2329 -8.1157 -8.1157 -8.1029 -8.1029 -0.9273 -0.9273 0.7202 0.7202 1.3989 1.3989 1.4919 1.4919 1.6037 1.6037 1.6816 1.6816 1.8050 1.8050 1.8476 1.8476 1.9360 1.9360 1.9776 1.9776 2.0016 2.0016 2.7714 2.7714 3.8152 3.8152 4.4730 4.4730 6.4302 6.4302 6.6720 6.6720 7.0858 7.0858 10.6298 10.6298 10.7959 10.7959 11.9560 11.9560 13.7012 13.7012 k = 0.0000 0.0000 0.7207 ( 3490 PWs) bands (ev): -26.3508 -26.3508 -9.2338 -9.2338 -8.1173 -8.1173 -8.1036 -8.1036 -0.9001 -0.9001 0.7233 0.7233 1.4004 1.4004 1.4848 1.4848 1.6107 1.6107 1.6858 1.6858 1.8034 1.8034 1.8452 1.8452 1.9416 1.9416 1.9797 1.9797 2.0045 2.0045 2.7563 2.7563 3.8233 3.8233 4.4400 4.4400 6.3593 6.3593 6.6435 6.6435 7.1015 7.1015 10.6258 10.6258 10.6847 10.6847 11.9268 11.9268 13.8380 13.8380 k = 0.0000 0.0000 0.7402 ( 3490 PWs) bands (ev): -26.3506 -26.3506 -9.2348 -9.2348 -8.1189 -8.1189 -8.1041 -8.1041 -0.8750 -0.8750 0.7263 0.7263 1.4020 1.4020 1.4774 1.4774 1.6176 1.6176 1.6906 1.6906 1.8020 1.8020 1.8428 1.8428 1.9471 1.9471 1.9821 1.9821 2.0074 2.0074 2.7413 2.7413 3.8349 3.8349 4.4095 4.4095 6.2850 6.2850 6.6170 6.6170 7.1179 7.1179 10.5784 10.5784 10.6346 10.6346 11.8975 11.8975 13.9663 13.9663 k = 0.0000 0.0000 0.7597 ( 3492 PWs) bands (ev): -26.3504 -26.3504 -9.2356 -9.2356 -8.1204 -8.1204 -8.1046 -8.1046 -0.8520 -0.8520 0.7291 0.7291 1.4036 1.4036 1.4698 1.4698 1.6244 1.6244 1.6962 1.6962 1.8007 1.8007 1.8404 1.8404 1.9524 1.9524 1.9845 1.9845 2.0103 2.0103 2.7265 2.7265 3.8499 3.8499 4.3815 4.3815 6.2080 6.2080 6.5924 6.5924 7.1349 7.1349 10.4778 10.4778 10.6551 10.6551 11.8678 11.8678 13.9979 13.9979 k = 0.0000 0.0000 0.7791 ( 3496 PWs) bands (ev): -26.3502 -26.3502 -9.2364 -9.2364 -8.1218 -8.1218 -8.1049 -8.1049 -0.8311 -0.8311 0.7316 0.7316 1.4053 1.4053 1.4622 1.4622 1.6310 1.6310 1.7023 1.7023 1.7995 1.7995 1.8378 1.8378 1.9577 1.9577 1.9870 1.9870 2.0129 2.0129 2.7121 2.7121 3.8684 3.8684 4.3559 4.3559 6.1292 6.1292 6.5698 6.5698 7.1523 7.1523 10.3830 10.3830 10.6862 10.6862 11.8378 11.8378 14.0026 14.0026 k = 0.0000 0.0000 0.7986 ( 3500 PWs) bands (ev): -26.3501 -26.3501 -9.2371 -9.2371 -8.1231 -8.1231 -8.1052 -8.1052 -0.8124 -0.8124 0.7340 0.7340 1.4070 1.4070 1.4547 1.4547 1.6373 1.6373 1.7089 1.7089 1.7984 1.7984 1.8352 1.8352 1.9629 1.9629 1.9895 1.9895 2.0153 2.0153 2.6983 2.6983 3.8900 3.8900 4.3327 4.3327 6.0496 6.0496 6.5491 6.5491 7.1698 7.1698 10.2944 10.2944 10.7269 10.7269 11.8072 11.8072 14.0037 14.0037 k = 0.0000 0.0000 0.8181 ( 3504 PWs) bands (ev): -26.3499 -26.3499 -9.2378 -9.2378 -8.1243 -8.1243 -8.1055 -8.1055 -0.7957 -0.7957 0.7361 0.7361 1.4085 1.4085 1.4475 1.4475 1.6432 1.6432 1.7159 1.7159 1.7974 1.7974 1.8324 1.8324 1.9679 1.9679 1.9920 1.9920 2.0171 2.0171 2.6851 2.6851 3.9144 3.9144 4.3118 4.3118 5.9703 5.9703 6.5304 6.5304 7.1871 7.1871 10.2124 10.2124 10.7759 10.7759 11.7756 11.7756 14.0030 14.0030 k = 0.0000 0.0000 0.8376 ( 3500 PWs) bands (ev): -26.3498 -26.3498 -9.2383 -9.2383 -8.1254 -8.1254 -8.1057 -8.1057 -0.7810 -0.7810 0.7381 0.7381 1.4101 1.4101 1.4408 1.4408 1.6488 1.6488 1.7231 1.7231 1.7965 1.7965 1.8294 1.8294 1.9729 1.9729 1.9945 1.9945 2.0186 2.0186 2.6728 2.6728 3.9411 3.9411 4.2932 4.2932 5.8925 5.8925 6.5136 6.5136 7.2039 7.2039 10.1375 10.1375 10.8318 10.8318 11.7428 11.7428 14.0013 14.0013 k = 0.0000 0.0000 0.8571 ( 3500 PWs) bands (ev): -26.3497 -26.3497 -9.2388 -9.2388 -8.1264 -8.1264 -8.1059 -8.1059 -0.7682 -0.7682 0.7398 0.7398 1.4115 1.4115 1.4345 1.4345 1.6538 1.6538 1.7303 1.7303 1.7957 1.7957 1.8263 1.8263 1.9777 1.9777 1.9968 1.9968 2.0194 2.0194 2.6614 2.6614 3.9694 3.9694 4.2769 4.2769 5.8177 5.8177 6.4988 6.4988 7.2199 7.2199 10.0701 10.0701 10.8933 10.8933 11.7083 11.7083 13.9990 13.9990 k = 0.0000 0.0000 0.8765 ( 3500 PWs) bands (ev): -26.3496 -26.3496 -9.2393 -9.2393 -8.1272 -8.1272 -8.1060 -8.1060 -0.7573 -0.7573 0.7413 0.7413 1.4127 1.4127 1.4290 1.4290 1.6584 1.6584 1.7375 1.7375 1.7951 1.7951 1.8229 1.8229 1.9824 1.9824 1.9989 1.9989 2.0197 2.0197 2.6512 2.6512 3.9983 3.9983 4.2628 4.2628 5.7473 5.7473 6.4860 6.4860 7.2347 7.2347 10.0106 10.0106 10.9589 10.9589 11.6717 11.6717 13.9964 13.9964 k = 0.0000 0.0000 0.8960 ( 3496 PWs) bands (ev): -26.3495 -26.3495 -9.2397 -9.2397 -8.1279 -8.1279 -8.1061 -8.1061 -0.7483 -0.7483 0.7425 0.7425 1.4137 1.4137 1.4242 1.4242 1.6624 1.6624 1.7444 1.7444 1.7947 1.7947 1.8194 1.8194 1.9869 1.9869 2.0008 2.0008 2.0195 2.0195 2.6422 2.6422 4.0266 4.0266 4.2509 4.2509 5.6831 5.6831 6.4751 6.4751 7.2481 7.2481 9.9594 9.9594 11.0272 11.0272 11.6325 11.6325 13.9937 13.9937 k = 0.0000 0.0000 0.9155 ( 3508 PWs) bands (ev): -26.3494 -26.3494 -9.2400 -9.2400 -8.1285 -8.1285 -8.1062 -8.1062 -0.7410 -0.7410 0.7435 0.7435 1.4145 1.4145 1.4201 1.4201 1.6656 1.6656 1.7508 1.7508 1.7946 1.7946 1.8156 1.8156 1.9912 1.9912 2.0024 2.0024 2.0188 2.0188 2.6347 2.6347 4.0530 4.0530 4.2411 4.2411 5.6268 5.6268 6.4662 6.4662 7.2595 7.2595 9.9169 9.9169 11.0965 11.0965 11.5903 11.5903 13.9910 13.9910 k = 0.0000 0.0000 0.9350 ( 3510 PWs) bands (ev): -26.3494 -26.3494 -9.2402 -9.2402 -8.1290 -8.1290 -8.1062 -8.1062 -0.7354 -0.7354 0.7443 0.7443 1.4147 1.4147 1.4174 1.4174 1.6683 1.6683 1.7564 1.7564 1.7948 1.7948 1.8118 1.8118 1.9951 1.9951 2.0036 2.0036 2.0176 2.0176 2.6287 2.6287 4.0760 4.0760 4.2334 4.2334 5.5803 5.5803 6.4592 6.4592 7.2688 7.2688 9.8834 9.8834 11.1652 11.1652 11.5450 11.5450 13.9884 13.9884 k = 0.0000 0.0000 0.9544 ( 3510 PWs) bands (ev): -26.3493 -26.3493 -9.2404 -9.2404 -8.1293 -8.1293 -8.1063 -8.1063 -0.7314 -0.7314 0.7449 0.7449 1.4136 1.4136 1.4167 1.4167 1.6702 1.6702 1.7610 1.7610 1.7956 1.7956 1.8081 1.8081 1.9987 1.9987 2.0044 2.0044 2.0162 2.0162 2.6244 2.6244 4.0938 4.0938 4.2279 4.2279 5.5455 5.5455 6.4543 6.4543 7.2756 7.2756 9.8593 9.8593 11.2311 11.2311 11.4971 11.4971 13.9859 13.9859 k = 0.0000 0.0000 0.9739 ( 3508 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1063 -8.1063 -0.7290 -0.7290 0.7452 0.7452 1.4124 1.4124 1.4168 1.4168 1.6713 1.6713 1.7639 1.7639 1.7968 1.7968 1.8049 1.8049 2.0016 2.0016 2.0045 2.0045 2.0150 2.0150 2.6217 2.6217 4.1053 4.1053 4.2246 4.2246 5.5239 5.5239 6.4513 6.4513 7.2798 7.2798 9.8447 9.8447 11.2897 11.2897 11.4499 11.4499 13.9838 13.9838 k = 0.0000 0.0000 0.9934 ( 3504 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1063 -8.1063 -0.7282 -0.7282 0.7453 0.7453 1.4120 1.4120 1.4168 1.4168 1.6717 1.6717 1.7650 1.7650 1.7976 1.7976 1.8034 1.8034 2.0035 2.0035 2.0037 2.0037 2.0144 2.0144 2.6209 2.6209 4.1092 4.1092 4.2235 4.2235 5.5166 5.5166 6.4503 6.4503 7.2812 7.2812 9.8398 9.8398 11.3205 11.3205 11.4230 11.4230 13.9830 13.9830 k = 0.0000 0.0000 0.9934 ( 3504 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1063 -8.1063 -0.7282 -0.7282 0.7453 0.7453 1.4120 1.4120 1.4168 1.4168 1.6717 1.6717 1.7650 1.7650 1.7976 1.7976 1.8034 1.8034 2.0035 2.0035 2.0037 2.0037 2.0144 2.0144 2.6209 2.6209 4.1092 4.1092 4.2235 4.2235 5.5166 5.5166 6.4503 6.4503 7.2812 7.2812 9.8398 9.8398 11.3205 11.3205 11.4230 11.4230 13.9830 13.9830 k =-0.0094 0.0162 0.9934 ( 3508 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1063 -8.1063 -0.7279 -0.7279 0.7437 0.7437 1.4121 1.4121 1.4172 1.4172 1.6715 1.6715 1.7647 1.7647 1.7973 1.7973 1.8039 1.8039 2.0027 2.0027 2.0041 2.0041 2.0149 2.0149 2.6157 2.6157 4.1100 4.1100 4.2324 4.2324 5.5152 5.5152 6.4510 6.4510 7.2828 7.2828 9.8395 9.8395 11.3205 11.3205 11.4260 11.4260 13.9854 13.9854 k =-0.0188 0.0324 0.9934 ( 3508 PWs) bands (ev): -26.3493 -26.3493 -9.2404 -9.2404 -8.1293 -8.1293 -8.1064 -8.1064 -0.7271 -0.7271 0.7390 0.7390 1.4122 1.4122 1.4184 1.4184 1.6708 1.6708 1.7640 1.7640 1.7966 1.7966 1.8051 1.8051 2.0014 2.0014 2.0042 2.0042 2.0162 2.0162 2.6005 2.6005 4.1125 4.1125 4.2588 4.2588 5.5112 5.5112 6.4531 6.4531 7.2876 7.2876 9.8386 9.8386 11.3202 11.3202 11.4348 11.4348 13.9907 13.9907 k =-0.0283 0.0485 0.9934 ( 3496 PWs) bands (ev): -26.3494 -26.3494 -9.2403 -9.2403 -8.1289 -8.1289 -8.1064 -8.1064 -0.7257 -0.7257 0.7311 0.7311 1.4125 1.4125 1.4204 1.4204 1.6696 1.6696 1.7630 1.7630 1.7959 1.7959 1.8068 1.8068 1.9997 1.9997 2.0041 2.0041 2.0182 2.0182 2.5765 2.5765 4.1166 4.1166 4.3015 4.3015 5.5043 5.5043 6.4569 6.4569 7.2957 7.2957 9.8371 9.8371 11.3199 11.3199 11.4491 11.4491 13.9883 13.9883 k =-0.0377 0.0647 0.9934 ( 3496 PWs) bands (ev): -26.3494 -26.3494 -9.2401 -9.2401 -8.1285 -8.1285 -8.1065 -8.1065 -0.7238 -0.7238 0.7200 0.7200 1.4129 1.4129 1.4230 1.4230 1.6680 1.6680 1.7613 1.7613 1.7954 1.7954 1.8086 1.8086 1.9978 1.9978 2.0039 2.0039 2.0206 2.0206 2.5452 2.5452 4.1225 4.1225 4.3589 4.3589 5.4948 5.4948 6.4625 6.4625 7.3069 7.3069 9.8352 9.8352 11.3194 11.3194 11.4681 11.4681 13.9684 13.9684 k =-0.0471 0.0809 0.9934 ( 3496 PWs) bands (ev): -26.3495 -26.3495 -9.2398 -9.2398 -8.1279 -8.1279 -8.1066 -8.1066 -0.7214 -0.7214 0.7057 0.7057 1.4135 1.4135 1.4263 1.4263 1.6660 1.6660 1.7591 1.7591 1.7952 1.7952 1.8104 1.8104 1.9957 1.9957 2.0035 2.0035 2.0234 2.0234 2.5084 2.5084 4.1300 4.1300 4.4294 4.4294 5.4825 5.4825 6.4704 6.4704 7.3213 7.3213 9.8330 9.8330 11.3190 11.3190 11.4907 11.4907 13.9391 13.9391 k =-0.0565 0.0971 0.9934 ( 3496 PWs) bands (ev): -26.3496 -26.3496 -9.2395 -9.2395 -8.1272 -8.1272 -8.1067 -8.1067 -0.7186 -0.7186 0.6884 0.6884 1.4141 1.4141 1.4302 1.4302 1.6638 1.6638 1.7563 1.7563 1.7954 1.7954 1.8123 1.8123 1.9934 1.9934 2.0031 2.0031 2.0264 2.0264 2.4677 2.4677 4.1392 4.1392 4.5110 4.5110 5.4675 5.4675 6.4807 6.4807 7.3389 7.3389 9.8305 9.8305 11.3185 11.3185 11.5158 11.5158 13.9060 13.9060 k =-0.0660 0.1133 0.9934 ( 3506 PWs) bands (ev): -26.3497 -26.3497 -9.2392 -9.2392 -8.1263 -8.1263 -8.1069 -8.1069 -0.7154 -0.7154 0.6679 0.6679 1.4148 1.4148 1.4346 1.4346 1.6612 1.6612 1.7530 1.7530 1.7958 1.7958 1.8142 1.8142 1.9909 1.9909 2.0026 2.0026 2.0297 2.0297 2.4248 2.4248 4.1501 4.1501 4.6022 4.6022 5.4499 5.4499 6.4940 6.4940 7.3596 7.3596 9.8281 9.8281 11.3182 11.3182 11.5418 11.5418 13.8728 13.8728 k =-0.0754 0.1294 0.9934 ( 3510 PWs) bands (ev): -26.3498 -26.3498 -9.2388 -9.2388 -8.1253 -8.1253 -8.1070 -8.1070 -0.7120 -0.7120 0.6445 0.6445 1.4156 1.4156 1.4396 1.4396 1.6585 1.6585 1.7493 1.7493 1.7965 1.7965 1.8162 1.8162 1.9883 1.9883 2.0020 2.0020 2.0332 2.0332 2.3808 2.3808 4.1628 4.1628 4.7017 4.7017 5.4300 5.4300 6.5105 6.5105 7.3834 7.3834 9.8258 9.8258 11.3180 11.3180 11.5669 11.5669 13.8424 13.8424 k =-0.0848 0.1456 0.9934 ( 3510 PWs) bands (ev): -26.3499 -26.3499 -9.2383 -9.2383 -8.1242 -8.1242 -8.1072 -8.1072 -0.7083 -0.7083 0.6181 0.6181 1.4164 1.4164 1.4450 1.4450 1.6556 1.6556 1.7450 1.7450 1.7974 1.7974 1.8181 1.8181 1.9856 1.9856 2.0014 2.0014 2.0368 2.0368 2.3370 2.3370 4.1773 4.1773 4.8082 4.8082 5.4081 5.4081 6.5305 6.5305 7.4104 7.4104 9.8240 9.8240 11.3181 11.3181 11.5892 11.5892 13.8179 13.8179 k =-0.0848 0.1456 0.9934 ( 3510 PWs) bands (ev): -26.3499 -26.3499 -9.2383 -9.2383 -8.1242 -8.1242 -8.1072 -8.1072 -0.7083 -0.7083 0.6181 0.6181 1.4164 1.4164 1.4450 1.4450 1.6556 1.6556 1.7450 1.7450 1.7974 1.7974 1.8181 1.8181 1.9856 1.9856 2.0014 2.0014 2.0368 2.0368 2.3370 2.3370 4.1773 4.1773 4.8082 4.8082 5.4081 5.4081 6.5305 6.5305 7.4104 7.4104 9.8240 9.8240 11.3181 11.3181 11.5892 11.5892 13.8179 13.8179 k =-0.0917 0.1575 0.9797 ( 3514 PWs) bands (ev): -26.3500 -26.3500 -9.2379 -9.2379 -8.1234 -8.1234 -8.1072 -8.1072 -0.7058 -0.7058 0.5969 0.5969 1.4173 1.4173 1.4490 1.4490 1.6534 1.6534 1.7412 1.7412 1.7983 1.7983 1.8197 1.8197 1.9833 1.9833 2.0007 2.0007 2.0395 2.0395 2.3059 2.3059 4.1862 4.1862 4.8905 4.8905 5.3955 5.3955 6.5477 6.5477 7.4316 7.4316 9.8254 9.8254 11.3126 11.3126 11.6062 11.6062 13.8071 13.8071 k =-0.0987 0.1694 0.9659 ( 3514 PWs) bands (ev): -26.3501 -26.3501 -9.2375 -9.2375 -8.1226 -8.1226 -8.1070 -8.1070 -0.7039 -0.7039 0.5744 0.5744 1.4186 1.4186 1.4532 1.4532 1.6509 1.6509 1.7366 1.7366 1.7992 1.7992 1.8216 1.8216 1.9807 1.9807 1.9999 1.9999 2.0422 2.0422 2.2764 2.2764 4.1895 4.1895 4.9761 4.9761 5.3923 5.3923 6.5672 6.5672 7.4535 7.4535 9.8321 9.8321 11.2981 11.2981 11.6245 11.6245 13.8053 13.8053 k =-0.1056 0.1813 0.9522 ( 3506 PWs) bands (ev): -26.3502 -26.3502 -9.2370 -9.2370 -8.1222 -8.1222 -8.1064 -8.1064 -0.7025 -0.7025 0.5508 0.5508 1.4203 1.4203 1.4573 1.4573 1.6483 1.6483 1.7313 1.7313 1.8003 1.8003 1.8237 1.8237 1.9778 1.9778 1.9987 1.9987 2.0447 2.0447 2.2487 2.2487 4.1869 4.1869 5.0643 5.0643 5.3989 5.3989 6.5889 6.5889 7.4763 7.4763 9.8442 9.8442 11.2775 11.2775 11.6405 11.6405 13.8118 13.8118 k =-0.1125 0.1931 0.9384 ( 3497 PWs) bands (ev): -26.3503 -26.3503 -9.2365 -9.2365 -8.1220 -8.1220 -8.1054 -8.1054 -0.7016 -0.7016 0.5261 0.5261 1.4224 1.4224 1.4615 1.4615 1.6456 1.6456 1.7254 1.7254 1.8015 1.8015 1.8259 1.8259 1.9747 1.9747 1.9972 1.9972 2.0470 2.0470 2.2229 2.2229 4.1780 4.1780 5.1545 5.1545 5.4159 5.4159 6.6126 6.6126 7.5004 7.5004 9.8616 9.8616 11.2529 11.2529 11.6518 11.6518 13.8232 13.8232 k =-0.1194 0.2050 0.9247 ( 3493 PWs) bands (ev): -26.3505 -26.3505 -9.2359 -9.2359 -8.1222 -8.1222 -8.1040 -8.1040 -0.7012 -0.7012 0.5006 0.5006 1.4249 1.4249 1.4656 1.4656 1.6429 1.6429 1.7191 1.7191 1.8027 1.8027 1.8283 1.8283 1.9713 1.9713 1.9955 1.9955 2.0491 2.0491 2.1991 2.1991 4.1629 4.1629 5.2462 5.2462 5.4431 5.4431 6.6380 6.6380 7.5261 7.5261 9.8843 9.8843 11.2257 11.2257 11.6571 11.6571 13.8253 13.8253 k =-0.1263 0.2169 0.9109 ( 3491 PWs) bands (ev): -26.3506 -26.3506 -9.2354 -9.2354 -8.1227 -8.1227 -8.1021 -8.1021 -0.7012 -0.7012 0.4745 0.4745 1.4277 1.4277 1.4697 1.4697 1.6402 1.6402 1.7125 1.7125 1.8040 1.8040 1.8307 1.8307 1.9677 1.9677 1.9934 1.9934 2.0509 2.0509 2.1772 2.1772 4.1421 4.1421 5.3386 5.3386 5.4803 5.4803 6.6651 6.6651 7.5539 7.5539 9.9123 9.9123 11.1965 11.1965 11.6561 11.6561 13.7725 13.7725 k =-0.1333 0.2288 0.8972 ( 3498 PWs) bands (ev): -26.3508 -26.3508 -9.2348 -9.2348 -8.1234 -8.1234 -8.0998 -8.0998 -0.7016 -0.7016 0.4479 0.4479 1.4307 1.4307 1.4736 1.4736 1.6375 1.6375 1.7057 1.7057 1.8052 1.8052 1.8332 1.8332 1.9640 1.9640 1.9910 1.9910 2.0524 2.0524 2.1573 2.1573 4.1163 4.1163 5.4310 5.4310 5.5269 5.5269 6.6935 6.6935 7.5844 7.5844 9.9455 9.9455 11.1660 11.1660 11.6486 11.6486 13.6694 13.6694 k =-0.1402 0.2407 0.8834 ( 3490 PWs) bands (ev): -26.3510 -26.3510 -9.2342 -9.2342 -8.1244 -8.1244 -8.0973 -8.0973 -0.7024 -0.7024 0.4210 0.4210 1.4341 1.4341 1.4775 1.4775 1.6348 1.6348 1.6989 1.6989 1.8066 1.8066 1.8358 1.8358 1.9602 1.9602 1.9884 1.9884 2.0536 2.0536 2.1394 2.1394 4.0863 4.0863 5.5226 5.5226 5.5821 5.5821 6.7231 6.7231 7.6183 7.6183 9.9838 9.9838 11.1345 11.1345 11.6352 11.6352 13.5509 13.5509 k =-0.1471 0.2525 0.8697 ( 3490 PWs) bands (ev): -26.3511 -26.3511 -9.2335 -9.2335 -8.1255 -8.1255 -8.0946 -8.0946 -0.7035 -0.7035 0.3940 0.3940 1.4376 1.4376 1.4812 1.4812 1.6321 1.6321 1.6922 1.6922 1.8079 1.8079 1.8384 1.8384 1.9563 1.9563 1.9855 1.9855 2.0542 2.0542 2.1233 2.1233 4.0530 4.0530 5.6123 5.6123 5.6455 5.6455 6.7535 6.7535 7.6562 7.6562 10.0272 10.0272 11.1022 11.1022 11.6161 11.6161 13.4262 13.4262 k =-0.1540 0.2644 0.8559 ( 3492 PWs) bands (ev): -26.3513 -26.3513 -9.2329 -9.2329 -8.1267 -8.1267 -8.0916 -8.0916 -0.7048 -0.7048 0.3671 0.3671 1.4413 1.4413 1.4848 1.4848 1.6294 1.6294 1.6856 1.6856 1.8093 1.8093 1.8411 1.8411 1.9524 1.9524 1.9823 1.9823 2.0542 2.0542 2.1092 2.1092 4.0171 4.0171 5.6986 5.6986 5.7168 5.7168 6.7847 6.7847 7.6989 7.6989 10.0755 10.0755 11.0692 11.0692 11.5920 11.5920 13.2987 13.2987 k =-0.1609 0.2763 0.8422 ( 3492 PWs) bands (ev): -26.3515 -26.3515 -9.2323 -9.2323 -8.1280 -8.1280 -8.0886 -8.0886 -0.7065 -0.7065 0.3404 0.3404 1.4453 1.4453 1.4882 1.4882 1.6266 1.6266 1.6793 1.6793 1.8108 1.8108 1.8439 1.8439 1.9484 1.9484 1.9789 1.9789 2.0535 2.0535 2.0970 2.0970 3.9795 3.9795 5.7811 5.7811 5.7948 5.7948 6.8163 6.8163 7.7473 7.7473 10.1286 10.1286 11.0355 11.0355 11.5632 11.5632 13.1705 13.1705 k =-0.1679 0.2882 0.8284 ( 3486 PWs) bands (ev): -26.3517 -26.3517 -9.2316 -9.2316 -8.1294 -8.1294 -8.0854 -8.0854 -0.7083 -0.7083 0.3142 0.3142 1.4493 1.4493 1.4916 1.4916 1.6237 1.6237 1.6734 1.6734 1.8122 1.8122 1.8469 1.8469 1.9444 1.9444 1.9754 1.9754 2.0517 2.0517 2.0871 2.0871 3.9408 3.9408 5.8632 5.8632 5.8745 5.8745 6.8480 6.8480 7.8021 7.8021 10.1862 10.1862 11.0008 11.0008 11.5304 11.5304 13.0436 13.0436 k =-0.1748 0.3001 0.8147 ( 3482 PWs) bands (ev): -26.3519 -26.3519 -9.2310 -9.2310 -8.1308 -8.1308 -8.0823 -8.0823 -0.7102 -0.7102 0.2885 0.2885 1.4535 1.4535 1.4949 1.4949 1.6206 1.6206 1.6681 1.6681 1.8138 1.8138 1.8499 1.8499 1.9404 1.9404 1.9718 1.9718 2.0484 2.0484 2.0795 2.0795 3.9016 3.9016 5.9449 5.9449 5.9544 5.9544 6.8797 6.8797 7.8641 7.8641 10.2483 10.2483 10.9647 10.9647 11.4939 11.4939 12.9198 12.9198 k =-0.1817 0.3119 0.8009 ( 3482 PWs) bands (ev): -26.3520 -26.3520 -9.2304 -9.2304 -8.1322 -8.1322 -8.0790 -8.0790 -0.7123 -0.7123 0.2636 0.2636 1.4578 1.4578 1.4981 1.4981 1.6171 1.6171 1.6633 1.6633 1.8153 1.8153 1.8530 1.8530 1.9365 1.9365 1.9680 1.9680 2.0437 2.0437 2.0743 2.0743 3.8625 3.8625 6.0183 6.0183 6.0411 6.0411 6.9111 6.9111 7.9339 7.9339 10.3146 10.3146 10.9267 10.9267 11.4543 11.4543 12.8010 12.8010 k =-0.1886 0.3238 0.7872 ( 3478 PWs) bands (ev): -26.3522 -26.3522 -9.2299 -9.2299 -8.1335 -8.1335 -8.0758 -8.0758 -0.7145 -0.7145 0.2395 0.2395 1.4621 1.4621 1.5011 1.5011 1.6133 1.6133 1.6591 1.6591 1.8168 1.8168 1.8562 1.8562 1.9327 1.9327 1.9643 1.9643 2.0380 2.0380 2.0708 2.0708 3.8239 3.8239 6.0842 6.0842 6.1326 6.1326 6.9419 6.9419 8.0120 8.0120 10.3850 10.3850 10.8860 10.8860 11.4123 11.4123 12.6892 12.6892 k =-0.1955 0.3357 0.7734 ( 3478 PWs) bands (ev): -26.3524 -26.3524 -9.2293 -9.2293 -8.1349 -8.1349 -8.0727 -8.0727 -0.7168 -0.7168 0.2164 0.2164 1.4665 1.4665 1.5042 1.5042 1.6092 1.6092 1.6556 1.6556 1.8184 1.8184 1.8595 1.8595 1.9291 1.9291 1.9606 1.9606 2.0318 2.0318 2.0684 2.0684 3.7861 3.7861 6.1437 6.1437 6.2268 6.2268 6.9719 6.9719 8.0987 8.0987 10.4593 10.4593 10.8413 10.8413 11.3687 11.3687 12.5859 12.5859 k =-0.2025 0.3476 0.7597 ( 3477 PWs) bands (ev): -26.3525 -26.3525 -9.2288 -9.2288 -8.1362 -8.1362 -8.0696 -8.0696 -0.7190 -0.7190 0.1945 0.1945 1.4708 1.4708 1.5072 1.5072 1.6048 1.6048 1.6526 1.6526 1.8199 1.8199 1.8629 1.8629 1.9255 1.9255 1.9570 1.9570 2.0258 2.0258 2.0665 2.0665 3.7497 3.7497 6.1969 6.1969 6.3227 6.3227 7.0010 7.0010 8.1940 8.1940 10.5371 10.5371 10.7916 10.7916 11.3251 11.3251 12.4925 12.4925 k =-0.2094 0.3595 0.7459 ( 3478 PWs) bands (ev): -26.3527 -26.3527 -9.2283 -9.2283 -8.1375 -8.1375 -8.0666 -8.0666 -0.7213 -0.7213 0.1738 0.1738 1.4752 1.4752 1.5101 1.5101 1.6001 1.6001 1.6501 1.6501 1.8215 1.8215 1.8662 1.8662 1.9222 1.9222 1.9536 1.9536 2.0199 2.0199 2.0649 2.0649 3.7147 3.7147 6.2439 6.2439 6.4196 6.4196 7.0289 7.0289 8.2976 8.2976 10.6180 10.6180 10.7362 10.7362 11.2827 11.2827 12.4099 12.4099 k =-0.2163 0.3713 0.7322 ( 3476 PWs) bands (ev): -26.3529 -26.3529 -9.2278 -9.2278 -8.1387 -8.1387 -8.0638 -8.0638 -0.7235 -0.7235 0.1543 0.1543 1.4795 1.4795 1.5130 1.5130 1.5953 1.5953 1.6480 1.6480 1.8229 1.8229 1.8694 1.8694 1.9192 1.9192 1.9504 1.9504 2.0145 2.0145 2.0633 2.0633 3.6817 3.6817 6.2849 6.2849 6.5166 6.5166 7.0554 7.0554 8.4092 8.4092 10.6680 10.6680 10.7078 10.7078 11.2434 11.2434 12.3384 12.3384 k =-0.2232 0.3832 0.7184 ( 3480 PWs) bands (ev): -26.3530 -26.3530 -9.2274 -9.2274 -8.1399 -8.1399 -8.0611 -8.0611 -0.7256 -0.7256 0.1364 0.1364 1.4838 1.4838 1.5158 1.5158 1.5904 1.5904 1.6462 1.6462 1.8244 1.8244 1.8725 1.8725 1.9164 1.9164 1.9475 1.9475 2.0096 2.0096 2.0618 2.0618 3.6507 3.6507 6.3203 6.3203 6.6127 6.6127 7.0806 7.0806 8.5281 8.5281 10.6013 10.6013 10.7923 10.7923 11.2082 11.2082 12.2761 12.2761 k =-0.2301 0.3951 0.7047 ( 3486 PWs) bands (ev): -26.3531 -26.3531 -9.2270 -9.2270 -8.1409 -8.1409 -8.0585 -8.0585 -0.7276 -0.7276 0.1198 0.1198 1.4880 1.4880 1.5185 1.5185 1.5855 1.5855 1.6446 1.6446 1.8257 1.8257 1.8752 1.8752 1.9141 1.9141 1.9450 1.9450 2.0050 2.0050 2.0602 2.0602 3.6219 3.6219 6.3506 6.3506 6.7067 6.7067 7.1043 7.1043 8.6535 8.6535 10.5260 10.5260 10.8819 10.8819 11.1780 11.1780 12.1158 12.1158 k =-0.2371 0.4070 0.6909 ( 3486 PWs) bands (ev): -26.3533 -26.3533 -9.2267 -9.2267 -8.1419 -8.1419 -8.0562 -8.0562 -0.7295 -0.7295 0.1049 0.1049 1.4921 1.4921 1.5211 1.5211 1.5807 1.5807 1.6432 1.6432 1.8270 1.8270 1.8776 1.8776 1.9121 1.9121 1.9429 1.9429 2.0010 2.0010 2.0587 2.0587 3.5957 3.5957 6.3761 6.3761 6.7973 6.7973 7.1266 7.1266 8.7843 8.7843 10.4466 10.4466 10.9732 10.9732 11.1534 11.1534 11.9252 11.9252 k =-0.2440 0.4189 0.6772 ( 3484 PWs) bands (ev): -26.3534 -26.3534 -9.2263 -9.2263 -8.1428 -8.1428 -8.0541 -8.0541 -0.7312 -0.7312 0.0916 0.0916 1.4962 1.4962 1.5235 1.5235 1.5760 1.5760 1.6420 1.6420 1.8282 1.8282 1.8794 1.8794 1.9106 1.9106 1.9412 1.9412 1.9974 1.9974 2.0572 2.0572 3.5722 3.5722 6.3974 6.3974 6.8827 6.8827 7.1477 7.1477 8.9192 8.9192 10.3661 10.3661 11.0623 11.0623 11.1367 11.1367 11.7387 11.7387 k =-0.2509 0.4307 0.6635 ( 3486 PWs) bands (ev): -26.3535 -26.3535 -9.2261 -9.2261 -8.1436 -8.1436 -8.0522 -8.0522 -0.7327 -0.7327 0.0799 0.0799 1.5001 1.5001 1.5257 1.5257 1.5715 1.5715 1.6409 1.6409 1.8293 1.8293 1.8807 1.8807 1.9095 1.9095 1.9400 1.9400 1.9943 1.9943 2.0557 2.0557 3.5514 3.5514 6.4150 6.4150 6.9605 6.9605 7.1682 7.1682 9.0566 9.0566 10.2872 10.2872 11.1038 11.1038 11.1698 11.1698 11.5606 11.5606 k =-0.2578 0.4426 0.6497 ( 3486 PWs) bands (ev): -26.3535 -26.3535 -9.2258 -9.2258 -8.1443 -8.1443 -8.0506 -8.0506 -0.7340 -0.7340 0.0700 0.0700 1.5038 1.5038 1.5277 1.5277 1.5673 1.5673 1.6400 1.6400 1.8303 1.8303 1.8815 1.8815 1.9088 1.9088 1.9392 1.9392 1.9916 1.9916 2.0543 2.0543 3.5337 3.5337 6.4291 6.4291 7.0280 7.0280 7.1891 7.1891 9.1941 9.1941 10.2132 10.2132 11.0951 11.0951 11.2379 11.2379 11.4095 11.4095 k =-0.2647 0.4545 0.6360 ( 3490 PWs) bands (ev): -26.3536 -26.3536 -9.2256 -9.2256 -8.1448 -8.1448 -8.0493 -8.0493 -0.7351 -0.7351 0.0618 0.0618 1.5073 1.5073 1.5294 1.5294 1.5634 1.5634 1.6392 1.6392 1.8311 1.8311 1.8818 1.8818 1.9084 1.9084 1.9388 1.9388 1.9894 1.9894 2.0530 2.0530 3.5189 3.5189 6.4402 6.4402 7.0816 7.0816 7.2120 7.2120 9.3281 9.3281 10.1472 10.1472 11.0835 11.0835 11.1810 11.1810 11.3993 11.3993 k =-0.2717 0.4664 0.6222 ( 3490 PWs) bands (ev): -26.3537 -26.3537 -9.2255 -9.2255 -8.1452 -8.1452 -8.0482 -8.0482 -0.7360 -0.7360 0.0554 0.0554 1.5104 1.5104 1.5306 1.5306 1.5601 1.5601 1.6385 1.6385 1.8318 1.8318 1.8820 1.8820 1.9081 1.9081 1.9386 1.9386 1.9878 1.9878 2.0520 2.0520 3.5074 3.5074 6.4485 6.4485 7.1188 7.1188 7.2371 7.2371 9.4531 9.4531 10.0920 10.0920 11.0321 11.0321 11.0899 11.0899 11.4786 11.4786 k =-0.2786 0.4782 0.6085 ( 3488 PWs) bands (ev): -26.3537 -26.3537 -9.2254 -9.2254 -8.1456 -8.1456 -8.0475 -8.0475 -0.7366 -0.7366 0.0508 0.0508 1.5129 1.5129 1.5315 1.5315 1.5575 1.5575 1.6381 1.6381 1.8323 1.8323 1.8819 1.8819 1.9080 1.9080 1.9387 1.9387 1.9866 1.9866 2.0512 2.0512 3.4991 3.4991 6.4544 6.4544 7.1412 7.1412 7.2610 7.2610 9.5601 9.5601 10.0504 10.0504 10.9176 10.9176 11.0788 11.0788 11.5597 11.5597 k =-0.2855 0.4901 0.5947 ( 3484 PWs) bands (ev): -26.3537 -26.3537 -9.2253 -9.2253 -8.1457 -8.1457 -8.0470 -8.0470 -0.7370 -0.7370 0.0481 0.0481 1.5146 1.5146 1.5321 1.5321 1.5558 1.5558 1.6378 1.6378 1.8326 1.8326 1.8819 1.8819 1.9079 1.9079 1.9388 1.9388 1.9859 1.9859 2.0507 2.0507 3.4941 3.4941 6.4578 6.4578 7.1528 7.1528 7.2780 7.2780 9.6352 9.6352 10.0245 10.0245 10.8342 10.8342 11.0750 11.0750 11.6231 11.6231 k =-0.2924 0.5020 0.5810 ( 3485 PWs) bands (ev): -26.3537 -26.3537 -9.2253 -9.2253 -8.1458 -8.1458 -8.0469 -8.0469 -0.7372 -0.7372 0.0472 0.0472 1.5151 1.5151 1.5323 1.5323 1.5551 1.5551 1.6377 1.6377 1.8327 1.8327 1.8818 1.8818 1.9078 1.9078 1.9388 1.9388 1.9856 1.9856 2.0505 2.0505 3.4924 3.4924 6.4589 6.4589 7.1564 7.1564 7.2841 7.2841 9.6628 9.6628 10.0157 10.0157 10.8037 10.8037 11.0739 11.0739 11.6484 11.6484 k =-0.2924 0.5020 0.5810 ( 3485 PWs) bands (ev): -26.3537 -26.3537 -9.2253 -9.2253 -8.1458 -8.1458 -8.0469 -8.0469 -0.7372 -0.7372 0.0472 0.0472 1.5151 1.5151 1.5323 1.5323 1.5551 1.5551 1.6377 1.6377 1.8327 1.8327 1.8818 1.8818 1.9078 1.9078 1.9388 1.9388 1.9856 1.9856 2.0505 2.0505 3.4924 3.4924 6.4589 6.4589 7.1564 7.1564 7.2841 7.2841 9.6628 9.6628 10.0157 10.0157 10.8037 10.8037 11.0739 11.0739 11.6484 11.6484 k =-0.2856 0.4903 0.5675 ( 3481 PWs) bands (ev): -26.3537 -26.3537 -9.2259 -9.2259 -8.1471 -8.1471 -8.0466 -8.0466 -0.7489 -0.7489 0.0890 0.0890 1.5166 1.5166 1.5362 1.5362 1.5619 1.5619 1.6344 1.6344 1.8385 1.8385 1.8829 1.8829 1.9060 1.9060 1.9321 1.9321 1.9936 1.9936 2.0446 2.0446 3.4709 3.4709 6.3693 6.3693 7.0903 7.0903 7.3112 7.3112 9.5707 9.5707 10.0974 10.0974 10.7577 10.7577 11.1285 11.1285 11.7178 11.7178 k =-0.2788 0.4787 0.5539 ( 3487 PWs) bands (ev): -26.3536 -26.3536 -9.2263 -9.2263 -8.1481 -8.1481 -8.0463 -8.0463 -0.7637 -0.7637 0.1302 0.1302 1.5178 1.5178 1.5393 1.5393 1.5689 1.5689 1.6305 1.6305 1.8433 1.8433 1.8843 1.8843 1.9044 1.9044 1.9257 1.9257 1.9985 1.9985 2.0430 2.0430 3.4581 3.4581 6.2828 6.2828 7.0245 7.0245 7.3403 7.3403 9.4769 9.4769 10.1795 10.1795 10.7125 10.7125 11.1877 11.1877 11.7915 11.7915 k =-0.2720 0.4670 0.5404 ( 3487 PWs) bands (ev): -26.3535 -26.3535 -9.2266 -9.2266 -8.1489 -8.1489 -8.0461 -8.0461 -0.7815 -0.7815 0.1707 0.1707 1.5186 1.5186 1.5417 1.5417 1.5759 1.5759 1.6262 1.6262 1.8472 1.8472 1.8860 1.8860 1.9032 1.9032 1.9195 1.9195 1.9959 1.9959 2.0510 2.0510 3.4535 3.4535 6.1994 6.1994 6.9604 6.9604 7.3707 7.3707 9.3819 9.3819 10.2616 10.2616 10.6687 10.6687 11.2512 11.2512 11.8687 11.8687 k =-0.2652 0.4553 0.5269 ( 3487 PWs) bands (ev): -26.3535 -26.3535 -9.2268 -9.2268 -8.1494 -8.1494 -8.0458 -8.0458 -0.8024 -0.8024 0.2101 0.2101 1.5190 1.5190 1.5436 1.5436 1.5822 1.5822 1.6220 1.6220 1.8499 1.8499 1.8884 1.8884 1.9022 1.9022 1.9138 1.9138 1.9874 1.9874 2.0675 2.0675 3.4564 3.4564 6.1193 6.1193 6.8988 6.8988 7.4021 7.4021 9.2864 9.2864 10.3432 10.3432 10.6267 10.6267 11.3186 11.3186 11.9490 11.9490 k =-0.2584 0.4436 0.5134 ( 3487 PWs) bands (ev): -26.3535 -26.3535 -9.2269 -9.2269 -8.1496 -8.1496 -8.0456 -8.0456 -0.8263 -0.8263 0.2483 0.2483 1.5189 1.5189 1.5450 1.5450 1.5866 1.5866 1.6190 1.6190 1.8514 1.8514 1.8913 1.8913 1.9012 1.9012 1.9085 1.9085 1.9768 1.9768 2.0896 2.0896 3.4660 3.4660 6.0427 6.0427 6.8401 6.8401 7.4344 7.4344 9.1906 9.1906 10.4237 10.4237 10.5867 10.5867 11.3896 11.3896 12.0319 12.0319 k =-0.2516 0.4320 0.4999 ( 3491 PWs) bands (ev): -26.3535 -26.3535 -9.2269 -9.2269 -8.1496 -8.1496 -8.0455 -8.0455 -0.8531 -0.8531 0.2850 0.2850 1.5183 1.5183 1.5461 1.5461 1.5876 1.5876 1.6185 1.6185 1.8519 1.8519 1.8940 1.8940 1.9001 1.9001 1.9040 1.9040 1.9663 1.9663 2.1157 2.1157 3.4814 3.4814 5.9697 5.9697 6.7850 6.7850 7.4676 7.4676 9.0950 9.0950 10.5019 10.5019 10.5496 10.5496 11.4640 11.4640 12.1170 12.1170 k =-0.2448 0.4203 0.4864 ( 3483 PWs) bands (ev): -26.3535 -26.3535 -9.2267 -9.2267 -8.1493 -8.1493 -8.0453 -8.0453 -0.8826 -0.8826 0.3201 0.3201 1.5172 1.5172 1.5468 1.5468 1.5849 1.5849 1.6210 1.6210 1.8518 1.8518 1.8925 1.8925 1.9011 1.9011 1.9021 1.9021 1.9572 1.9572 2.1452 2.1452 3.5017 3.5017 5.9005 5.9005 6.7339 6.7339 7.5018 7.5018 8.9998 8.9998 10.5120 10.5120 10.5803 10.5803 11.5415 11.5415 12.2040 12.2040 k =-0.2380 0.4086 0.4729 ( 3483 PWs) bands (ev): -26.3535 -26.3535 -9.2264 -9.2264 -8.1488 -8.1488 -8.0452 -8.0452 -0.9148 -0.9148 0.3535 0.3535 1.5156 1.5156 1.5472 1.5472 1.5798 1.5798 1.6250 1.6250 1.8514 1.8514 1.8872 1.8872 1.8987 1.8987 1.9069 1.9069 1.9503 1.9503 2.1778 2.1778 3.5261 3.5261 5.8353 5.8353 6.6873 6.6873 7.5370 7.5370 8.9054 8.9054 10.4790 10.4790 10.6531 10.6531 11.6218 11.6218 12.2925 12.2925 k =-0.2312 0.3969 0.4594 ( 3477 PWs) bands (ev): -26.3535 -26.3535 -9.2260 -9.2260 -8.1479 -8.1479 -8.0451 -8.0451 -0.9494 -0.9494 0.3849 0.3849 1.5134 1.5134 1.5472 1.5472 1.5735 1.5735 1.6294 1.6294 1.8512 1.8512 1.8808 1.8808 1.8963 1.8963 1.9126 1.9126 1.9458 1.9458 2.2132 2.2132 3.5538 3.5538 5.7744 5.7744 6.6457 6.6457 7.5732 7.5732 8.8120 8.8120 10.4478 10.4478 10.7219 10.7219 11.7046 11.7046 12.3822 12.3822 k =-0.2244 0.3853 0.4459 ( 3479 PWs) bands (ev): -26.3536 -26.3536 -9.2255 -9.2255 -8.1468 -8.1468 -8.0450 -8.0450 -0.9863 -0.9863 0.4144 0.4144 1.5107 1.5107 1.5467 1.5467 1.5670 1.5670 1.6334 1.6334 1.8513 1.8513 1.8739 1.8739 1.8938 1.8938 1.9185 1.9185 1.9438 1.9438 2.2512 2.2512 3.5839 3.5839 5.7180 5.7180 6.6095 6.6095 7.6105 7.6105 8.7198 8.7198 10.4188 10.4188 10.7850 10.7850 11.7897 11.7897 12.4726 12.4726 k =-0.2176 0.3736 0.4323 ( 3479 PWs) bands (ev): -26.3537 -26.3537 -9.2248 -9.2248 -8.1455 -8.1455 -8.0450 -8.0450 -1.0251 -1.0251 0.4417 0.4417 1.5075 1.5075 1.5456 1.5456 1.5606 1.5606 1.6368 1.6368 1.8518 1.8518 1.8671 1.8671 1.8915 1.8915 1.9242 1.9242 1.9438 1.9438 2.2914 2.2914 3.6156 3.6156 5.6662 5.6662 6.5794 6.5794 7.6487 7.6487 8.6289 8.6289 10.3918 10.3918 10.8412 10.8412 11.8768 11.8768 12.5628 12.5628 k =-0.2108 0.3619 0.4188 ( 3485 PWs) bands (ev): -26.3537 -26.3537 -9.2241 -9.2241 -8.1439 -8.1439 -8.0450 -8.0450 -1.0656 -1.0656 0.4668 0.4668 1.5037 1.5037 1.5436 1.5436 1.5549 1.5549 1.6394 1.6394 1.8523 1.8523 1.8613 1.8613 1.8894 1.8894 1.9293 1.9293 1.9460 1.9460 2.3336 2.3336 3.6482 3.6482 5.6195 5.6195 6.5556 6.5556 7.6881 7.6881 8.5395 8.5395 10.3668 10.3668 10.8890 10.8890 11.9658 11.9658 12.6519 12.6519 k =-0.2040 0.3502 0.4053 ( 3485 PWs) bands (ev): -26.3538 -26.3538 -9.2232 -9.2232 -8.1420 -8.1420 -8.0450 -8.0450 -1.1076 -1.1076 0.4898 0.4898 1.4995 1.4995 1.5402 1.5402 1.5504 1.5504 1.6413 1.6413 1.8505 1.8505 1.8589 1.8589 1.8881 1.8881 1.9334 1.9334 1.9502 1.9502 2.3774 2.3774 3.6809 3.6809 5.5781 5.5781 6.5388 6.5388 7.7285 7.7285 8.4519 8.4519 10.3437 10.3437 10.9268 10.9268 12.0562 12.0562 12.7386 12.7386 k =-0.1972 0.3386 0.3918 ( 3477 PWs) bands (ev): -26.3539 -26.3539 -9.2223 -9.2223 -8.1399 -8.1399 -8.0450 -8.0450 -1.1507 -1.1507 0.5107 0.5107 1.4950 1.4950 1.5357 1.5357 1.5470 1.5470 1.6425 1.6425 1.8459 1.8459 1.8604 1.8604 1.8876 1.8876 1.9365 1.9365 1.9561 1.9561 2.4225 2.4225 3.7132 3.7132 5.5423 5.5423 6.5293 6.5293 7.7699 7.7699 8.3660 8.3660 10.3224 10.3224 10.9535 10.9535 12.1479 12.1479 12.8205 12.8205 k =-0.1904 0.3269 0.3783 ( 3473 PWs) bands (ev): -26.3541 -26.3541 -9.2212 -9.2212 -8.1376 -8.1376 -8.0450 -8.0450 -1.1948 -1.1948 0.5293 0.5293 1.4903 1.4903 1.5306 1.5306 1.5441 1.5441 1.6432 1.6432 1.8411 1.8411 1.8628 1.8628 1.8883 1.8883 1.9391 1.9391 1.9631 1.9631 2.4682 2.4682 3.7443 3.7443 5.5126 5.5126 6.5275 6.5275 7.8124 7.8124 8.2821 8.2821 10.3026 10.3026 10.9679 10.9679 12.2405 12.2405 12.8941 12.8941 k =-0.1836 0.3152 0.3648 ( 3473 PWs) bands (ev): -26.3542 -26.3542 -9.2201 -9.2201 -8.1351 -8.1351 -8.0451 -8.0451 -1.2396 -1.2396 0.5460 0.5460 1.4854 1.4854 1.5253 1.5253 1.5411 1.5411 1.6435 1.6435 1.8367 1.8367 1.8649 1.8649 1.8905 1.8905 1.9414 1.9414 1.9706 1.9706 2.5143 2.5143 3.7739 3.7739 5.4892 5.4892 6.5338 6.5338 7.8559 7.8559 8.2001 8.2001 10.2843 10.2843 10.9697 10.9697 12.3335 12.3335 12.9540 12.9540 k =-0.1768 0.3035 0.3513 ( 3481 PWs) bands (ev): -26.3544 -26.3544 -9.2189 -9.2189 -8.1325 -8.1325 -8.0451 -8.0451 -1.2848 -1.2848 0.5606 0.5606 1.4805 1.4805 1.5200 1.5200 1.5380 1.5380 1.6434 1.6434 1.8329 1.8329 1.8664 1.8664 1.8944 1.8944 1.9437 1.9437 1.9785 1.9785 2.5602 2.5602 3.8013 3.8013 5.4725 5.4725 6.5485 6.5485 7.9004 7.9004 8.1203 8.1203 10.2671 10.2671 10.9590 10.9590 12.4267 12.4267 12.9919 12.9919 k =-0.1700 0.2919 0.3378 ( 3477 PWs) bands (ev): -26.3545 -26.3545 -9.2176 -9.2176 -8.1296 -8.1296 -8.0451 -8.0451 -1.3301 -1.3301 0.5734 0.5734 1.4756 1.4756 1.5147 1.5147 1.5346 1.5346 1.6432 1.6432 1.8297 1.8297 1.8674 1.8674 1.8998 1.8998 1.9459 1.9459 1.9866 1.9866 2.6053 2.6053 3.8263 3.8263 5.4629 5.4629 6.5717 6.5717 7.9458 7.9458 8.0428 8.0428 10.2508 10.2508 10.9364 10.9364 12.5192 12.5192 12.9978 12.9978 k =-0.1632 0.2802 0.3243 ( 3481 PWs) bands (ev): -26.3547 -26.3547 -9.2163 -9.2163 -8.1267 -8.1267 -8.0450 -8.0450 -1.3754 -1.3754 0.5843 0.5843 1.4709 1.4709 1.5095 1.5095 1.5309 1.5309 1.6428 1.6428 1.8271 1.8271 1.8679 1.8679 1.9062 1.9062 1.9482 1.9482 1.9949 1.9949 2.6492 2.6492 3.8485 3.8485 5.4608 5.4608 6.6036 6.6036 7.9674 7.9674 7.9923 7.9923 10.2352 10.2352 10.9031 10.9031 12.6101 12.6101 12.9641 12.9641 k =-0.1564 0.2685 0.3107 ( 3477 PWs) bands (ev): -26.3548 -26.3548 -9.2149 -9.2149 -8.1237 -8.1237 -8.0449 -8.0449 -1.4204 -1.4204 0.5936 0.5936 1.4665 1.4665 1.5044 1.5044 1.5270 1.5270 1.6425 1.6425 1.8250 1.8250 1.8684 1.8684 1.9133 1.9133 1.9504 1.9504 2.0032 2.0032 2.6914 2.6914 3.8679 3.8679 5.4665 5.4665 6.6441 6.6441 7.8946 7.8946 8.0393 8.0393 10.2198 10.2198 10.8606 10.8606 12.6974 12.6974 12.8923 12.8923 k =-0.1496 0.2568 0.2972 ( 3477 PWs) bands (ev): -26.3550 -26.3550 -9.2135 -9.2135 -8.1207 -8.1207 -8.0447 -8.0447 -1.4649 -1.4649 0.6014 0.6014 1.4622 1.4622 1.4992 1.4992 1.5228 1.5228 1.6420 1.6420 1.8236 1.8236 1.8688 1.8688 1.9209 1.9209 1.9527 1.9527 2.0116 2.0116 2.7313 2.7313 3.8844 3.8844 5.4803 5.4803 6.6932 6.6932 7.8242 7.8242 8.0871 8.0871 10.2043 10.2043 10.8104 10.8104 12.7528 12.7528 12.8171 12.8171 k =-0.1428 0.2452 0.2837 ( 3479 PWs) bands (ev): -26.3552 -26.3552 -9.2121 -9.2121 -8.1176 -8.1176 -8.0444 -8.0444 -1.5087 -1.5087 0.6078 0.6078 1.4582 1.4582 1.4940 1.4940 1.5185 1.5185 1.6416 1.6416 1.8226 1.8226 1.8694 1.8694 1.9286 1.9286 1.9550 1.9550 2.0200 2.0200 2.7687 2.7687 3.8980 3.8980 5.5024 5.5024 6.7506 6.7506 7.7563 7.7563 8.1355 8.1355 10.1882 10.1882 10.7542 10.7542 12.6476 12.6476 12.8755 12.8755 k =-0.1360 0.2335 0.2702 ( 3483 PWs) bands (ev): -26.3554 -26.3554 -9.2106 -9.2106 -8.1146 -8.1146 -8.0440 -8.0440 -1.5515 -1.5515 0.6129 0.6129 1.4544 1.4544 1.4888 1.4888 1.5141 1.5141 1.6413 1.6413 1.8221 1.8221 1.8700 1.8700 1.9363 1.9363 1.9573 1.9573 2.0284 2.0284 2.8031 2.8031 3.9087 3.9087 5.5330 5.5330 6.8161 6.8161 7.6911 7.6911 8.1844 8.1844 10.1708 10.1708 10.6933 10.6933 12.5075 12.5075 12.9475 12.9475 k =-0.1292 0.2218 0.2567 ( 3487 PWs) bands (ev): -26.3556 -26.3556 -9.2092 -9.2092 -8.1116 -8.1116 -8.0435 -8.0435 -1.5934 -1.5934 0.6169 0.6169 1.4509 1.4509 1.4836 1.4836 1.5096 1.5096 1.6409 1.6409 1.8221 1.8221 1.8708 1.8708 1.9438 1.9438 1.9598 1.9598 2.0367 2.0367 2.8344 2.8344 3.9169 3.9169 5.5720 5.5720 6.8893 6.8893 7.6285 7.6285 8.2336 8.2336 10.1515 10.1515 10.6290 10.6290 12.3582 12.3582 13.0087 13.0087 k =-0.1224 0.2101 0.2432 ( 3495 PWs) bands (ev): -26.3558 -26.3558 -9.2078 -9.2078 -8.1087 -8.1087 -8.0428 -8.0428 -1.6339 -1.6339 0.6199 0.6199 1.4476 1.4476 1.4784 1.4784 1.5052 1.5052 1.6405 1.6405 1.8225 1.8225 1.8717 1.8717 1.9508 1.9508 1.9626 1.9626 2.0450 2.0450 2.8623 2.8623 3.9227 3.9227 5.6195 5.6195 6.9697 6.9697 7.5688 7.5688 8.2830 8.2830 10.1295 10.1295 10.5624 10.5624 12.2050 12.2050 13.0499 13.0499 k =-0.1156 0.1985 0.2297 ( 3497 PWs) bands (ev): -26.3559 -26.3559 -9.2063 -9.2063 -8.1060 -8.1060 -8.0420 -8.0420 -1.6731 -1.6731 0.6219 0.6219 1.4446 1.4446 1.4732 1.4732 1.5008 1.5008 1.6402 1.6402 1.8233 1.8233 1.8728 1.8728 1.9566 1.9566 1.9664 1.9664 2.0531 2.0531 2.8868 2.8868 3.9263 3.9263 5.6751 5.6751 7.0570 7.0570 7.5119 7.5119 8.3323 8.3323 10.1036 10.1036 10.4944 10.4944 12.0518 12.0518 13.0576 13.0576 k =-0.1088 0.1868 0.2162 ( 3497 PWs) bands (ev): -26.3561 -26.3561 -9.2050 -9.2050 -8.1035 -8.1035 -8.0410 -8.0410 -1.7108 -1.7108 0.6233 0.6233 1.4419 1.4419 1.4679 1.4679 1.4966 1.4966 1.6398 1.6398 1.8244 1.8244 1.8741 1.8741 1.9608 1.9608 1.9715 1.9715 2.0610 2.0610 2.9081 2.9081 3.9281 3.9281 5.7387 5.7387 7.1504 7.1504 7.4580 7.4580 8.3814 8.3814 10.0728 10.0728 10.4255 10.4255 11.9014 11.9014 13.0206 13.0206 k =-0.1020 0.1751 0.2027 ( 3503 PWs) bands (ev): -26.3563 -26.3563 -9.2036 -9.2036 -8.1012 -8.1012 -8.0398 -8.0398 -1.7468 -1.7468 0.6240 0.6240 1.4393 1.4393 1.4627 1.4627 1.4926 1.4926 1.6395 1.6395 1.8257 1.8257 1.8754 1.8754 1.9637 1.9637 1.9776 1.9776 2.0687 2.0687 2.9261 2.9261 3.9284 3.9284 5.8098 5.8098 7.2492 7.2492 7.4076 7.4076 8.4300 8.4300 10.0357 10.0357 10.3562 10.3562 11.7566 11.7566 12.9417 12.9417 k =-0.0952 0.1634 0.1892 ( 3509 PWs) bands (ev): -26.3565 -26.3565 -9.2023 -9.2023 -8.0990 -8.0990 -8.0385 -8.0385 -1.7810 -1.7810 0.6241 0.6241 1.4369 1.4369 1.4575 1.4575 1.4887 1.4887 1.6392 1.6392 1.8271 1.8271 1.8769 1.8769 1.9659 1.9659 1.9839 1.9839 2.0762 2.0762 2.9411 2.9411 3.9273 3.9273 5.8879 5.8879 7.3401 7.3401 7.3733 7.3733 8.4779 8.4779 9.9908 9.9908 10.2869 10.2869 11.6199 11.6199 12.8340 12.8340 k =-0.0884 0.1518 0.1756 ( 3503 PWs) bands (ev): -26.3567 -26.3567 -9.2011 -9.2011 -8.0972 -8.0972 -8.0371 -8.0371 -1.8133 -1.8133 0.6238 0.6238 1.4348 1.4348 1.4524 1.4524 1.4852 1.4852 1.6389 1.6389 1.8288 1.8288 1.8785 1.8785 1.9678 1.9678 1.9902 1.9902 2.0834 2.0834 2.9534 2.9534 3.9253 3.9253 5.9724 5.9724 7.3107 7.3107 7.4672 7.4672 8.5248 8.5248 9.9368 9.9368 10.2177 10.2177 11.4936 11.4936 12.7097 12.7097 k =-0.0816 0.1401 0.1621 ( 3499 PWs) bands (ev): -26.3568 -26.3568 -9.1999 -9.1999 -8.0955 -8.0955 -8.0355 -8.0355 -1.8436 -1.8436 0.6232 0.6232 1.4329 1.4329 1.4475 1.4475 1.4818 1.4818 1.6386 1.6386 1.8305 1.8305 1.8802 1.8802 1.9695 1.9695 1.9962 1.9962 2.0902 2.0902 2.9632 2.9632 3.9224 3.9224 6.0624 6.0624 7.2695 7.2695 7.5801 7.5801 8.5705 8.5705 9.8726 9.8726 10.1485 10.1485 11.3797 11.3797 12.5769 12.5769 k =-0.0748 0.1284 0.1486 ( 3503 PWs) bands (ev): -26.3570 -26.3570 -9.1988 -9.1988 -8.0941 -8.0941 -8.0338 -8.0338 -1.8718 -1.8718 0.6223 0.6223 1.4311 1.4311 1.4427 1.4427 1.4788 1.4788 1.6383 1.6383 1.8321 1.8321 1.8819 1.8819 1.9710 1.9710 2.0018 2.0018 2.0966 2.0966 2.9708 2.9708 3.9190 3.9190 6.1573 6.1573 7.2309 7.2309 7.6971 7.6971 8.6145 8.6145 9.7978 9.7978 10.0793 10.0793 11.2796 11.2796 12.4409 12.4409 k =-0.0680 0.1167 0.1351 ( 3495 PWs) bands (ev): -26.3571 -26.3571 -9.1978 -9.1978 -8.0929 -8.0929 -8.0321 -8.0321 -1.8979 -1.8979 0.6212 0.6212 1.4295 1.4295 1.4382 1.4382 1.4760 1.4760 1.6381 1.6381 1.8338 1.8338 1.8836 1.8836 1.9724 1.9724 2.0072 2.0072 2.1026 2.1026 2.9765 2.9765 3.9153 3.9153 6.2559 6.2559 7.1953 7.1953 7.8171 7.8171 8.6566 8.6566 9.7125 9.7125 10.0096 10.0096 11.1938 11.1938 12.3053 12.3053 k =-0.0612 0.1051 0.1216 ( 3491 PWs) bands (ev): -26.3573 -26.3573 -9.1968 -9.1968 -8.0919 -8.0919 -8.0303 -8.0303 -1.9217 -1.9217 0.6200 0.6200 1.4281 1.4281 1.4339 1.4339 1.4735 1.4735 1.6379 1.6379 1.8354 1.8354 1.8853 1.8853 1.9737 1.9737 2.0121 2.0121 2.1082 2.1082 2.9807 2.9807 3.9115 3.9115 6.3571 6.3571 7.1629 7.1629 7.9393 7.9393 8.6965 8.6965 9.6182 9.6182 9.9392 9.9392 11.1222 11.1222 12.1731 12.1731 k =-0.0544 0.0934 0.1081 ( 3491 PWs) bands (ev): -26.3574 -26.3574 -9.1960 -9.1960 -8.0911 -8.0911 -8.0286 -8.0286 -1.9432 -1.9432 0.6188 0.6188 1.4268 1.4268 1.4299 1.4299 1.4712 1.4712 1.6376 1.6376 1.8369 1.8369 1.8869 1.8869 1.9748 1.9748 2.0165 2.0165 2.1132 2.1132 2.9837 2.9837 3.9076 3.9076 6.4596 6.4596 7.1338 7.1338 8.0628 8.0628 8.7338 8.7338 9.5170 9.5170 9.8675 9.8675 11.0637 11.0637 12.0468 12.0468 k =-0.0476 0.0817 0.0946 ( 3499 PWs) bands (ev): -26.3575 -26.3575 -9.1952 -9.1952 -8.0905 -8.0905 -8.0270 -8.0270 -1.9623 -1.9623 0.6176 0.6176 1.4256 1.4256 1.4263 1.4263 1.4692 1.4692 1.6374 1.6374 1.8383 1.8383 1.8885 1.8885 1.9758 1.9758 2.0205 2.0205 2.1178 2.1178 2.9856 2.9856 3.9039 3.9039 6.5616 6.5616 7.1081 7.1081 8.1867 8.1867 8.7682 8.7682 9.4119 9.4119 9.7941 9.7941 11.0168 11.0168 11.9288 11.9288 k =-0.0408 0.0700 0.0811 ( 3499 PWs) bands (ev): -26.3576 -26.3576 -9.1945 -9.1945 -8.0899 -8.0899 -8.0256 -8.0256 -1.9789 -1.9789 0.6164 0.6164 1.4230 1.4230 1.4247 1.4247 1.4675 1.4675 1.6372 1.6372 1.8395 1.8395 1.8899 1.8899 1.9766 1.9766 2.0241 2.0241 2.1217 2.1217 2.9868 2.9868 3.9005 3.9005 6.6611 6.6611 7.0857 7.0857 8.3097 8.3097 8.7997 8.7997 9.3063 9.3063 9.7186 9.7186 10.9800 10.9800 11.8212 11.8212 k =-0.0340 0.0584 0.0676 ( 3495 PWs) bands (ev): -26.3577 -26.3577 -9.1939 -9.1939 -8.0895 -8.0895 -8.0242 -8.0242 -1.9931 -1.9931 0.6153 0.6153 1.4203 1.4203 1.4239 1.4239 1.4661 1.4661 1.6371 1.6371 1.8405 1.8405 1.8912 1.8912 1.9774 1.9774 2.0271 2.0271 2.1251 2.1251 2.9874 2.9874 3.8974 3.8974 6.7555 6.7555 7.0667 7.0667 8.4300 8.4300 8.8282 8.8282 9.2044 9.2044 9.6406 9.6406 10.9516 10.9516 11.7260 11.7260 k =-0.0272 0.0467 0.0540 ( 3483 PWs) bands (ev): -26.3578 -26.3578 -9.1935 -9.1935 -8.0892 -8.0892 -8.0231 -8.0231 -2.0048 -2.0048 0.6145 0.6145 1.4180 1.4180 1.4232 1.4232 1.4649 1.4649 1.6370 1.6370 1.8414 1.8414 1.8923 1.8923 1.9780 1.9780 2.0296 2.0296 2.1279 2.1279 2.9877 2.9877 3.8948 3.8948 6.8416 6.8416 7.0512 7.0512 8.5449 8.5449 8.8543 8.8543 9.1105 9.1105 9.5606 9.5606 10.9303 10.9303 11.6451 11.6451 k =-0.0204 0.0350 0.0405 ( 3487 PWs) bands (ev): -26.3578 -26.3578 -9.1931 -9.1931 -8.0890 -8.0890 -8.0222 -8.0222 -2.0139 -2.0139 0.6137 0.6137 1.4162 1.4162 1.4227 1.4227 1.4640 1.4640 1.6369 1.6369 1.8421 1.8421 1.8932 1.8932 1.9785 1.9785 2.0316 2.0316 2.1301 2.1301 2.9877 2.9877 3.8927 3.8927 6.9154 6.9154 7.0392 7.0392 8.6494 8.6494 8.8799 8.8799 9.0295 9.0295 9.4799 9.4799 10.9149 10.9149 11.5803 11.5803 k =-0.0136 0.0233 0.0270 ( 3487 PWs) bands (ev): -26.3578 -26.3578 -9.1928 -9.1928 -8.0888 -8.0888 -8.0215 -8.0215 -2.0204 -2.0204 0.6131 0.6131 1.4148 1.4148 1.4224 1.4224 1.4634 1.4634 1.6369 1.6369 1.8425 1.8425 1.8938 1.8938 1.9788 1.9788 2.0330 2.0330 2.1317 2.1317 2.9877 2.9877 3.8911 3.8911 6.9723 6.9723 7.0312 7.0312 8.7337 8.7337 8.9086 8.9086 8.9669 8.9669 9.4030 9.4030 10.9044 10.9044 11.5329 11.5329 k =-0.0068 0.0117 0.0135 ( 3483 PWs) bands (ev): -26.3579 -26.3579 -9.1926 -9.1926 -8.0887 -8.0887 -8.0211 -8.0211 -2.0243 -2.0243 0.6128 0.6128 1.4141 1.4141 1.4221 1.4221 1.4630 1.4630 1.6368 1.6368 1.8429 1.8429 1.8942 1.8942 1.9790 1.9790 2.0339 2.0339 2.1326 2.1326 2.9876 2.9876 3.8902 3.8902 7.0064 7.0064 7.0286 7.0286 8.7850 8.7850 8.9239 8.9239 8.9450 8.9450 9.3404 9.3404 10.8984 10.8984 11.5040 11.5040 k = 0.0000 0.0000 0.0000 ( 3485 PWs) bands (ev): -26.3579 -26.3579 -9.1926 -9.1926 -8.0887 -8.0887 -8.0210 -8.0210 -2.0256 -2.0256 0.6127 0.6127 1.4138 1.4138 1.4221 1.4221 1.4628 1.4628 1.6368 1.6368 1.8430 1.8430 1.8944 1.8944 1.9791 1.9791 2.0342 2.0342 2.1329 2.1329 2.9876 2.9876 3.8899 3.8899 7.0145 7.0145 7.0314 7.0314 8.8008 8.8008 8.9113 8.9113 8.9617 8.9617 9.3141 9.3141 10.8965 10.8965 11.4943 11.4943 k = 0.0000 0.0000 0.0000 ( 3485 PWs) bands (ev): -26.3579 -26.3579 -9.1926 -9.1926 -8.0887 -8.0887 -8.0210 -8.0210 -2.0256 -2.0256 0.6127 0.6127 1.4138 1.4138 1.4221 1.4221 1.4628 1.4628 1.6368 1.6368 1.8430 1.8430 1.8944 1.8944 1.9791 1.9791 2.0342 2.0342 2.1329 2.1329 2.9876 2.9876 3.8899 3.8899 7.0145 7.0145 7.0314 7.0314 8.8008 8.8008 8.9113 8.9113 8.9617 8.9617 9.3141 9.3141 10.8965 10.8965 11.4943 11.4943 k = 0.0167 0.0097-0.0000 ( 3489 PWs) bands (ev): -26.3579 -26.3579 -9.1926 -9.1926 -8.0888 -8.0888 -8.0210 -8.0210 -2.0242 -2.0242 0.6106 0.6106 1.4138 1.4138 1.4221 1.4221 1.4628 1.4628 1.6368 1.6368 1.8428 1.8428 1.8943 1.8943 1.9790 1.9790 2.0341 2.0341 2.1329 2.1329 2.9733 2.9733 3.9086 3.9086 7.0132 7.0132 7.0304 7.0304 8.8042 8.8042 8.8968 8.8968 8.9646 8.9646 9.3317 9.3317 10.8795 10.8795 11.5112 11.5112 k = 0.0333 0.0194-0.0000 ( 3489 PWs) bands (ev): -26.3579 -26.3579 -9.1927 -9.1927 -8.0889 -8.0889 -8.0210 -8.0210 -2.0198 -2.0198 0.6044 0.6044 1.4142 1.4142 1.4221 1.4221 1.4627 1.4627 1.6365 1.6365 1.8426 1.8426 1.8944 1.8944 1.9788 1.9788 2.0342 2.0342 2.1326 2.1326 2.9336 2.9336 3.9616 3.9616 7.0095 7.0095 7.0275 7.0275 8.8146 8.8146 8.8589 8.8589 8.9740 8.9740 9.3787 9.3787 10.8337 10.8337 11.5568 11.5568 k = 0.0500 0.0291-0.0000 ( 3497 PWs) bands (ev): -26.3579 -26.3579 -9.1928 -9.1928 -8.0892 -8.0892 -8.0210 -8.0210 -2.0126 -2.0126 0.5940 0.5940 1.4148 1.4148 1.4221 1.4221 1.4625 1.4625 1.6361 1.6361 1.8421 1.8421 1.8943 1.8943 1.9785 1.9785 2.0341 2.0341 2.1321 2.1321 2.8759 2.8759 4.0415 4.0415 7.0035 7.0035 7.0227 7.0227 8.8077 8.8077 8.8317 8.8317 8.9898 8.9898 9.4446 9.4446 10.7688 10.7688 11.6212 11.6212 k = 0.0667 0.0388-0.0000 ( 3497 PWs) bands (ev): -26.3579 -26.3579 -9.1929 -9.1929 -8.0896 -8.0896 -8.0210 -8.0210 -2.0025 -2.0025 0.5795 0.5795 1.4157 1.4157 1.4221 1.4221 1.4624 1.4624 1.6357 1.6357 1.8415 1.8415 1.8943 1.8943 1.9781 1.9781 2.0341 2.0341 2.1314 2.1314 2.8075 2.8075 4.1412 4.1412 6.9952 6.9952 7.0161 7.0161 8.7507 8.7507 8.8553 8.8553 9.0119 9.0119 9.5222 9.5222 10.6929 10.6929 11.6960 11.6960 k = 0.0833 0.0485-0.0000 ( 3497 PWs) bands (ev): -26.3579 -26.3579 -9.1931 -9.1931 -8.0900 -8.0900 -8.0211 -8.0211 -1.9896 -1.9896 0.5607 0.5607 1.4167 1.4167 1.4221 1.4221 1.4621 1.4621 1.6350 1.6350 1.8405 1.8405 1.8942 1.8942 1.9776 1.9776 2.0341 2.0341 2.1304 2.1304 2.7338 2.7338 4.2552 4.2552 6.9851 6.9851 7.0079 7.0079 8.6915 8.6915 8.8852 8.8852 9.0399 9.0399 9.6076 9.6076 10.6113 10.6113 11.7759 11.7759 k = 0.1000 0.0582-0.0000 ( 3501 PWs) bands (ev): -26.3579 -26.3579 -9.1933 -9.1933 -8.0906 -8.0906 -8.0211 -8.0211 -1.9739 -1.9739 0.5379 0.5379 1.4179 1.4179 1.4221 1.4221 1.4619 1.4619 1.6343 1.6343 1.8393 1.8393 1.8941 1.8941 1.9770 1.9770 2.0340 2.0340 2.1291 2.1291 2.6585 2.6585 4.3800 4.3800 6.9732 6.9732 6.9984 6.9984 8.6323 8.6323 8.9211 8.9211 9.0737 9.0737 9.6988 9.6988 10.5270 10.5270 11.8573 11.8573 k = 0.1167 0.0680-0.0000 ( 3501 PWs) bands (ev): -26.3579 -26.3579 -9.1936 -9.1936 -8.0912 -8.0912 -8.0211 -8.0211 -1.9553 -1.9553 0.5108 0.5108 1.4192 1.4192 1.4221 1.4221 1.4615 1.4615 1.6334 1.6334 1.8378 1.8378 1.8941 1.8941 1.9764 1.9764 2.0340 2.0340 2.1274 2.1274 2.5843 2.5843 4.5132 4.5132 6.9598 6.9598 6.9876 6.9876 8.5741 8.5741 8.9625 8.9625 9.1128 9.1128 9.7949 9.7949 10.4419 10.4419 11.9378 11.9378 k = 0.1333 0.0777-0.0000 ( 3501 PWs) bands (ev): -26.3579 -26.3579 -9.1939 -9.1939 -8.0919 -8.0919 -8.0211 -8.0211 -1.9340 -1.9340 0.4796 0.4796 1.4206 1.4206 1.4222 1.4222 1.4612 1.4612 1.6324 1.6324 1.8359 1.8359 1.8940 1.8940 1.9756 1.9756 2.0339 2.0339 2.1250 2.1250 2.5129 2.5129 4.6533 4.6533 6.9454 6.9454 6.9759 6.9759 8.5175 8.5175 9.0091 9.0091 9.1570 9.1570 9.8950 9.8950 10.3574 10.3574 12.0155 12.0155 k = 0.1500 0.0874-0.0000 ( 3501 PWs) bands (ev): -26.3578 -26.3578 -9.1942 -9.1942 -8.0927 -8.0927 -8.0212 -8.0212 -1.9099 -1.9099 0.4444 0.4444 1.4221 1.4221 1.4224 1.4224 1.4607 1.4607 1.6312 1.6312 1.8335 1.8335 1.8939 1.8939 1.9748 1.9748 2.0338 2.0338 2.1218 2.1218 2.4456 2.4456 4.7991 4.7991 6.9301 6.9301 6.9635 6.9635 8.4629 8.4629 9.0605 9.0605 9.2059 9.2059 9.9990 9.9990 10.2742 10.2742 12.0887 12.0887 k = 0.1667 0.0971-0.0000 ( 3497 PWs) bands (ev): -26.3578 -26.3578 -9.1945 -9.1945 -8.0936 -8.0936 -8.0212 -8.0212 -1.8832 -1.8832 0.4052 0.4052 1.4223 1.4223 1.4238 1.4238 1.4603 1.4603 1.6300 1.6300 1.8306 1.8306 1.8938 1.8938 1.9739 1.9739 2.0337 2.0337 2.1174 2.1174 2.3837 2.3837 4.9501 4.9501 6.9142 6.9142 6.9505 6.9505 8.4105 8.4105 9.1162 9.1162 9.2592 9.2592 10.1065 10.1065 10.1930 10.1930 12.1551 12.1551 k = 0.1833 0.1068-0.0000 ( 3513 PWs) bands (ev): -26.3578 -26.3578 -9.1949 -9.1949 -8.0945 -8.0945 -8.0212 -8.0212 -1.8538 -1.8538 0.3621 0.3621 1.4223 1.4223 1.4254 1.4254 1.4598 1.4598 1.6285 1.6285 1.8270 1.8270 1.8937 1.8937 1.9729 1.9729 2.0337 2.0337 2.1109 2.1109 2.3282 2.3282 5.1055 5.1055 6.8980 6.8980 6.9372 6.9372 8.3605 8.3605 9.1759 9.1759 9.3164 9.3164 10.1142 10.1142 10.2173 10.2173 12.2116 12.2116 k = 0.2000 0.1165-0.0000 ( 3513 PWs) bands (ev): -26.3578 -26.3578 -9.1953 -9.1953 -8.0954 -8.0954 -8.0213 -8.0213 -1.8218 -1.8218 0.3153 0.3153 1.4224 1.4224 1.4270 1.4270 1.4594 1.4594 1.6269 1.6269 1.8226 1.8226 1.8935 1.8935 1.9719 1.9719 2.0336 2.0336 2.1016 2.1016 2.2809 2.2809 5.2651 5.2651 6.8817 6.8817 6.9238 6.9238 8.3129 8.3129 9.2390 9.2390 9.3773 9.3773 10.0382 10.0382 10.3313 10.3313 12.2530 12.2530 k = 0.2167 0.1262-0.0000 ( 3517 PWs) bands (ev): -26.3578 -26.3578 -9.1957 -9.1957 -8.0964 -8.0964 -8.0213 -8.0213 -1.7872 -1.7872 0.2650 0.2650 1.4224 1.4224 1.4286 1.4286 1.4589 1.4589 1.6252 1.6252 1.8172 1.8172 1.8934 1.8934 1.9709 1.9709 2.0334 2.0334 2.0882 2.0882 2.2429 2.2429 5.4285 5.4285 6.8654 6.8654 6.9104 6.9104 8.2678 8.2678 9.3050 9.3050 9.4412 9.4412 9.9653 9.9653 10.4485 10.4485 12.2697 12.2697 k = 0.2333 0.1359-0.0000 ( 3509 PWs) bands (ev): -26.3578 -26.3578 -9.1961 -9.1961 -8.0974 -8.0974 -8.0214 -8.0214 -1.7502 -1.7502 0.2115 0.2115 1.4225 1.4225 1.4301 1.4301 1.4584 1.4584 1.6234 1.6234 1.8106 1.8106 1.8933 1.8933 1.9699 1.9699 2.0333 2.0333 2.0704 2.0704 2.2150 2.2150 5.5954 5.5954 6.8495 6.8495 6.8972 6.8972 8.2252 8.2252 9.3736 9.3736 9.5079 9.5079 9.8959 9.8959 10.5688 10.5688 12.2462 12.2462 k = 0.2500 0.1456-0.0000 ( 3501 PWs) bands (ev): -26.3578 -26.3578 -9.1965 -9.1965 -8.0984 -8.0984 -8.0214 -8.0214 -1.7107 -1.7107 0.1549 0.1549 1.4225 1.4225 1.4316 1.4316 1.4580 1.4580 1.6214 1.6214 1.8028 1.8028 1.8931 1.8931 1.9688 1.9688 2.0332 2.0332 2.0494 2.0494 2.1961 2.1961 5.7655 5.7655 6.8340 6.8340 6.8843 6.8843 8.1852 8.1852 9.4441 9.4441 9.5769 9.5769 9.8303 9.8303 10.6920 10.6920 12.1661 12.1661 k = 0.2667 0.1553-0.0000 ( 3501 PWs) bands (ev): -26.3578 -26.3578 -9.1969 -9.1969 -8.0994 -8.0994 -8.0214 -8.0214 -1.6689 -1.6689 0.0957 0.0957 1.4226 1.4226 1.4329 1.4329 1.4575 1.4575 1.6191 1.6191 1.7937 1.7937 1.8930 1.8930 1.9678 1.9678 2.0275 2.0275 2.0331 2.0331 2.1838 2.1838 5.9385 5.9385 6.8191 6.8191 6.8718 6.8718 8.1478 8.1478 9.5155 9.5155 9.6476 9.6476 9.7690 9.7690 10.8182 10.8182 12.0291 12.0291 k = 0.2833 0.1650-0.0000 ( 3501 PWs) bands (ev): -26.3578 -26.3578 -9.1973 -9.1973 -8.1004 -8.1004 -8.0215 -8.0215 -1.6248 -1.6248 0.0341 0.0341 1.4226 1.4226 1.4341 1.4341 1.4570 1.4570 1.6167 1.6167 1.7833 1.7833 1.8928 1.8928 1.9668 1.9668 2.0069 2.0069 2.0330 2.0330 2.1758 2.1758 6.1142 6.1142 6.8050 6.8050 6.8599 6.8599 8.1130 8.1130 9.5857 9.5857 9.7139 9.7139 9.7196 9.7196 10.9473 10.9473 11.8526 11.8526 k = 0.3000 0.1747-0.0000 ( 3502 PWs) bands (ev): -26.3578 -26.3578 -9.1977 -9.1977 -8.1013 -8.1013 -8.0215 -8.0215 -1.5785 -1.5785 -0.0296 -0.0296 1.4227 1.4227 1.4352 1.4352 1.4566 1.4566 1.6140 1.6140 1.7720 1.7720 1.8927 1.8927 1.9658 1.9658 1.9888 1.9888 2.0329 2.0329 2.1703 2.1703 6.2922 6.2922 6.7917 6.7917 6.8486 6.8486 8.0808 8.0808 9.6296 9.6296 9.6894 9.6894 9.7923 9.7923 11.0793 11.0793 11.6537 11.6537 k = 0.3167 0.1845-0.0000 ( 3490 PWs) bands (ev): -26.3578 -26.3578 -9.1980 -9.1980 -8.1022 -8.1022 -8.0215 -8.0215 -1.5301 -1.5301 -0.0949 -0.0949 1.4227 1.4227 1.4362 1.4362 1.4562 1.4562 1.6111 1.6111 1.7602 1.7602 1.8925 1.8925 1.9649 1.9649 1.9737 1.9737 2.0328 2.0328 2.1665 2.1665 6.4720 6.4720 6.7797 6.7797 6.8381 6.8381 8.0512 8.0512 9.5959 9.5959 9.7464 9.7464 9.8649 9.8649 11.2140 11.2140 11.4435 11.4435 k = 0.3333 0.1942-0.0000 ( 3490 PWs) bands (ev): -26.3577 -26.3577 -9.1984 -9.1984 -8.1031 -8.1031 -8.0216 -8.0216 -1.4797 -1.4797 -0.1617 -0.1617 1.4228 1.4228 1.4370 1.4370 1.4557 1.4557 1.6079 1.6079 1.7483 1.7483 1.8924 1.8924 1.9615 1.9615 1.9640 1.9640 2.0327 2.0327 2.1637 2.1637 6.6513 6.6513 6.7707 6.7707 6.8283 6.8283 8.0242 8.0242 9.5521 9.5521 9.8167 9.8167 9.9368 9.9368 11.2280 11.2280 11.3515 11.3515 k = 0.3500 0.2039-0.0000 ( 3482 PWs) bands (ev): -26.3577 -26.3577 -9.1987 -9.1987 -8.1040 -8.1040 -8.0216 -8.0216 -1.4273 -1.4273 -0.2294 -0.2294 1.4229 1.4229 1.4377 1.4377 1.4553 1.4553 1.6046 1.6046 1.7370 1.7370 1.8923 1.8923 1.9517 1.9517 1.9631 1.9631 2.0326 2.0326 2.1616 2.1616 6.7499 6.7499 6.8193 6.8193 6.8446 6.8446 7.9997 7.9997 9.5110 9.5110 9.8866 9.8866 10.0071 10.0071 11.0108 11.0108 11.4917 11.4917 k = 0.3667 0.2136-0.0000 ( 3482 PWs) bands (ev): -26.3577 -26.3577 -9.1991 -9.1991 -8.1047 -8.1047 -8.0216 -8.0216 -1.3733 -1.3733 -0.2979 -0.2979 1.4230 1.4230 1.4382 1.4382 1.4549 1.4549 1.6011 1.6011 1.7266 1.7266 1.8922 1.8922 1.9440 1.9440 1.9623 1.9623 2.0325 2.0325 2.1601 2.1601 6.7440 6.7440 6.8112 6.8112 7.0244 7.0244 7.9779 7.9779 9.4739 9.4739 9.9541 9.9541 10.0748 10.0748 10.7947 10.7947 11.6345 11.6345 k = 0.3833 0.2233-0.0000 ( 3478 PWs) bands (ev): -26.3577 -26.3577 -9.1993 -9.1993 -8.1054 -8.1054 -8.0217 -8.0217 -1.3176 -1.3176 -0.3667 -0.3667 1.4230 1.4230 1.4386 1.4386 1.4546 1.4546 1.5975 1.5975 1.7174 1.7174 1.8921 1.8921 1.9380 1.9380 1.9615 1.9615 2.0324 2.0324 2.1588 2.1588 6.7361 6.7361 6.8039 6.8039 7.2068 7.2068 7.9586 7.9586 9.4411 9.4411 10.0173 10.0173 10.1390 10.1390 10.5820 10.5820 11.7799 11.7799 k = 0.4000 0.2330-0.0000 ( 3458 PWs) bands (ev): -26.3577 -26.3577 -9.1996 -9.1996 -8.1060 -8.1060 -8.0217 -8.0217 -1.2605 -1.2605 -0.4355 -0.4355 1.4231 1.4231 1.4388 1.4388 1.4543 1.4543 1.5940 1.5940 1.7095 1.7095 1.8921 1.8921 1.9333 1.9333 1.9609 1.9609 2.0324 2.0324 2.1579 2.1579 6.7289 6.7289 6.7976 6.7976 7.3874 7.3874 7.9420 7.9420 9.4129 9.4129 10.0735 10.0735 10.1984 10.1984 10.3765 10.3765 11.9278 11.9278 k = 0.4167 0.2427-0.0000 ( 3458 PWs) bands (ev): -26.3577 -26.3577 -9.1998 -9.1998 -8.1066 -8.1066 -8.0217 -8.0217 -1.2024 -1.2024 -0.5037 -0.5037 1.4232 1.4232 1.4390 1.4390 1.4540 1.4540 1.5907 1.5907 1.7030 1.7030 1.8920 1.8920 1.9297 1.9297 1.9603 1.9603 2.0324 2.0324 2.1571 2.1571 6.7226 6.7226 6.7923 6.7923 7.5636 7.5636 7.9279 7.9279 9.3896 9.3896 10.1017 10.1017 10.2006 10.2006 10.2518 10.2518 12.0781 12.0781 k = 0.4333 0.2524-0.0000 ( 3454 PWs) bands (ev): -26.3577 -26.3577 -9.2000 -9.2000 -8.1070 -8.1070 -8.0217 -8.0217 -1.1437 -1.1437 -0.5708 -0.5708 1.4232 1.4232 1.4391 1.4391 1.4538 1.4538 1.5878 1.5878 1.6978 1.6978 1.8920 1.8920 1.9270 1.9270 1.9598 1.9598 2.0323 2.0323 2.1566 2.1566 6.7175 6.7175 6.7879 6.7879 7.7317 7.7317 7.9163 7.9163 9.3715 9.3715 9.9677 9.9677 10.1908 10.1908 10.2979 10.2979 12.2307 12.2307 k = 0.4500 0.2621-0.0000 ( 3454 PWs) bands (ev): -26.3577 -26.3577 -9.2001 -9.2001 -8.1074 -8.1074 -8.0218 -8.0217 -1.0855 -1.0855 -0.6357 -0.6357 1.4232 1.4232 1.4391 1.4391 1.4536 1.4536 1.5853 1.5853 1.6939 1.6939 1.8919 1.8919 1.9249 1.9249 1.9594 1.9594 2.0323 2.0323 2.1562 2.1562 6.7134 6.7134 6.7844 6.7844 7.8852 7.8852 7.9074 7.9074 9.3594 9.3594 9.7998 9.7998 10.2234 10.2234 10.3354 10.3354 12.3853 12.3853 k = 0.4667 0.2718-0.0000 ( 3450 PWs) bands (ev): -26.3577 -26.3577 -9.2003 -9.2003 -8.1076 -8.1076 -8.0218 -8.0218 -1.0301 -1.0301 -0.6960 -0.6960 1.4233 1.4233 1.4391 1.4391 1.4535 1.4535 1.5835 1.5835 1.6912 1.6912 1.8919 1.8919 1.9236 1.9236 1.9591 1.9591 2.0323 2.0323 2.1559 2.1559 6.7105 6.7105 6.7819 6.7819 7.9010 7.9010 8.0141 8.0141 9.3545 9.3545 9.6548 9.6548 10.2497 10.2497 10.3631 10.3631 12.5416 12.5416 k = 0.4833 0.2815-0.0000 ( 3450 PWs) bands (ev): -26.3577 -26.3577 -9.2003 -9.2003 -8.1078 -8.1078 -8.0218 -8.0218 -0.9838 -0.9838 -0.7452 -0.7452 1.4233 1.4233 1.4390 1.4390 1.4534 1.4534 1.5824 1.5824 1.6896 1.6896 1.8919 1.8919 1.9228 1.9228 1.9590 1.9590 2.0322 2.0322 2.1558 2.1558 6.7088 6.7088 6.7805 6.7805 7.8971 7.8971 8.1032 8.1032 9.3576 9.3576 9.5497 9.5497 10.2662 10.2662 10.3802 10.3802 12.6976 12.6976 k = 0.5000 0.2912-0.0000 ( 3446 PWs) bands (ev): -26.3577 -26.3577 -9.2003 -9.2003 -8.1078 -8.1078 -8.0218 -8.0218 -0.9632 -0.9632 -0.7667 -0.7667 1.4233 1.4233 1.4390 1.4390 1.4534 1.4534 1.5820 1.5820 1.6891 1.6891 1.8919 1.8919 1.9225 1.9225 1.9589 1.9589 2.0323 2.0323 2.1557 2.1557 6.7082 6.7082 6.7800 6.7800 7.8958 7.8958 8.1355 8.1355 9.3623 9.3623 9.5083 9.5083 10.2718 10.2718 10.3860 10.3860 12.8182 12.8182 k = 0.5000 0.2912-0.0000 ( 3446 PWs) bands (ev): -26.3577 -26.3577 -9.2003 -9.2003 -8.1078 -8.1078 -8.0218 -8.0218 -0.9632 -0.9632 -0.7667 -0.7667 1.4233 1.4233 1.4390 1.4390 1.4534 1.4534 1.5820 1.5820 1.6891 1.6891 1.8919 1.8919 1.9225 1.9225 1.9589 1.9589 2.0323 2.0323 2.1557 2.1557 6.7082 6.7082 6.7800 6.7800 7.8958 7.8958 8.1355 8.1355 9.3623 9.3623 9.5083 9.5083 10.2718 10.2718 10.3860 10.3860 12.8182 12.8182 k = 0.4931 0.3031 0.0137 ( 3448 PWs) bands (ev): -26.3577 -26.3577 -9.2004 -9.2004 -8.1078 -8.1078 -8.0219 -8.0219 -0.9625 -0.9625 -0.7656 -0.7656 1.4233 1.4233 1.4393 1.4393 1.4536 1.4536 1.5821 1.5821 1.6893 1.6893 1.8919 1.8919 1.9226 1.9226 1.9589 1.9589 2.0322 2.0322 2.1553 2.1553 6.6952 6.6952 6.7704 6.7704 7.9133 7.9133 8.1370 8.1370 9.3537 9.3537 9.5164 9.5164 10.2731 10.2731 10.3868 10.3868 12.7968 12.7968 k = 0.4862 0.3150 0.0275 ( 3452 PWs) bands (ev): -26.3577 -26.3577 -9.2005 -9.2005 -8.1079 -8.1079 -8.0223 -8.0223 -0.9603 -0.9603 -0.7625 -0.7625 1.4235 1.4235 1.4399 1.4399 1.4540 1.4540 1.5826 1.5826 1.6898 1.6898 1.8919 1.8919 1.9229 1.9229 1.9588 1.9588 2.0319 2.0319 2.1541 2.1541 6.6435 6.6435 6.7589 6.7589 7.9601 7.9601 8.1425 8.1425 9.3281 9.3281 9.5410 9.5410 10.2771 10.2771 10.3891 10.3891 12.7221 12.7221 k = 0.4792 0.3269 0.0412 ( 3460 PWs) bands (ev): -26.3576 -26.3576 -9.2007 -9.2007 -8.1079 -8.1079 -8.0230 -8.0230 -0.9568 -0.9568 -0.7572 -0.7572 1.4238 1.4238 1.4410 1.4410 1.4548 1.4548 1.5833 1.5833 1.6908 1.6908 1.8919 1.8919 1.9234 1.9234 1.9586 1.9586 2.0314 2.0314 2.1521 2.1521 6.5521 6.5521 6.7568 6.7568 8.0203 8.0203 8.1568 8.1568 9.2865 9.2865 9.5823 9.5823 10.2835 10.2835 10.3931 10.3931 12.6013 12.6013 k = 0.4723 0.3388 0.0550 ( 3468 PWs) bands (ev): -26.3576 -26.3576 -9.2011 -9.2011 -8.1080 -8.1080 -8.0239 -8.0239 -0.9518 -0.9518 -0.7498 -0.7498 1.4243 1.4243 1.4425 1.4425 1.4558 1.4558 1.5843 1.5843 1.6920 1.6920 1.8919 1.8919 1.9240 1.9240 1.9584 1.9584 2.0308 2.0308 2.1494 2.1494 6.4356 6.4356 6.7599 6.7599 8.0696 8.0696 8.1937 8.1937 9.2305 9.2305 9.6407 9.6407 10.2919 10.2919 10.3989 10.3989 12.4618 12.4618 k = 0.4654 0.3506 0.0687 ( 3474 PWs) bands (ev): -26.3575 -26.3575 -9.2015 -9.2015 -8.1082 -8.1082 -8.0250 -8.0250 -0.9455 -0.9455 -0.7404 -0.7404 1.4250 1.4250 1.4443 1.4443 1.4572 1.4572 1.5856 1.5856 1.6937 1.6937 1.8919 1.8919 1.9249 1.9249 1.9581 1.9581 2.0300 2.0300 2.1460 2.1460 6.3039 6.3039 6.7657 6.7657 8.0931 8.0931 8.2597 8.2597 9.1616 9.1616 9.7164 9.7164 10.3019 10.3019 10.4069 10.4069 12.3179 12.3179 k = 0.4585 0.3625 0.0825 ( 3470 PWs) bands (ev): -26.3574 -26.3574 -9.2020 -9.2020 -8.1084 -8.1084 -8.0264 -8.0264 -0.9379 -0.9379 -0.7289 -0.7289 1.4259 1.4259 1.4465 1.4465 1.4590 1.4590 1.5872 1.5872 1.6957 1.6957 1.8918 1.8918 1.9261 1.9261 1.9578 1.9578 2.0291 2.0291 2.1418 2.1418 6.1631 6.1631 6.7735 6.7735 8.1019 8.1019 8.3383 8.3383 9.0817 9.0817 9.8092 9.8092 10.3131 10.3131 10.4171 10.4171 12.1753 12.1753 k = 0.4516 0.3744 0.0962 ( 3478 PWs) bands (ev): -26.3573 -26.3573 -9.2025 -9.2025 -8.1086 -8.1086 -8.0279 -8.0279 -0.9291 -0.9291 -0.7153 -0.7153 1.4270 1.4270 1.4488 1.4488 1.4609 1.4609 1.5891 1.5891 1.6981 1.6981 1.8917 1.8917 1.9274 1.9274 1.9574 1.9574 2.0281 2.0281 2.1369 2.1369 6.0168 6.0168 6.7830 6.7830 8.1049 8.1049 8.4176 8.4176 8.9925 8.9925 9.9182 9.9182 10.3251 10.3251 10.4299 10.4299 12.0365 12.0365 k = 0.4446 0.3863 0.1100 ( 3478 PWs) bands (ev): -26.3572 -26.3572 -9.2032 -9.2032 -8.1090 -8.1090 -8.0296 -8.0296 -0.9192 -0.9192 -0.6997 -0.6997 1.4284 1.4284 1.4515 1.4515 1.4632 1.4632 1.5914 1.5914 1.7008 1.7008 1.8915 1.8915 1.9290 1.9290 1.9569 1.9569 2.0271 2.0271 2.1314 2.1314 5.8676 5.8676 6.7940 6.7940 8.1046 8.1046 8.4935 8.4935 8.8958 8.8958 10.0419 10.0419 10.3372 10.3372 10.4454 10.4454 11.9030 11.9030 k = 0.4377 0.3982 0.1237 ( 3474 PWs) bands (ev): -26.3571 -26.3571 -9.2039 -9.2039 -8.1094 -8.1094 -8.0313 -8.0313 -0.9082 -0.9082 -0.6821 -0.6821 1.4301 1.4301 1.4543 1.4543 1.4658 1.4658 1.5939 1.5939 1.7039 1.7039 1.8912 1.8912 1.9308 1.9308 1.9565 1.9565 2.0261 2.0261 2.1253 2.1253 5.7172 5.7172 6.8063 6.8063 8.1016 8.1016 8.5648 8.5648 8.7932 8.7932 10.1783 10.1783 10.3492 10.3492 10.4640 10.4640 11.7760 11.7760 k = 0.4308 0.4100 0.1375 ( 3470 PWs) bands (ev): -26.3569 -26.3569 -9.2047 -9.2047 -8.1100 -8.1100 -8.0331 -8.0331 -0.8963 -0.8963 -0.6625 -0.6625 1.4320 1.4320 1.4573 1.4573 1.4687 1.4687 1.5967 1.5967 1.7074 1.7074 1.8908 1.8908 1.9326 1.9326 1.9560 1.9560 2.0252 2.0252 2.1186 2.1186 5.5669 5.5669 6.8201 6.8201 8.0959 8.0959 8.6300 8.6300 8.6879 8.6879 10.3247 10.3247 10.3607 10.3607 10.4857 10.4857 11.6566 11.6566 k = 0.4239 0.4219 0.1512 ( 3468 PWs) bands (ev): -26.3568 -26.3568 -9.2056 -9.2056 -8.1107 -8.1107 -8.0350 -8.0350 -0.8836 -0.8836 -0.6409 -0.6409 1.4342 1.4342 1.4604 1.4604 1.4718 1.4718 1.5997 1.5997 1.7112 1.7112 1.8903 1.8903 1.9345 1.9345 1.9556 1.9556 2.0245 2.0245 2.1114 2.1114 5.4175 5.4175 6.8350 6.8350 8.0871 8.0871 8.5719 8.5719 8.6988 8.6988 10.3707 10.3707 10.4785 10.4785 10.5106 10.5106 11.5462 11.5462 k = 0.4170 0.4338 0.1650 ( 3468 PWs) bands (ev): -26.3566 -26.3566 -9.2065 -9.2065 -8.1115 -8.1115 -8.0368 -8.0368 -0.8703 -0.8703 -0.6175 -0.6175 1.4367 1.4367 1.4635 1.4635 1.4752 1.4752 1.6030 1.6030 1.7153 1.7153 1.8897 1.8897 1.9363 1.9363 1.9552 1.9552 2.0241 2.0241 2.1037 2.1037 5.2699 5.2699 6.8511 6.8511 8.0747 8.0747 8.4588 8.4588 8.7599 8.7599 10.3796 10.3796 10.5378 10.5378 10.6365 10.6365 11.4472 11.4472 k = 0.4100 0.4457 0.1787 ( 3468 PWs) bands (ev): -26.3565 -26.3565 -9.2075 -9.2075 -8.1125 -8.1125 -8.0386 -8.0386 -0.8565 -0.8565 -0.5921 -0.5921 1.4395 1.4395 1.4667 1.4667 1.4788 1.4788 1.6064 1.6064 1.7197 1.7197 1.8891 1.8891 1.9377 1.9377 1.9549 1.9549 2.0241 2.0241 2.0956 2.0956 5.1247 5.1247 6.8683 6.8683 8.0581 8.0581 8.3434 8.3434 8.8202 8.8202 10.3868 10.3868 10.5684 10.5684 10.7913 10.7913 11.3642 11.3642 k = 0.4031 0.4576 0.1925 ( 3469 PWs) bands (ev): -26.3563 -26.3563 -9.2085 -9.2085 -8.1138 -8.1138 -8.0403 -8.0403 -0.8423 -0.8423 -0.5650 -0.5650 1.4426 1.4426 1.4699 1.4699 1.4825 1.4825 1.6100 1.6100 1.7244 1.7244 1.8884 1.8884 1.9387 1.9387 1.9548 1.9548 2.0246 2.0246 2.0872 2.0872 4.9823 4.9823 6.8865 6.8865 8.0363 8.0363 8.2277 8.2277 8.8799 8.8799 10.3915 10.3915 10.6015 10.6015 10.9284 10.9284 11.3115 11.3115 k = 0.3962 0.4694 0.2062 ( 3469 PWs) bands (ev): -26.3561 -26.3561 -9.2096 -9.2096 -8.1152 -8.1152 -8.0418 -8.0418 -0.8279 -0.8279 -0.5361 -0.5361 1.4461 1.4461 1.4732 1.4732 1.4865 1.4865 1.6138 1.6138 1.7295 1.7295 1.8876 1.8876 1.9390 1.9390 1.9549 1.9549 2.0258 2.0258 2.0785 2.0785 4.8434 4.8434 6.9057 6.9057 8.0064 8.0064 8.1146 8.1146 8.9398 8.9398 10.3934 10.3934 10.6371 10.6371 11.0068 11.0068 11.3285 11.3285 k = 0.3893 0.4813 0.2200 ( 3469 PWs) bands (ev): -26.3559 -26.3559 -9.2108 -9.2108 -8.1168 -8.1168 -8.0432 -8.0432 -0.8136 -0.8136 -0.5055 -0.5055 1.4499 1.4499 1.4765 1.4765 1.4906 1.4906 1.6175 1.6175 1.7349 1.7349 1.8868 1.8868 1.9387 1.9387 1.9551 1.9551 2.0276 2.0276 2.0696 2.0696 4.7084 4.7084 6.9258 6.9258 7.9529 7.9529 8.0200 8.0200 9.0004 9.0004 10.3914 10.3914 10.6748 10.6748 11.0054 11.0054 11.4355 11.4355 k = 0.3824 0.4932 0.2337 ( 3473 PWs) bands (ev): -26.3558 -26.3558 -9.2119 -9.2119 -8.1186 -8.1186 -8.0444 -8.0444 -0.7995 -0.7995 -0.4733 -0.4733 1.4541 1.4541 1.4797 1.4797 1.4948 1.4948 1.6213 1.6213 1.7406 1.7406 1.8860 1.8860 1.9379 1.9379 1.9552 1.9552 2.0299 2.0299 2.0609 2.0609 4.5778 4.5778 6.9466 6.9466 7.8543 7.8543 7.9657 7.9657 9.0620 9.0620 10.3850 10.3850 10.7144 10.7144 10.9717 10.9717 11.5836 11.5836 k = 0.3754 0.5051 0.2475 ( 3481 PWs) bands (ev): -26.3556 -26.3556 -9.2131 -9.2131 -8.1205 -8.1205 -8.0454 -8.0454 -0.7858 -0.7858 -0.4395 -0.4395 1.4586 1.4586 1.4829 1.4829 1.4992 1.4992 1.6250 1.6250 1.7466 1.7466 1.8851 1.8851 1.9365 1.9365 1.9553 1.9553 2.0322 2.0322 2.0529 2.0529 4.4519 4.4519 6.9683 6.9683 7.7409 7.7409 7.9214 7.9214 9.1249 9.1249 10.3730 10.3730 10.7554 10.7554 10.9347 10.9347 11.7382 11.7382 k = 0.3685 0.5170 0.2612 ( 3489 PWs) bands (ev): -26.3554 -26.3554 -9.2143 -9.2143 -8.1226 -8.1226 -8.0462 -8.0462 -0.7727 -0.7727 -0.4042 -0.4042 1.4635 1.4635 1.4861 1.4861 1.5036 1.5036 1.6285 1.6285 1.7529 1.7529 1.8842 1.8842 1.9347 1.9347 1.9551 1.9551 2.0319 2.0319 2.0479 2.0479 4.3313 4.3313 6.9906 6.9906 7.6256 7.6256 7.8750 7.8750 9.1895 9.1895 10.3546 10.3546 10.7971 10.7971 10.9031 10.9031 11.7509 11.7509 k = 0.3616 0.5288 0.2750 ( 3489 PWs) bands (ev): -26.3552 -26.3552 -9.2155 -9.2155 -8.1248 -8.1248 -8.0468 -8.0468 -0.7606 -0.7606 -0.3675 -0.3675 1.4688 1.4688 1.4892 1.4892 1.5080 1.5080 1.6318 1.6318 1.7594 1.7594 1.8834 1.8834 1.9327 1.9327 1.9549 1.9549 2.0265 2.0265 2.0485 2.0485 4.2163 4.2163 7.0137 7.0137 7.5105 7.5105 7.8246 7.8246 9.2558 9.2558 10.3289 10.3289 10.8368 10.8368 10.8814 10.8814 11.6740 11.6740 k = 0.3547 0.5407 0.2887 ( 3491 PWs) bands (ev): -26.3550 -26.3550 -9.2167 -9.2167 -8.1272 -8.1272 -8.0473 -8.0473 -0.7495 -0.7495 -0.3296 -0.3296 1.4745 1.4745 1.4923 1.4923 1.5125 1.5125 1.6348 1.6348 1.7663 1.7663 1.8826 1.8826 1.9304 1.9304 1.9547 1.9547 2.0184 2.0184 2.0522 2.0522 4.1077 4.1077 7.0373 7.0373 7.3964 7.3964 7.7700 7.7700 9.3239 9.3239 10.2953 10.2953 10.8544 10.8544 10.8893 10.8893 11.6013 11.6013 k = 0.3478 0.5526 0.3025 ( 3489 PWs) bands (ev): -26.3549 -26.3549 -9.2178 -9.2178 -8.1295 -8.1295 -8.0476 -8.0476 -0.7397 -0.7397 -0.2904 -0.2904 1.4805 1.4805 1.4953 1.4953 1.5169 1.5169 1.6375 1.6375 1.7734 1.7734 1.8819 1.8819 1.9279 1.9279 1.9545 1.9545 2.0095 2.0095 2.0564 2.0564 4.0057 4.0057 7.0615 7.0615 7.2838 7.2838 7.7114 7.7114 9.3940 9.3940 10.2534 10.2534 10.8513 10.8513 10.9237 10.9237 11.5371 11.5371 k = 0.3408 0.5645 0.3162 ( 3497 PWs) bands (ev): -26.3547 -26.3547 -9.2190 -9.2190 -8.1319 -8.1319 -8.0478 -8.0478 -0.7316 -0.7316 -0.2503 -0.2503 1.4868 1.4868 1.4983 1.4983 1.5213 1.5213 1.6398 1.6398 1.7808 1.7808 1.8812 1.8812 1.9253 1.9253 1.9546 1.9546 2.0005 2.0005 2.0604 2.0604 3.9110 3.9110 7.0861 7.0861 7.1730 7.1730 7.6493 7.6493 9.4659 9.4659 10.2031 10.2031 10.8537 10.8537 10.9544 10.9544 11.4851 11.4851 k = 0.3339 0.5764 0.3300 ( 3493 PWs) bands (ev): -26.3545 -26.3545 -9.2201 -9.2201 -8.1342 -8.1342 -8.0479 -8.0479 -0.7252 -0.7252 -0.2092 -0.2092 1.4935 1.4935 1.5012 1.5012 1.5257 1.5257 1.6416 1.6416 1.7883 1.7883 1.8806 1.8806 1.9227 1.9227 1.9552 1.9552 1.9917 1.9917 2.0637 2.0637 3.8242 3.8242 7.0631 7.0631 7.1122 7.1122 7.5842 7.5842 9.5397 9.5397 10.1445 10.1445 10.8640 10.8640 10.9743 10.9743 11.4500 11.4500 k = 0.3270 0.5882 0.3437 ( 3483 PWs) bands (ev): -26.3544 -26.3544 -9.2211 -9.2211 -8.1365 -8.1365 -8.0479 -8.0479 -0.7209 -0.7209 -0.1673 -0.1673 1.5004 1.5004 1.5040 1.5040 1.5301 1.5301 1.6428 1.6428 1.7960 1.7960 1.8803 1.8803 1.9200 1.9200 1.9561 1.9561 1.9834 1.9834 2.0658 2.0658 3.7456 3.7456 6.9565 6.9565 7.1376 7.1376 7.5169 7.5169 9.6153 9.6153 10.0784 10.0784 10.8820 10.8820 10.9779 10.9779 11.4370 11.4370 k = 0.3201 0.6001 0.3574 ( 3483 PWs) bands (ev): -26.3542 -26.3542 -9.2221 -9.2221 -8.1387 -8.1387 -8.0478 -8.0478 -0.7188 -0.7188 -0.1249 -0.1249 1.5063 1.5063 1.5078 1.5078 1.5344 1.5344 1.6433 1.6433 1.8038 1.8038 1.8801 1.8801 1.9174 1.9174 1.9571 1.9571 1.9761 1.9761 2.0664 2.0664 3.6760 3.6760 6.8519 6.8519 7.1637 7.1637 7.4479 7.4479 9.6926 9.6926 10.0053 10.0053 10.9073 10.9073 10.9634 10.9634 11.4478 11.4478 k = 0.3132 0.6120 0.3712 ( 3483 PWs) bands (ev): -26.3541 -26.3541 -9.2230 -9.2230 -8.1407 -8.1407 -8.0476 -8.0476 -0.7193 -0.7193 -0.0820 -0.0820 1.5089 1.5089 1.5146 1.5146 1.5389 1.5389 1.6431 1.6431 1.8115 1.8115 1.8801 1.8801 1.9148 1.9148 1.9565 1.9565 1.9718 1.9718 2.0651 2.0651 3.6156 3.6156 6.7497 6.7497 7.1897 7.1897 7.3784 7.3784 9.7714 9.7714 9.9263 9.9263 10.9328 10.9328 10.9407 10.9407 11.4793 11.4793 k = 0.3062 0.6239 0.3849 ( 3483 PWs) bands (ev): -26.3539 -26.3539 -9.2239 -9.2239 -8.1426 -8.1426 -8.0474 -8.0474 -0.7223 -0.7223 -0.0389 -0.0389 1.5112 1.5112 1.5212 1.5212 1.5437 1.5437 1.6421 1.6421 1.8190 1.8190 1.8804 1.8804 1.9123 1.9123 1.9522 1.9522 1.9730 1.9730 2.0619 2.0619 3.5648 3.5648 6.6500 6.6500 7.2139 7.2139 7.3108 7.3108 9.8416 9.8416 9.8523 9.8523 10.8944 10.8944 10.9787 10.9787 11.5260 11.5260 k = 0.2993 0.6357 0.3987 ( 3491 PWs) bands (ev): -26.3538 -26.3538 -9.2246 -9.2246 -8.1443 -8.1443 -8.0471 -8.0471 -0.7283 -0.7283 0.0042 0.0042 1.5133 1.5133 1.5272 1.5272 1.5490 1.5490 1.6403 1.6403 1.8261 1.8261 1.8810 1.8810 1.9100 1.9100 1.9457 1.9457 1.9782 1.9782 2.0569 2.0569 3.5238 3.5238 6.5530 6.5530 7.2141 7.2141 7.2678 7.2678 9.7541 9.7541 9.9333 9.9333 10.8501 10.8501 11.0235 11.0235 11.5834 11.5834 k = 0.2924 0.6476 0.4124 ( 3485 PWs) bands (ev): -26.3537 -26.3537 -9.2253 -9.2253 -8.1458 -8.1458 -8.0469 -8.0469 -0.7372 -0.7372 0.0472 0.0472 1.5151 1.5151 1.5323 1.5323 1.5551 1.5551 1.6377 1.6377 1.8327 1.8327 1.8818 1.8818 1.9078 1.9078 1.9388 1.9388 1.9856 1.9856 2.0505 2.0505 3.4924 3.4924 6.4589 6.4589 7.1564 7.1564 7.2841 7.2841 9.6628 9.6628 10.0157 10.0157 10.8037 10.8037 11.0739 11.0739 11.6484 11.6484 k = 0.2924 0.6476 0.4124 ( 3485 PWs) bands (ev): -26.3537 -26.3537 -9.2253 -9.2253 -8.1458 -8.1458 -8.0469 -8.0469 -0.7372 -0.7372 0.0472 0.0472 1.5151 1.5151 1.5323 1.5323 1.5551 1.5551 1.6377 1.6377 1.8327 1.8327 1.8818 1.8818 1.9078 1.9078 1.9388 1.9388 1.9856 1.9856 2.0505 2.0505 3.4924 3.4924 6.4589 6.4589 7.1564 7.1564 7.2841 7.2841 9.6628 9.6628 10.0157 10.0157 10.8037 10.8037 11.0739 11.0739 11.6484 11.6484 k = 0.2752 0.6433 0.4174 ( 3487 PWs) bands (ev): -26.3537 -26.3537 -9.2255 -9.2255 -8.1463 -8.1463 -8.0468 -8.0468 -0.7420 -0.7420 0.0635 0.0635 1.5158 1.5158 1.5338 1.5338 1.5575 1.5575 1.6365 1.6365 1.8349 1.8349 1.8822 1.8822 1.9071 1.9071 1.9363 1.9363 1.9882 1.9882 2.0485 2.0485 3.4862 3.4862 6.4037 6.4037 7.1546 7.1546 7.2946 7.2946 9.6279 9.6279 10.0460 10.0460 10.7872 10.7872 11.0471 11.0471 11.7218 11.7218 k = 0.2580 0.6391 0.4224 ( 3490 PWs) bands (ev): -26.3537 -26.3537 -9.2257 -9.2257 -8.1467 -8.1467 -8.0466 -8.0466 -0.7487 -0.7487 0.0812 0.0812 1.5164 1.5164 1.5351 1.5351 1.5599 1.5599 1.6352 1.6352 1.8372 1.8372 1.8826 1.8826 1.9063 1.9063 1.9337 1.9337 1.9900 1.9900 2.0471 2.0471 3.4867 3.4867 6.3130 6.3130 7.1895 7.1895 7.3071 7.3071 9.5908 9.5908 10.0769 10.0769 10.7715 10.7715 10.9588 10.9588 11.8620 11.8620 k = 0.2408 0.6348 0.4273 ( 3491 PWs) bands (ev): -26.3536 -26.3536 -9.2259 -9.2259 -8.1471 -8.1471 -8.0465 -8.0465 -0.7566 -0.7566 0.0997 0.0997 1.5172 1.5172 1.5362 1.5362 1.5625 1.5625 1.6338 1.6338 1.8394 1.8394 1.8831 1.8831 1.9055 1.9055 1.9312 1.9312 1.9911 1.9911 2.0462 2.0462 3.4942 3.4942 6.2005 6.2005 7.2467 7.2467 7.3223 7.3223 9.5524 9.5524 10.1075 10.1075 10.7538 10.7538 10.8491 10.8491 11.9121 11.9121 k = 0.2236 0.6305 0.4323 ( 3491 PWs) bands (ev): -26.3536 -26.3536 -9.2260 -9.2260 -8.1475 -8.1475 -8.0464 -8.0464 -0.7655 -0.7655 0.1184 0.1184 1.5179 1.5179 1.5372 1.5372 1.5650 1.5650 1.6322 1.6322 1.8416 1.8416 1.8837 1.8837 1.9046 1.9046 1.9286 1.9286 1.9917 1.9917 2.0453 2.0453 3.5089 3.5089 6.0765 6.0765 7.3062 7.3062 7.3502 7.3502 9.5136 9.5136 10.1370 10.1370 10.6986 10.6986 10.7705 10.7705 11.8537 11.8537 k = 0.2064 0.6262 0.4372 ( 3483 PWs) bands (ev): -26.3536 -26.3536 -9.2262 -9.2262 -8.1479 -8.1479 -8.0463 -8.0463 -0.7748 -0.7748 0.1369 0.1369 1.5187 1.5187 1.5379 1.5379 1.5677 1.5677 1.6305 1.6305 1.8437 1.8437 1.8843 1.8843 1.9036 1.9036 1.9262 1.9262 1.9919 1.9919 2.0444 2.0444 3.5306 3.5306 5.9471 5.9471 7.3353 7.3353 7.4171 7.4171 9.4750 9.4750 10.1639 10.1639 10.5831 10.5831 10.7533 10.7533 11.7984 11.7984 k = 0.1892 0.6219 0.4422 ( 3483 PWs) bands (ev): -26.3536 -26.3536 -9.2263 -9.2263 -8.1482 -8.1482 -8.0461 -8.0461 -0.7842 -0.7842 0.1549 0.1549 1.5196 1.5196 1.5385 1.5385 1.5703 1.5703 1.6286 1.6286 1.8459 1.8459 1.8850 1.8850 1.9026 1.9026 1.9238 1.9238 1.9919 1.9919 2.0433 2.0433 3.5593 3.5593 5.8157 5.8157 7.3519 7.3519 7.5015 7.5015 9.4372 9.4372 10.1854 10.1854 10.4629 10.4629 10.7476 10.7476 11.7469 11.7469 k = 0.1720 0.6176 0.4471 ( 3483 PWs) bands (ev): -26.3536 -26.3536 -9.2264 -9.2264 -8.1484 -8.1484 -8.0460 -8.0460 -0.7936 -0.7936 0.1720 0.1720 1.5205 1.5205 1.5389 1.5389 1.5730 1.5730 1.6266 1.6266 1.8480 1.8480 1.8858 1.8858 1.9014 1.9014 1.9214 1.9214 1.9918 1.9918 2.0418 2.0418 3.5948 3.5948 5.6845 5.6845 7.3664 7.3664 7.5908 7.5908 9.4009 9.4009 10.1913 10.1913 10.3560 10.3560 10.7467 10.7467 11.6994 11.6994 k = 0.1548 0.6134 0.4521 ( 3479 PWs) bands (ev): -26.3535 -26.3535 -9.2265 -9.2265 -8.1487 -8.1487 -8.0459 -8.0459 -0.8025 -0.8025 0.1880 0.1880 1.5213 1.5213 1.5392 1.5392 1.5758 1.5758 1.6245 1.6245 1.8501 1.8501 1.8866 1.8866 1.9002 1.9002 1.9192 1.9192 1.9916 1.9916 2.0399 2.0399 3.6367 3.6367 5.5549 5.5549 7.3801 7.3801 7.6820 7.6820 9.3666 9.3666 10.1464 10.1464 10.2991 10.2991 10.7497 10.7497 11.6562 11.6562 k = 0.1376 0.6091 0.4570 ( 3483 PWs) bands (ev): -26.3535 -26.3535 -9.2266 -9.2266 -8.1489 -8.1489 -8.0458 -8.0458 -0.8110 -0.8110 0.2027 0.2027 1.5222 1.5222 1.5393 1.5393 1.5785 1.5785 1.6223 1.6223 1.8521 1.8521 1.8874 1.8874 1.8989 1.8989 1.9172 1.9172 1.9916 1.9916 2.0376 2.0376 3.6846 3.6846 5.4280 5.4280 7.3930 7.3930 7.7735 7.7735 9.3346 9.3346 10.0491 10.0491 10.2947 10.2947 10.7561 10.7561 11.6172 11.6172 k = 0.1204 0.6048 0.4620 ( 3485 PWs) bands (ev): -26.3535 -26.3535 -9.2266 -9.2266 -8.1491 -8.1491 -8.0457 -8.0457 -0.8187 -0.8187 0.2158 0.2158 1.5231 1.5231 1.5393 1.5393 1.5813 1.5813 1.6199 1.6199 1.8541 1.8541 1.8882 1.8882 1.8976 1.8976 1.9152 1.9152 1.9917 1.9917 2.0351 2.0351 3.7378 3.7378 5.3049 5.3049 7.4051 7.4051 7.8641 7.8641 9.3054 9.3054 9.9403 9.9403 10.3028 10.3028 10.7655 10.7655 11.5826 11.5826 k = 0.1032 0.6005 0.4670 ( 3488 PWs) bands (ev): -26.3535 -26.3535 -9.2267 -9.2267 -8.1493 -8.1493 -8.0456 -8.0456 -0.8257 -0.8257 0.2274 0.2274 1.5239 1.5239 1.5392 1.5392 1.5841 1.5841 1.6175 1.6175 1.8560 1.8560 1.8889 1.8889 1.8963 1.8963 1.9135 1.9135 1.9919 1.9919 2.0324 2.0324 3.7954 3.7954 5.1868 5.1868 7.4161 7.4161 7.9522 7.9522 9.2795 9.2795 9.8332 9.8332 10.3119 10.3119 10.7768 10.7768 11.5525 11.5525 k = 0.0860 0.5962 0.4719 ( 3483 PWs) bands (ev): -26.3535 -26.3535 -9.2268 -9.2268 -8.1494 -8.1494 -8.0455 -8.0455 -0.8317 -0.8317 0.2374 0.2374 1.5247 1.5247 1.5390 1.5390 1.5870 1.5870 1.6149 1.6149 1.8578 1.8578 1.8894 1.8894 1.8953 1.8953 1.9119 1.9119 1.9923 1.9923 2.0297 2.0297 3.8560 3.8560 5.0749 5.0749 7.4258 7.4258 8.0360 8.0360 9.2571 9.2571 9.7322 9.7322 10.3196 10.3196 10.7891 10.7891 11.5269 11.5269 k = 0.0688 0.5920 0.4769 ( 3481 PWs) bands (ev): -26.3535 -26.3535 -9.2268 -9.2268 -8.1495 -8.1495 -8.0454 -8.0454 -0.8367 -0.8367 0.2456 0.2456 1.5254 1.5254 1.5388 1.5388 1.5898 1.5898 1.6123 1.6123 1.8594 1.8594 1.8894 1.8894 1.8948 1.8948 1.9105 1.9105 1.9928 1.9928 2.0272 2.0272 3.9175 3.9175 4.9715 4.9715 7.4341 7.4341 8.1131 8.1131 9.2386 9.2386 9.6405 9.6405 10.3255 10.3255 10.8012 10.8012 11.5059 11.5059 k = 0.0516 0.5877 0.4818 ( 3483 PWs) bands (ev): -26.3535 -26.3535 -9.2268 -9.2268 -8.1496 -8.1496 -8.0453 -8.0453 -0.8406 -0.8406 0.2520 0.2520 1.5259 1.5259 1.5386 1.5386 1.5926 1.5926 1.6096 1.6096 1.8608 1.8608 1.8890 1.8890 1.8948 1.8948 1.9092 1.9092 1.9933 1.9933 2.0249 2.0249 3.9769 3.9769 4.8795 4.8795 7.4408 7.4408 8.1803 8.1803 9.2242 9.2242 9.5614 9.5614 10.3296 10.3296 10.8120 10.8120 11.4895 11.4895 k = 0.0344 0.5834 0.4868 ( 3487 PWs) bands (ev): -26.3535 -26.3535 -9.2268 -9.2268 -8.1497 -8.1497 -8.0453 -8.0453 -0.8435 -0.8435 0.2566 0.2566 1.5264 1.5264 1.5384 1.5384 1.5954 1.5954 1.6069 1.6069 1.8619 1.8619 1.8884 1.8884 1.8951 1.8951 1.9082 1.9082 1.9938 1.9938 2.0231 2.0231 4.0289 4.0289 4.8042 4.8042 7.4457 7.4457 8.2334 8.2334 9.2141 9.2141 9.4994 9.4994 10.3324 10.3324 10.8205 10.8205 11.4777 11.4777 k = 0.0172 0.5791 0.4917 ( 3486 PWs) bands (ev): -26.3535 -26.3535 -9.2269 -9.2269 -8.1497 -8.1497 -8.0453 -8.0453 -0.8452 -0.8452 0.2593 0.2593 1.5267 1.5267 1.5383 1.5383 1.5982 1.5982 1.6042 1.6042 1.8626 1.8626 1.8879 1.8879 1.8954 1.8954 1.9076 1.9076 1.9942 1.9942 2.0219 2.0219 4.0661 4.0661 4.7531 4.7531 7.4486 7.4486 8.2679 8.2679 9.2083 9.2083 9.4593 9.4593 10.3339 10.3339 10.8259 10.8259 11.4707 11.4707 k = 0.0000 0.5748 0.4967 ( 3486 PWs) bands (ev): -26.3535 -26.3535 -9.2269 -9.2269 -8.1497 -8.1497 -8.0453 -8.0453 -0.8458 -0.8458 0.2603 0.2603 1.5268 1.5268 1.5383 1.5383 1.6002 1.6002 1.6022 1.6022 1.8629 1.8629 1.8877 1.8877 1.8956 1.8956 1.9074 1.9074 1.9943 1.9943 2.0215 2.0215 4.0799 4.0799 4.7347 4.7347 7.4496 7.4496 8.2799 8.2799 9.2064 9.2064 9.4453 9.4453 10.3344 10.3344 10.8277 10.8277 11.4683 11.4683 k = 0.0000 0.5748 0.4967 ( 3486 PWs) bands (ev): -26.3535 -26.3535 -9.2269 -9.2269 -8.1497 -8.1497 -8.0453 -8.0453 -0.8458 -0.8458 0.2603 0.2603 1.5268 1.5268 1.5383 1.5383 1.6002 1.6002 1.6022 1.6022 1.8629 1.8629 1.8877 1.8877 1.8956 1.8956 1.9074 1.9074 1.9943 1.9943 2.0215 2.0215 4.0799 4.0799 4.7347 4.7347 7.4496 7.4496 8.2799 8.2799 9.2064 9.2064 9.4453 9.4453 10.3344 10.3344 10.8277 10.8277 11.4683 11.4683 k = 0.0069 0.5629 0.5105 ( 3488 PWs) bands (ev): -26.3535 -26.3535 -9.2269 -9.2269 -8.1496 -8.1496 -8.0454 -8.0454 -0.8456 -0.8456 0.2611 0.2611 1.5257 1.5257 1.5391 1.5391 1.5980 1.5980 1.6044 1.6044 1.8623 1.8623 1.8875 1.8875 1.8956 1.8956 1.9079 1.9079 1.9945 1.9945 2.0223 2.0223 4.0799 4.0799 4.7357 4.7357 7.4441 7.4441 8.2758 8.2758 9.1708 9.1708 9.4498 9.4498 10.3701 10.3701 10.8344 10.8344 11.4736 11.4736 k = 0.0139 0.5510 0.5243 ( 3488 PWs) bands (ev): -26.3534 -26.3534 -9.2269 -9.2269 -8.1495 -8.1495 -8.0459 -8.0459 -0.8449 -0.8449 0.2638 0.2638 1.5230 1.5230 1.5409 1.5409 1.5953 1.5953 1.6073 1.6073 1.8606 1.8606 1.8867 1.8867 1.8962 1.8962 1.9092 1.9092 1.9949 1.9949 2.0248 2.0248 4.0802 4.0802 4.7388 4.7388 7.4276 7.4276 8.2637 8.2637 9.0780 9.0780 9.4587 9.4587 10.4672 10.4672 10.8542 10.8542 11.4894 11.4894 k = 0.0208 0.5391 0.5381 ( 3486 PWs) bands (ev): -26.3534 -26.3534 -9.2270 -9.2270 -8.1492 -8.1492 -8.0466 -8.0466 -0.8438 -0.8438 0.2681 0.2681 1.5197 1.5197 1.5427 1.5427 1.5929 1.5929 1.6101 1.6101 1.8582 1.8582 1.8851 1.8851 1.8975 1.8975 1.9110 1.9110 1.9957 1.9957 2.0289 2.0289 4.0806 4.0806 4.7437 4.7437 7.4008 7.4008 8.2438 8.2438 8.9513 8.9513 9.4682 9.4682 10.6067 10.6067 10.8866 10.8866 11.5154 11.5154 k = 0.0278 0.5271 0.5519 ( 3484 PWs) bands (ev): -26.3533 -26.3533 -9.2272 -9.2272 -8.1487 -8.1487 -8.0477 -8.0477 -0.8423 -0.8423 0.2742 0.2742 1.5160 1.5160 1.5439 1.5439 1.5910 1.5910 1.6128 1.6128 1.8552 1.8552 1.8829 1.8829 1.8995 1.8995 1.9132 1.9132 1.9970 1.9970 2.0342 2.0342 4.0812 4.0812 4.7505 4.7505 7.3644 7.3644 8.2164 8.2164 8.8066 8.8066 9.4781 9.4781 10.7726 10.7726 10.9304 10.9304 11.5514 11.5514 k = 0.0347 0.5152 0.5657 ( 3482 PWs) bands (ev): -26.3533 -26.3533 -9.2274 -9.2274 -8.1482 -8.1482 -8.0490 -8.0490 -0.8403 -0.8403 0.2820 0.2820 1.5121 1.5121 1.5441 1.5441 1.5901 1.5901 1.6154 1.6154 1.8518 1.8518 1.8804 1.8804 1.9019 1.9019 1.9157 1.9157 1.9986 1.9986 2.0407 2.0407 4.0819 4.0819 4.7590 4.7590 7.3194 7.3194 8.1822 8.1822 8.6530 8.6530 9.4888 9.4888 10.9547 10.9547 10.9850 10.9850 11.5968 11.5968 k = 0.0417 0.5033 0.5795 ( 3484 PWs) bands (ev): -26.3532 -26.3532 -9.2276 -9.2276 -8.1475 -8.1475 -8.0506 -8.0506 -0.8380 -0.8380 0.2914 0.2914 1.5081 1.5081 1.5431 1.5431 1.5902 1.5902 1.6179 1.6179 1.8482 1.8482 1.8776 1.8776 1.9045 1.9045 1.9183 1.9183 2.0006 2.0006 2.0483 2.0483 4.0828 4.0828 4.7691 4.7691 7.2669 7.2669 8.1414 8.1414 8.4960 8.4960 9.5005 9.5005 11.0460 11.0460 11.1502 11.1502 11.6510 11.6510 k = 0.0486 0.4914 0.5933 ( 3472 PWs) bands (ev): -26.3531 -26.3531 -9.2278 -9.2278 -8.1468 -8.1468 -8.0524 -8.0524 -0.8352 -0.8352 0.3024 0.3024 1.5041 1.5041 1.5410 1.5410 1.5914 1.5914 1.6202 1.6202 1.8445 1.8445 1.8747 1.8747 1.9073 1.9073 1.9213 1.9213 2.0030 2.0030 2.0568 2.0568 4.0839 4.0839 4.7804 4.7804 7.2081 7.2081 8.0943 8.0943 8.3394 8.3394 9.5134 9.5134 11.1154 11.1154 11.3521 11.3521 11.7134 11.7134 k = 0.0556 0.4794 0.6071 ( 3472 PWs) bands (ev): -26.3530 -26.3530 -9.2281 -9.2281 -8.1459 -8.1459 -8.0545 -8.0545 -0.8321 -0.8321 0.3149 0.3149 1.5000 1.5000 1.5377 1.5377 1.5935 1.5935 1.6226 1.6226 1.8408 1.8408 1.8719 1.8719 1.9103 1.9103 1.9245 1.9245 2.0055 2.0055 2.0662 2.0662 4.0852 4.0852 4.7927 4.7927 7.1440 7.1440 8.0398 8.0398 8.1871 8.1871 9.5272 9.5272 11.1899 11.1899 11.5601 11.5601 11.7832 11.7832 k = 0.0625 0.4675 0.6209 ( 3478 PWs) bands (ev): -26.3529 -26.3529 -9.2285 -9.2285 -8.1449 -8.1449 -8.0568 -8.0568 -0.8286 -0.8286 0.3288 0.3288 1.4958 1.4958 1.5336 1.5336 1.5962 1.5962 1.6249 1.6249 1.8372 1.8372 1.8690 1.8690 1.9133 1.9133 1.9278 1.9278 2.0083 2.0083 2.0763 2.0763 4.0867 4.0867 4.8057 4.8057 7.0759 7.0759 7.9683 7.9683 8.0507 8.0507 9.5417 9.5417 11.2682 11.2682 11.7723 11.7723 11.8595 11.8595 k = 0.0694 0.4556 0.6347 ( 3482 PWs) bands (ev): -26.3527 -26.3527 -9.2289 -9.2289 -8.1439 -8.1439 -8.0593 -8.0593 -0.8248 -0.8248 0.3441 0.3441 1.4917 1.4917 1.5288 1.5288 1.5995 1.5995 1.6273 1.6273 1.8336 1.8336 1.8662 1.8662 1.9164 1.9164 1.9314 1.9314 2.0111 2.0111 2.0872 2.0872 4.0884 4.0884 4.8189 4.8189 7.0048 7.0048 7.8533 7.8533 7.9588 7.9588 9.5565 9.5565 11.3486 11.3486 11.9395 11.9395 11.9897 11.9897 k = 0.0764 0.4437 0.6485 ( 3478 PWs) bands (ev): -26.3526 -26.3526 -9.2293 -9.2293 -8.1428 -8.1428 -8.0619 -8.0619 -0.8208 -0.8208 0.3606 0.3606 1.4875 1.4875 1.5235 1.5235 1.6031 1.6031 1.6300 1.6300 1.8302 1.8302 1.8636 1.8636 1.9197 1.9197 1.9352 1.9352 2.0140 2.0140 2.0988 2.0988 4.0903 4.0903 4.8318 4.8318 6.9314 6.9314 7.7164 7.7164 7.8913 7.8913 9.5712 9.5712 11.4302 11.4302 12.0255 12.0255 12.2077 12.2077 k = 0.0833 0.4318 0.6623 ( 3478 PWs) bands (ev): -26.3524 -26.3524 -9.2297 -9.2297 -8.1416 -8.1416 -8.0647 -8.0647 -0.8164 -0.8164 0.3782 0.3782 1.4833 1.4833 1.5179 1.5179 1.6068 1.6068 1.6330 1.6330 1.8269 1.8269 1.8610 1.8610 1.9230 1.9230 1.9390 1.9390 2.0169 2.0169 2.1111 2.1111 4.0923 4.0923 4.8437 4.8437 6.8566 6.8566 7.5801 7.5801 7.8273 7.8273 9.5852 9.5852 11.5117 11.5117 12.1135 12.1135 12.4279 12.4279 k = 0.0903 0.4198 0.6761 ( 3480 PWs) bands (ev): -26.3523 -26.3523 -9.2302 -9.2302 -8.1404 -8.1404 -8.0677 -8.0677 -0.8118 -0.8118 0.3969 0.3969 1.4791 1.4791 1.5121 1.5121 1.6104 1.6104 1.6364 1.6364 1.8239 1.8239 1.8585 1.8585 1.9266 1.9266 1.9430 1.9430 2.0197 2.0197 2.1241 2.1241 4.0946 4.0946 4.8541 4.8541 6.7812 6.7812 7.4492 7.4492 7.7636 7.7636 9.5979 9.5979 11.5924 11.5924 12.2023 12.2023 12.6319 12.6319 k = 0.0972 0.4079 0.6899 ( 3482 PWs) bands (ev): -26.3521 -26.3521 -9.2307 -9.2307 -8.1391 -8.1391 -8.0707 -8.0707 -0.8071 -0.8071 0.4164 0.4164 1.4749 1.4749 1.5061 1.5061 1.6140 1.6140 1.6403 1.6403 1.8210 1.8210 1.8562 1.8562 1.9302 1.9302 1.9471 1.9471 2.0224 2.0224 2.1378 2.1378 4.0971 4.0971 4.8622 4.8622 6.7058 6.7058 7.3255 7.3255 7.6997 7.6997 9.6086 9.6086 11.6715 11.6715 12.2902 12.2902 12.5371 12.5371 k = 0.1042 0.3960 0.7037 ( 3484 PWs) bands (ev): -26.3519 -26.3519 -9.2312 -9.2312 -8.1378 -8.1378 -8.0738 -8.0738 -0.8021 -0.8021 0.4366 0.4366 1.4706 1.4706 1.5000 1.5000 1.6174 1.6174 1.6447 1.6447 1.8183 1.8183 1.8539 1.8539 1.9340 1.9340 1.9512 1.9512 2.0250 2.0250 2.1523 2.1523 4.0999 4.0999 4.8670 4.8670 6.6309 6.6309 7.2102 7.2102 7.6359 7.6359 9.6164 9.6164 11.7484 11.7484 12.3740 12.3740 12.4363 12.4363 k = 0.1111 0.3841 0.7175 ( 3490 PWs) bands (ev): -26.3517 -26.3517 -9.2318 -9.2318 -8.1365 -8.1365 -8.0769 -8.0769 -0.7971 -0.7971 0.4575 0.4575 1.4664 1.4664 1.4939 1.4939 1.6208 1.6208 1.6497 1.6497 1.8157 1.8157 1.8517 1.8517 1.9379 1.9379 1.9553 1.9553 2.0273 2.0273 2.1675 2.1675 4.1028 4.1028 4.8676 4.8676 6.5570 6.5570 7.1046 7.1046 7.5726 7.5726 9.6207 9.6207 11.8227 11.8227 12.3381 12.3381 12.4605 12.4605 k = 0.1181 0.3721 0.7313 ( 3488 PWs) bands (ev): -26.3516 -26.3516 -9.2323 -9.2323 -8.1351 -8.1351 -8.0800 -8.0800 -0.7919 -0.7919 0.4787 0.4787 1.4622 1.4622 1.4878 1.4878 1.6240 1.6240 1.6552 1.6552 1.8134 1.8134 1.8496 1.8496 1.9419 1.9419 1.9594 1.9594 2.0295 2.0295 2.1836 2.1836 4.1059 4.1059 4.8633 4.8633 6.4846 6.4846 7.0095 7.0095 7.5099 7.5099 9.6205 9.6205 11.8938 11.8938 12.2553 12.2553 12.5372 12.5372 k = 0.1250 0.3602 0.7451 ( 3482 PWs) bands (ev): -26.3514 -26.3514 -9.2329 -9.2329 -8.1338 -8.1338 -8.0831 -8.0831 -0.7867 -0.7867 0.5002 0.5002 1.4580 1.4580 1.4818 1.4818 1.6273 1.6273 1.6612 1.6612 1.8112 1.8112 1.8476 1.8476 1.9460 1.9460 1.9635 1.9635 2.0315 2.0315 2.2006 2.2006 4.1092 4.1092 4.8530 4.8530 6.4140 6.4140 6.9259 6.9259 7.4484 7.4484 9.6151 9.6151 11.9613 11.9613 12.1835 12.1835 12.6090 12.6090 k = 0.1319 0.3483 0.7588 ( 3484 PWs) bands (ev): -26.3512 -26.3512 -9.2335 -9.2335 -8.1326 -8.1326 -8.0861 -8.0861 -0.7815 -0.7815 0.5217 0.5217 1.4539 1.4539 1.4759 1.4759 1.6306 1.6306 1.6676 1.6676 1.8092 1.8092 1.8456 1.8456 1.9501 1.9501 1.9675 1.9675 2.0333 2.0333 2.2184 2.2184 4.1127 4.1127 4.8360 4.8360 6.3455 6.3455 6.8545 6.8545 7.3884 7.3884 9.6039 9.6039 12.0245 12.0245 12.1241 12.1241 12.6751 12.6751 k = 0.1389 0.3364 0.7726 ( 3484 PWs) bands (ev): -26.3510 -26.3510 -9.2341 -9.2341 -8.1314 -8.1314 -8.0891 -8.0891 -0.7763 -0.7763 0.5431 0.5431 1.4498 1.4498 1.4701 1.4701 1.6340 1.6340 1.6744 1.6744 1.8073 1.8073 1.8436 1.8436 1.9543 1.9543 1.9714 1.9714 2.0348 2.0348 2.2372 2.2372 4.1163 4.1163 4.8121 4.8121 6.2796 6.2796 6.7957 6.7957 7.3301 7.3301 9.5864 9.5864 12.0710 12.0710 12.0900 12.0900 12.7356 12.7356 k = 0.1458 0.3245 0.7864 ( 3482 PWs) bands (ev): -26.3508 -26.3508 -9.2347 -9.2347 -8.1303 -8.1303 -8.0919 -8.0919 -0.7712 -0.7712 0.5642 0.5642 1.4458 1.4458 1.4644 1.4644 1.6374 1.6374 1.6814 1.6814 1.8055 1.8055 1.8416 1.8416 1.9585 1.9585 1.9752 1.9752 2.0361 2.0361 2.2569 2.2569 4.1200 4.1200 4.7809 4.7809 6.2164 6.2164 6.7496 6.7496 7.2739 7.2739 9.5624 9.5624 12.0419 12.0419 12.1400 12.1400 12.7908 12.7908 k = 0.1528 0.3125 0.8002 ( 3484 PWs) bands (ev): -26.3507 -26.3507 -9.2353 -9.2353 -8.1293 -8.1293 -8.0945 -8.0945 -0.7662 -0.7662 0.5848 0.5848 1.4419 1.4419 1.4590 1.4590 1.6410 1.6410 1.6887 1.6887 1.8038 1.8038 1.8396 1.8396 1.9627 1.9627 1.9788 1.9788 2.0372 2.0372 2.2776 2.2776 4.1239 4.1239 4.7429 4.7429 6.1562 6.1562 6.7157 6.7157 7.2200 7.2200 9.5320 9.5320 12.0218 12.0218 12.1895 12.1895 12.8413 12.8413 k = 0.1597 0.3006 0.8140 ( 3484 PWs) bands (ev): -26.3505 -26.3505 -9.2359 -9.2359 -8.1284 -8.1284 -8.0969 -8.0969 -0.7613 -0.7613 0.6048 0.6048 1.4382 1.4382 1.4538 1.4538 1.6447 1.6447 1.6962 1.6962 1.8022 1.8022 1.8376 1.8376 1.9669 1.9669 1.9823 1.9823 2.0380 2.0380 2.2992 2.2992 4.1277 4.1277 4.6988 4.6988 6.0992 6.0992 6.6934 6.6934 7.1687 7.1687 9.4958 9.4958 12.0143 12.0143 12.2342 12.2342 12.8878 12.8878 k = 0.1667 0.2887 0.8278 ( 3490 PWs) bands (ev): -26.3503 -26.3503 -9.2365 -9.2365 -8.1277 -8.1277 -8.0991 -8.0991 -0.7567 -0.7567 0.6239 0.6239 1.4346 1.4346 1.4488 1.4488 1.6484 1.6484 1.7037 1.7037 1.8007 1.8007 1.8354 1.8354 1.9710 1.9710 1.9856 1.9856 2.0386 2.0386 2.3216 2.3216 4.1317 4.1317 4.6495 4.6495 6.0456 6.0456 6.6816 6.6816 7.1202 7.1202 9.4544 9.4544 12.0191 12.0191 12.2739 12.2739 12.9308 12.9308 k = 0.1736 0.2768 0.8416 ( 3496 PWs) bands (ev): -26.3502 -26.3502 -9.2371 -9.2371 -8.1272 -8.1272 -8.1010 -8.1010 -0.7522 -0.7522 0.6420 0.6420 1.4311 1.4311 1.4442 1.4442 1.6521 1.6521 1.7113 1.7113 1.7993 1.7993 1.8332 1.8332 1.9751 1.9751 1.9887 1.9887 2.0390 2.0390 2.3448 2.3448 4.1355 4.1355 4.5963 4.5963 5.9957 5.9957 6.6788 6.6788 7.0748 7.0748 9.4090 9.4090 12.0351 12.0351 12.3087 12.3087 12.9708 12.9708 k = 0.1806 0.2648 0.8554 ( 3492 PWs) bands (ev): -26.3501 -26.3501 -9.2376 -9.2376 -8.1269 -8.1269 -8.1026 -8.1026 -0.7480 -0.7480 0.6590 0.6590 1.4279 1.4279 1.4398 1.4398 1.6559 1.6559 1.7189 1.7189 1.7980 1.7980 1.8309 1.8309 1.9790 1.9790 1.9915 1.9915 2.0392 2.0392 2.3684 2.3684 4.1394 4.1394 4.5406 4.5406 5.9494 5.9494 6.6837 6.6837 7.0327 7.0327 9.3607 9.3607 12.0613 12.0613 12.3388 12.3388 13.0078 13.0078 k = 0.1875 0.2529 0.8692 ( 3494 PWs) bands (ev): -26.3499 -26.3499 -9.2381 -9.2381 -8.1268 -8.1268 -8.1039 -8.1039 -0.7441 -0.7441 0.6748 0.6748 1.4249 1.4249 1.4358 1.4358 1.6595 1.6595 1.7263 1.7263 1.7967 1.7967 1.8285 1.8285 1.9827 1.9827 1.9942 1.9942 2.0393 2.0393 2.3924 2.3924 4.1430 4.1430 4.4840 4.4840 5.9071 5.9071 6.6945 6.6945 6.9940 6.9940 9.3108 9.3108 12.0962 12.0962 12.3645 12.3645 13.0421 13.0421 k = 0.1944 0.2410 0.8830 ( 3492 PWs) bands (ev): -26.3498 -26.3498 -9.2386 -9.2386 -8.1269 -8.1269 -8.1048 -8.1048 -0.7406 -0.7406 0.6891 0.6891 1.4221 1.4221 1.4321 1.4321 1.6631 1.6631 1.7336 1.7336 1.7956 1.7956 1.8259 1.8259 1.9863 1.9863 1.9966 1.9966 2.0391 2.0391 2.4162 2.4162 4.1465 4.1465 4.4280 4.4280 5.8688 5.8688 6.7097 6.7097 6.9589 6.9589 9.2609 9.2609 12.1383 12.1383 12.3862 12.3862 13.0736 13.0736 k = 0.2014 0.2291 0.8968 ( 3492 PWs) bands (ev): -26.3497 -26.3497 -9.2390 -9.2390 -8.1272 -8.1272 -8.1055 -8.1055 -0.7373 -0.7373 0.7020 0.7020 1.4196 1.4196 1.4289 1.4289 1.6664 1.6664 1.7406 1.7406 1.7946 1.7946 1.8232 1.8232 1.9896 1.9896 1.9988 1.9988 2.0388 2.0388 2.4395 2.4395 4.1498 4.1498 4.3740 4.3740 5.8347 5.8347 6.7277 6.7277 6.9277 6.9277 9.2122 9.2122 12.1859 12.1859 12.4042 12.4042 13.1019 13.1019 k = 0.2083 0.2172 0.9106 ( 3494 PWs) bands (ev): -26.3496 -26.3496 -9.2394 -9.2394 -8.1276 -8.1276 -8.1059 -8.1059 -0.7345 -0.7345 0.7133 0.7133 1.4174 1.4174 1.4260 1.4260 1.6695 1.6695 1.7472 1.7472 1.7938 1.7938 1.8203 1.8203 1.9927 1.9927 2.0006 2.0006 2.0385 2.0385 2.4618 2.4618 4.1527 4.1527 4.3234 4.3234 5.8049 5.8049 6.7470 6.7470 6.9004 6.9004 9.1664 9.1664 12.2368 12.2368 12.4190 12.4190 13.1271 13.1271 k = 0.2153 0.2052 0.9244 ( 3494 PWs) bands (ev): -26.3495 -26.3495 -9.2397 -9.2397 -8.1280 -8.1280 -8.1062 -8.1062 -0.7320 -0.7320 0.7230 0.7230 1.4155 1.4155 1.4235 1.4235 1.6723 1.6723 1.7533 1.7533 1.7934 1.7934 1.8172 1.8172 1.9955 1.9955 2.0022 2.0022 2.0380 2.0380 2.4823 2.4823 4.1552 4.1552 4.2778 4.2778 5.7795 5.7795 6.7661 6.7661 6.8772 6.8772 9.1247 9.1247 12.2888 12.2888 12.4311 12.4311 13.1487 13.1487 k = 0.2222 0.1933 0.9382 ( 3492 PWs) bands (ev): -26.3494 -26.3494 -9.2400 -9.2400 -8.1285 -8.1285 -8.1063 -8.1063 -0.7300 -0.7300 0.7309 0.7309 1.4139 1.4139 1.4215 1.4215 1.6746 1.6746 1.7587 1.7587 1.7933 1.7933 1.8140 1.8140 1.9979 1.9979 2.0035 2.0035 2.0375 2.0375 2.5004 2.5004 4.1573 4.1573 4.2385 4.2385 5.7586 5.7586 6.7835 6.7835 6.8584 6.8584 9.0885 9.0885 12.3389 12.3389 12.4407 12.4407 13.1668 13.1668 k = 0.2292 0.1814 0.9520 ( 3490 PWs) bands (ev): -26.3494 -26.3494 -9.2402 -9.2402 -8.1289 -8.1289 -8.1064 -8.1064 -0.7284 -0.7284 0.7372 0.7372 1.4126 1.4126 1.4199 1.4199 1.6766 1.6766 1.7633 1.7633 1.7937 1.7937 1.8108 1.8108 1.9998 1.9998 2.0045 2.0045 2.0371 2.0371 2.5154 2.5154 4.1587 4.1587 4.2066 4.2066 5.7422 5.7422 6.7977 6.7977 6.8444 6.8444 9.0590 9.0590 12.3834 12.3834 12.4485 12.4485 13.1810 13.1810 k = 0.2361 0.1695 0.9658 ( 3488 PWs) bands (ev): -26.3493 -26.3493 -9.2404 -9.2404 -8.1292 -8.1292 -8.1064 -8.1064 -0.7272 -0.7272 0.7417 0.7417 1.4117 1.4117 1.4187 1.4187 1.6780 1.6780 1.7666 1.7666 1.7948 1.7948 1.8075 1.8075 2.0013 2.0013 2.0052 2.0052 2.0367 2.0367 2.5267 2.5267 4.1591 4.1591 4.1837 4.1837 5.7305 5.7305 6.8071 6.8071 6.8359 6.8359 9.0371 9.0371 12.4179 12.4179 12.4555 12.4555 13.1913 13.1913 k = 0.2431 0.1575 0.9796 ( 3486 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1294 -8.1294 -8.1064 -8.1064 -0.7265 -0.7265 0.7444 0.7444 1.4112 1.4112 1.4181 1.4181 1.6788 1.6788 1.7687 1.7687 1.7963 1.7963 1.8046 1.8046 2.0023 2.0023 2.0056 2.0056 2.0365 2.0365 2.5338 2.5338 4.1576 4.1576 4.1714 4.1714 5.7234 5.7234 6.8107 6.8107 6.8332 6.8332 9.0237 9.0237 12.4372 12.4372 12.4630 12.4630 13.1975 13.1975 k = 0.2500 0.1456 0.9934 ( 3484 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7263 -0.7263 0.7453 0.7453 1.4110 1.4110 1.4178 1.4178 1.6791 1.6791 1.7694 1.7694 1.7973 1.7973 1.8032 1.8032 2.0026 2.0026 2.0057 2.0057 2.0364 2.0364 2.5362 2.5362 4.1559 4.1559 4.1685 4.1685 5.7211 5.7211 6.8111 6.8111 6.8332 6.8332 9.0191 9.0191 12.4423 12.4423 12.4672 12.4672 13.1996 13.1996 k = 0.2500 0.1456 0.9934 ( 3484 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7263 -0.7263 0.7453 0.7453 1.4110 1.4110 1.4178 1.4178 1.6791 1.6791 1.7694 1.7694 1.7973 1.7973 1.8032 1.8032 2.0026 2.0026 2.0057 2.0057 2.0364 2.0364 2.5362 2.5362 4.1559 4.1559 4.1685 4.1685 5.7211 5.7211 6.8111 6.8111 6.8332 6.8332 9.0191 9.0191 12.4423 12.4423 12.4672 12.4672 13.1996 13.1996 k = 0.2639 0.1537 0.9840 ( 3488 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1294 -8.1294 -8.1064 -8.1064 -0.7264 -0.7264 0.7451 0.7451 1.4110 1.4110 1.4178 1.4178 1.6790 1.6790 1.7693 1.7693 1.7970 1.7970 1.8036 1.8036 2.0025 2.0025 2.0057 2.0057 2.0362 2.0362 2.5362 2.5362 4.1544 4.1544 4.1713 4.1713 5.7199 5.7199 6.7858 6.7858 6.8590 6.8590 9.0249 9.0249 12.3483 12.3483 12.5612 12.5612 13.1696 13.1696 k = 0.2778 0.1618 0.9747 ( 3492 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1294 -8.1294 -8.1064 -8.1064 -0.7265 -0.7265 0.7443 0.7443 1.4112 1.4112 1.4180 1.4180 1.6786 1.6786 1.7687 1.7687 1.7964 1.7964 1.8044 1.8044 2.0023 2.0023 2.0056 2.0056 2.0357 2.0357 2.5361 2.5361 4.1514 4.1514 4.1784 4.1784 5.7160 5.7160 6.7518 6.7518 6.8950 6.8950 9.0417 9.0417 12.2461 12.2461 12.6626 12.6626 13.0934 13.0934 k = 0.2917 0.1699 0.9653 ( 3492 PWs) bands (ev): -26.3493 -26.3493 -9.2404 -9.2404 -8.1293 -8.1293 -8.1064 -8.1064 -0.7266 -0.7266 0.7430 0.7430 1.4114 1.4114 1.4183 1.4183 1.6780 1.6780 1.7679 1.7679 1.7957 1.7957 1.8056 1.8056 2.0020 2.0020 2.0054 2.0054 2.0350 2.0350 2.5354 2.5354 4.1484 4.1484 4.1893 4.1893 5.7090 5.7090 6.7183 6.7183 6.9324 6.9324 9.0689 9.0689 12.1469 12.1469 12.7560 12.7560 12.9959 12.9959 k = 0.3056 0.1780 0.9560 ( 3488 PWs) bands (ev): -26.3493 -26.3493 -9.2404 -9.2404 -8.1292 -8.1292 -8.1064 -8.1064 -0.7267 -0.7267 0.7410 0.7410 1.4116 1.4116 1.4188 1.4188 1.6773 1.6773 1.7669 1.7669 1.7951 1.7951 1.8067 1.8067 2.0015 2.0015 2.0052 2.0052 2.0341 2.0341 2.5337 2.5337 4.1456 4.1456 4.2040 4.2040 5.6988 5.6988 6.6862 6.6862 6.9705 6.9705 9.1057 9.1057 12.0513 12.0513 12.8001 12.8001 12.9316 12.9316 k = 0.3194 0.1861 0.9466 ( 3490 PWs) bands (ev): -26.3494 -26.3494 -9.2403 -9.2403 -8.1291 -8.1291 -8.1064 -8.1064 -0.7267 -0.7267 0.7382 0.7382 1.4119 1.4119 1.4194 1.4194 1.6762 1.6762 1.7657 1.7657 1.7946 1.7946 1.8079 1.8079 2.0009 2.0009 2.0050 2.0050 2.0331 2.0331 2.5308 2.5308 4.1434 4.1434 4.2228 4.2228 5.6854 5.6854 6.6560 6.6560 7.0090 7.0090 9.1511 9.1511 11.9597 11.9597 12.7123 12.7123 12.9896 12.9896 k = 0.3333 0.1942 0.9372 ( 3491 PWs) bands (ev): -26.3494 -26.3494 -9.2403 -9.2403 -8.1289 -8.1289 -8.1064 -8.1064 -0.7265 -0.7265 0.7345 0.7345 1.4121 1.4121 1.4203 1.4203 1.6750 1.6750 1.7644 1.7644 1.7943 1.7943 1.8089 1.8089 2.0002 2.0002 2.0047 2.0047 2.0321 2.0321 2.5262 2.5262 4.1417 4.1417 4.2460 4.2460 5.6689 5.6689 6.6283 6.6283 7.0477 7.0477 9.2040 9.2040 11.8726 11.8726 12.5892 12.5892 13.0771 13.0771 k = 0.3472 0.2023 0.9279 ( 3488 PWs) bands (ev): -26.3494 -26.3494 -9.2402 -9.2402 -8.1287 -8.1287 -8.1064 -8.1064 -0.7261 -0.7261 0.7299 0.7299 1.4124 1.4124 1.4215 1.4215 1.6737 1.6737 1.7630 1.7630 1.7941 1.7941 1.8099 1.8099 1.9993 1.9993 2.0045 2.0045 2.0313 2.0313 2.5198 2.5198 4.1406 4.1406 4.2737 4.2737 5.6495 5.6495 6.6034 6.6034 7.0863 7.0863 9.2631 9.2631 11.7904 11.7904 12.4614 12.4614 13.1662 13.1662 k = 0.3611 0.2103 0.9185 ( 3487 PWs) bands (ev): -26.3494 -26.3494 -9.2401 -9.2401 -8.1285 -8.1285 -8.1065 -8.1065 -0.7255 -0.7255 0.7244 0.7244 1.4127 1.4127 1.4228 1.4228 1.6722 1.6722 1.7616 1.7616 1.7941 1.7941 1.8108 1.8108 1.9984 1.9984 2.0042 2.0042 2.0305 2.0305 2.5115 2.5115 4.1402 4.1402 4.3060 4.3060 5.6277 5.6277 6.5815 6.5815 7.1244 7.1244 9.3271 9.3271 11.7134 11.7134 12.3343 12.3343 13.2534 13.2534 k = 0.3750 0.2184 0.9091 ( 3490 PWs) bands (ev): -26.3495 -26.3495 -9.2400 -9.2400 -8.1282 -8.1282 -8.1065 -8.1065 -0.7247 -0.7247 0.7179 0.7179 1.4129 1.4129 1.4243 1.4243 1.6706 1.6706 1.7601 1.7601 1.7941 1.7941 1.8116 1.8116 1.9973 1.9973 2.0039 2.0039 2.0300 2.0300 2.5012 2.5012 4.1405 4.1405 4.3427 4.3427 5.6041 5.6041 6.5628 6.5628 7.1617 7.1617 9.3945 9.3945 11.6421 11.6421 12.2104 12.2104 13.3377 13.3377 k = 0.3889 0.2265 0.8998 ( 3494 PWs) bands (ev): -26.3495 -26.3495 -9.2398 -9.2398 -8.1279 -8.1279 -8.1065 -8.1065 -0.7236 -0.7236 0.7103 0.7103 1.4132 1.4132 1.4260 1.4260 1.6689 1.6689 1.7586 1.7586 1.7943 1.7943 1.8123 1.8123 1.9961 1.9961 2.0037 2.0037 2.0296 2.0296 2.4888 2.4888 4.1414 4.1414 4.3837 4.3837 5.5792 5.5792 6.5471 6.5471 7.1979 7.1979 9.4636 9.4636 11.5769 11.5769 12.0918 12.0918 13.4187 13.4187 k = 0.4028 0.2346 0.8904 ( 3494 PWs) bands (ev): -26.3495 -26.3495 -9.2397 -9.2397 -8.1276 -8.1276 -8.1066 -8.1066 -0.7222 -0.7222 0.7018 0.7018 1.4136 1.4136 1.4279 1.4279 1.6672 1.6672 1.7572 1.7572 1.7945 1.7945 1.8130 1.8130 1.9949 1.9949 2.0034 2.0034 2.0296 2.0296 2.4745 2.4745 4.1431 4.1431 4.4288 4.4288 5.5537 5.5537 6.5346 6.5346 7.2328 7.2328 9.5326 9.5326 11.5181 11.5181 11.9806 11.9806 13.4961 13.4961 k = 0.4167 0.2427 0.8811 ( 3495 PWs) bands (ev): -26.3496 -26.3496 -9.2395 -9.2395 -8.1272 -8.1272 -8.1067 -8.1067 -0.7206 -0.7206 0.6922 0.6922 1.4140 1.4140 1.4299 1.4299 1.6654 1.6654 1.7557 1.7557 1.7949 1.7949 1.8136 1.8136 1.9936 1.9936 2.0032 2.0032 2.0298 2.0298 2.4584 2.4584 4.1455 4.1455 4.4774 4.4774 5.5282 5.5282 6.5251 6.5251 7.2658 7.2658 9.5995 9.5995 11.4661 11.4661 11.8786 11.8786 13.5693 13.5693 k = 0.4306 0.2508 0.8717 ( 3497 PWs) bands (ev): -26.3496 -26.3496 -9.2394 -9.2394 -8.1268 -8.1268 -8.1067 -8.1067 -0.7187 -0.7187 0.6817 0.6817 1.4144 1.4144 1.4321 1.4321 1.6636 1.6636 1.7541 1.7541 1.7952 1.7952 1.8142 1.8142 1.9922 1.9922 2.0029 2.0029 2.0302 2.0302 2.4407 2.4407 4.1487 4.1487 4.5291 4.5291 5.5033 5.5033 6.5186 6.5186 7.2968 7.2968 9.6619 9.6619 11.4214 11.4214 11.7881 11.7881 13.6377 13.6377 k = 0.4444 0.2589 0.8623 ( 3497 PWs) bands (ev): -26.3497 -26.3497 -9.2392 -9.2392 -8.1263 -8.1263 -8.1068 -8.1068 -0.7167 -0.7167 0.6704 0.6704 1.4149 1.4149 1.4344 1.4344 1.6619 1.6619 1.7525 1.7525 1.7956 1.7956 1.8148 1.8148 1.9909 1.9909 2.0027 2.0027 2.0310 2.0310 2.4216 2.4216 4.1527 4.1527 4.5833 4.5833 5.4797 5.4797 6.5150 6.5150 7.3253 7.3253 9.7173 9.7173 11.3843 11.3843 11.7117 11.7117 13.6998 13.6998 k = 0.4583 0.2670 0.8530 ( 3501 PWs) bands (ev): -26.3497 -26.3497 -9.2390 -9.2390 -8.1259 -8.1259 -8.1069 -8.1069 -0.7146 -0.7146 0.6582 0.6582 1.4153 1.4153 1.4368 1.4368 1.6602 1.6602 1.7509 1.7509 1.7961 1.7961 1.8155 1.8155 1.9895 1.9895 2.0025 2.0025 2.0320 2.0320 2.4014 2.4014 4.1574 4.1574 4.6392 4.6392 5.4579 5.4579 6.5144 6.5144 7.3511 7.3511 9.7633 9.7633 11.3550 11.3550 11.6516 11.6516 13.7532 13.7532 k = 0.4722 0.2751 0.8436 ( 3504 PWs) bands (ev): -26.3498 -26.3498 -9.2388 -9.2388 -8.1253 -8.1253 -8.1070 -8.1070 -0.7124 -0.7124 0.6454 0.6454 1.4158 1.4158 1.4393 1.4393 1.6586 1.6586 1.7491 1.7491 1.7965 1.7965 1.8163 1.8163 1.9881 1.9881 2.0022 2.0022 2.0333 2.0333 2.3803 2.3803 4.1630 4.1630 4.6961 4.6961 5.4384 5.4384 6.5168 6.5168 7.3738 7.3738 9.7974 9.7974 11.3339 11.3339 11.6102 11.6102 13.7940 13.7940 k = 0.4861 0.2832 0.8342 ( 3510 PWs) bands (ev): -26.3498 -26.3498 -9.2386 -9.2386 -8.1248 -8.1248 -8.1071 -8.1071 -0.7103 -0.7103 0.6320 0.6320 1.4163 1.4163 1.4419 1.4419 1.6570 1.6570 1.7472 1.7472 1.7970 1.7970 1.8171 1.8171 1.9868 1.9868 2.0019 2.0019 2.0348 2.0348 2.3588 2.3588 4.1694 4.1694 4.7529 4.7529 5.4218 5.4218 6.5225 6.5225 7.3933 7.3933 9.8178 9.8178 11.3212 11.3212 11.5892 11.5892 13.8171 13.8171 k = 0.5000 0.2912 0.8249 ( 3510 PWs) bands (ev): -26.3499 -26.3499 -9.2383 -9.2383 -8.1242 -8.1242 -8.1072 -8.1072 -0.7083 -0.7083 0.6182 0.6182 1.4167 1.4167 1.4447 1.4447 1.6555 1.6555 1.7450 1.7450 1.7975 1.7975 1.8180 1.8180 1.9854 1.9854 2.0016 2.0016 2.0366 2.0366 2.3370 2.3370 4.1767 4.1767 4.8087 4.8087 5.4086 5.4086 6.5316 6.5316 7.4093 7.4093 9.8241 9.8241 11.3170 11.3170 11.5890 11.5890 13.8184 13.8184 k = 0.5000 0.2912 0.8249 ( 3510 PWs) bands (ev): -26.3499 -26.3499 -9.2383 -9.2383 -8.1242 -8.1242 -8.1072 -8.1072 -0.7083 -0.7083 0.6182 0.6182 1.4167 1.4167 1.4447 1.4447 1.6555 1.6555 1.7450 1.7450 1.7975 1.7975 1.8180 1.8180 1.9854 1.9854 2.0016 2.0016 2.0366 2.0366 2.3370 2.3370 4.1767 4.1767 4.8087 4.8087 5.4086 5.4086 6.5316 6.5316 7.4093 7.4093 9.8241 9.8241 11.3170 11.3170 11.5890 11.5890 13.8184 13.8184 k = 0.5000 0.2912 0.8057 ( 3514 PWs) bands (ev): -26.3500 -26.3500 -9.2378 -9.2378 -8.1229 -8.1229 -8.1073 -8.1073 -0.7044 -0.7044 0.5882 0.5882 1.4177 1.4177 1.4504 1.4504 1.6525 1.6525 1.7402 1.7402 1.7986 1.7986 1.8200 1.8200 1.9825 1.9825 2.0009 2.0009 2.0404 2.0404 2.2932 2.2932 4.1934 4.1934 4.9240 4.9240 5.3844 5.3844 6.5558 6.5558 7.4401 7.4401 9.8229 9.8229 11.3175 11.3175 11.6071 11.6071 13.8021 13.8021 k = 0.5000 0.2912 0.7865 ( 3510 PWs) bands (ev): -26.3502 -26.3502 -9.2372 -9.2372 -8.1215 -8.1215 -8.1075 -8.1075 -0.7004 -0.7004 0.5554 0.5554 1.4186 1.4186 1.4564 1.4564 1.6496 1.6496 1.7349 1.7349 1.7999 1.7999 1.8220 1.8220 1.9795 1.9795 2.0001 2.0001 2.0443 2.0443 2.2510 2.2510 4.2121 4.2121 5.0446 5.0446 5.3590 5.3590 6.5839 6.5839 7.4741 7.4741 9.8226 9.8226 11.3185 11.3185 11.6184 11.6184 13.7968 13.7968 k = 0.5000 0.2912 0.7673 ( 3510 PWs) bands (ev): -26.3503 -26.3503 -9.2366 -9.2366 -8.1200 -8.1200 -8.1077 -8.1077 -0.6965 -0.6965 0.5200 0.5200 1.4196 1.4196 1.4624 1.4624 1.6467 1.6467 1.7293 1.7293 1.8012 1.8012 1.8241 1.8241 1.9764 1.9764 1.9993 1.9993 2.0480 2.0480 2.2112 2.2112 4.2327 4.2327 5.1693 5.1693 5.3335 5.3335 6.6160 6.6160 7.5113 7.5113 9.8235 9.8235 11.3201 11.3201 11.6214 11.6214 13.8042 13.8042 k = 0.5000 0.2912 0.7481 ( 3510 PWs) bands (ev): -26.3505 -26.3505 -9.2359 -9.2359 -8.1183 -8.1183 -8.1079 -8.1079 -0.6928 -0.6928 0.4821 0.4821 1.4206 1.4206 1.4682 1.4682 1.6440 1.6440 1.7232 1.7232 1.8026 1.8026 1.8263 1.8263 1.9733 1.9733 1.9985 1.9985 2.0516 2.0516 2.1741 2.1741 4.2554 4.2554 5.2863 5.2863 5.3196 5.3196 6.6521 6.6521 7.5515 7.5515 9.8260 9.8260 11.3225 11.3225 11.6151 11.6151 13.8246 13.8246 k = 0.5000 0.2912 0.7290 ( 3506 PWs) bands (ev): -26.3507 -26.3507 -9.2351 -9.2351 -8.1166 -8.1166 -8.1080 -8.1080 -0.6894 -0.6894 0.4420 0.4420 1.4216 1.4216 1.4737 1.4737 1.6415 1.6415 1.7168 1.7168 1.8039 1.8039 1.8286 1.8286 1.9700 1.9700 1.9977 1.9977 2.0549 2.0549 2.1399 2.1399 4.2801 4.2801 5.2776 5.2776 5.4353 5.4353 6.6920 6.6920 7.5949 7.5949 9.8304 9.8304 11.3257 11.3257 11.5993 11.5993 13.8535 13.8535 k = 0.5000 0.2912 0.7098 ( 3506 PWs) bands (ev): -26.3509 -26.3509 -9.2343 -9.2343 -8.1148 -8.1148 -8.1080 -8.1080 -0.6864 -0.6864 0.3999 0.3999 1.4226 1.4226 1.4788 1.4788 1.6391 1.6391 1.7102 1.7102 1.8051 1.8051 1.8312 1.8312 1.9666 1.9666 1.9970 1.9970 2.0577 2.0577 2.1090 2.1090 4.3070 4.3070 5.2537 5.2537 5.5703 5.5703 6.7357 6.7357 7.6413 7.6413 9.8368 9.8368 11.3298 11.3298 11.5743 11.5743 13.7094 13.7094 k = 0.5000 0.2912 0.6906 ( 3508 PWs) bands (ev): -26.3511 -26.3511 -9.2335 -9.2335 -8.1130 -8.1130 -8.1079 -8.1079 -0.6838 -0.6838 0.3562 0.3562 1.4236 1.4236 1.4833 1.4833 1.6368 1.6368 1.7034 1.7034 1.8062 1.8062 1.8340 1.8340 1.9631 1.9631 1.9962 1.9962 2.0595 2.0595 2.0821 2.0821 4.3360 4.3360 5.2310 5.2310 5.7083 5.7083 6.7829 6.7829 7.6906 7.6906 9.8458 9.8458 11.3351 11.3351 11.5408 11.5408 13.5530 13.5530 k = 0.5000 0.2912 0.6714 ( 3492 PWs) bands (ev): -26.3513 -26.3513 -9.2326 -9.2326 -8.1115 -8.1115 -8.1073 -8.1073 -0.6819 -0.6819 0.3110 0.3110 1.4246 1.4246 1.4872 1.4872 1.6345 1.6345 1.6967 1.6967 1.8070 1.8070 1.8373 1.8373 1.9593 1.9593 1.9956 1.9956 2.0533 2.0533 2.0661 2.0661 4.3673 4.3673 5.2106 5.2106 5.8484 5.8484 6.8334 6.8334 7.7429 7.7429 9.8576 9.8576 11.3416 11.3416 11.5002 11.5002 13.3886 13.3886 k = 0.5000 0.2912 0.6522 ( 3488 PWs) bands (ev): -26.3515 -26.3515 -9.2316 -9.2316 -8.1107 -8.1107 -8.1059 -8.1059 -0.6807 -0.6807 0.2648 0.2648 1.4256 1.4256 1.4903 1.4903 1.6319 1.6319 1.6903 1.6903 1.8074 1.8074 1.8409 1.8409 1.9550 1.9550 1.9950 1.9950 2.0346 2.0346 2.0655 2.0655 4.4009 4.4009 5.1932 5.1932 5.9901 5.9901 6.8871 6.8871 7.7981 7.7981 9.8725 9.8725 11.3493 11.3493 11.4538 11.4538 13.2176 13.2176 k = 0.5000 0.2912 0.6330 ( 3488 PWs) bands (ev): -26.3517 -26.3517 -9.2306 -9.2306 -8.1104 -8.1104 -8.1039 -8.1039 -0.6802 -0.6802 0.2176 0.2176 1.4265 1.4265 1.4925 1.4925 1.6288 1.6288 1.6843 1.6843 1.8074 1.8074 1.8451 1.8451 1.9501 1.9501 1.9945 1.9945 2.0179 2.0179 2.0659 2.0659 4.4367 4.4367 5.1792 5.1792 6.1329 6.1329 6.9437 6.9437 7.8561 7.8561 9.8910 9.8910 11.3585 11.3585 11.4031 11.4031 13.0415 13.0415 k = 0.5000 0.2912 0.6139 ( 3484 PWs) bands (ev): -26.3520 -26.3520 -9.2296 -9.2296 -8.1103 -8.1103 -8.1015 -8.1015 -0.6807 -0.6807 0.1700 0.1700 1.4273 1.4273 1.4941 1.4941 1.6249 1.6249 1.6790 1.6790 1.8068 1.8068 1.8499 1.8499 1.9445 1.9445 1.9941 1.9941 2.0047 2.0047 2.0659 2.0659 4.4750 4.4750 5.1693 5.1693 6.2763 6.2763 7.0029 7.0029 7.9170 7.9170 9.9134 9.9134 11.3485 11.3485 11.3700 11.3700 12.8614 12.8614 k = 0.5000 0.2912 0.5947 ( 3480 PWs) bands (ev): -26.3522 -26.3522 -9.2285 -9.2285 -8.1104 -8.1104 -8.0989 -8.0989 -0.6821 -0.6821 0.1220 0.1220 1.4282 1.4282 1.4949 1.4949 1.6200 1.6200 1.6746 1.6746 1.8055 1.8055 1.8551 1.8551 1.9384 1.9384 1.9927 1.9927 1.9960 1.9960 2.0652 2.0652 4.5157 4.5157 5.1639 5.1639 6.4199 6.4199 7.0645 7.0645 7.9805 7.9805 9.9399 9.9399 11.2932 11.2932 11.3820 11.3820 12.6782 12.6782 k = 0.5000 0.2912 0.5755 ( 3488 PWs) bands (ev): -26.3524 -26.3524 -9.2274 -9.2274 -8.1104 -8.1104 -8.0962 -8.0962 -0.6845 -0.6845 0.0739 0.0739 1.4289 1.4289 1.4949 1.4949 1.6140 1.6140 1.6709 1.6709 1.8035 1.8035 1.8608 1.8608 1.9322 1.9322 1.9868 1.9868 1.9949 1.9949 2.0637 2.0637 4.5589 4.5589 5.1633 5.1633 6.5632 6.5632 7.1282 7.1282 8.0467 8.0467 9.9711 9.9711 11.2370 11.2370 11.3961 11.3961 12.4929 12.4929 k = 0.5000 0.2912 0.5563 ( 3482 PWs) bands (ev): -26.3527 -26.3527 -9.2263 -9.2263 -8.1105 -8.1105 -8.0933 -8.0933 -0.6879 -0.6879 0.0260 0.0260 1.4297 1.4297 1.4945 1.4945 1.6072 1.6072 1.6678 1.6678 1.8008 1.8008 1.8670 1.8670 1.9266 1.9266 1.9818 1.9818 1.9954 1.9954 2.0615 2.0615 4.6047 4.6047 5.1678 5.1678 6.7056 6.7056 7.1936 7.1936 8.1154 8.1154 10.0073 10.0073 11.1810 11.1810 11.4119 11.4119 12.3061 12.3061 k = 0.5000 0.2912 0.5371 ( 3478 PWs) bands (ev): -26.3529 -26.3529 -9.2251 -9.2251 -8.1105 -8.1105 -8.0903 -8.0903 -0.6925 -0.6925 -0.0215 -0.0215 1.4304 1.4304 1.4935 1.4935 1.5997 1.5997 1.6650 1.6650 1.7973 1.7973 1.8733 1.8733 1.9219 1.9219 1.9782 1.9782 1.9964 1.9964 2.0587 2.0587 4.6531 4.6531 5.1778 5.1778 6.8468 6.8468 7.2604 7.2604 8.1867 8.1867 10.0487 10.0487 11.1262 11.1262 11.4294 11.4294 12.1188 12.1188 k = 0.5000 0.2912 0.5179 ( 3486 PWs) bands (ev): -26.3532 -26.3532 -9.2239 -9.2239 -8.1105 -8.1105 -8.0873 -8.0873 -0.6981 -0.6981 -0.0685 -0.0685 1.4310 1.4310 1.4921 1.4921 1.5917 1.5917 1.6624 1.6624 1.7931 1.7931 1.8794 1.8794 1.9185 1.9185 1.9755 1.9755 1.9980 1.9980 2.0553 2.0553 4.7041 4.7041 5.1933 5.1933 6.9860 6.9860 7.3283 7.3283 8.2605 8.2605 10.0958 10.0958 11.0734 11.0734 11.4482 11.4482 11.9319 11.9319 k = 0.5000 0.2912 0.4988 ( 3490 PWs) bands (ev): -26.3534 -26.3534 -9.2227 -9.2227 -8.1106 -8.1106 -8.0841 -8.0841 -0.7048 -0.7048 -0.1147 -0.1147 1.4316 1.4316 1.4904 1.4904 1.5835 1.5835 1.6597 1.6597 1.7883 1.7883 1.8848 1.8848 1.9168 1.9168 1.9735 1.9735 2.0002 2.0002 2.0514 2.0514 4.7577 4.7577 5.2144 5.2144 7.1228 7.1228 7.3970 7.3970 8.3366 8.3366 10.1488 10.1488 11.0230 11.0230 11.4666 11.4666 11.7476 11.7476 k = 0.5000 0.2912 0.4796 ( 3486 PWs) bands (ev): -26.3537 -26.3537 -9.2215 -9.2215 -8.1106 -8.1106 -8.0809 -8.0809 -0.7126 -0.7126 -0.1601 -0.1601 1.4322 1.4322 1.4885 1.4885 1.5751 1.5751 1.6568 1.6568 1.7831 1.7831 1.8891 1.8891 1.9170 1.9170 1.9719 1.9719 2.0033 2.0033 2.0472 2.0472 4.8141 4.8141 5.2412 5.2412 7.2563 7.2563 7.4662 7.4662 8.4150 8.4150 10.2079 10.2079 10.9756 10.9756 11.4686 11.4686 11.5825 11.5825 k = 0.5000 0.2912 0.4604 ( 3482 PWs) bands (ev): -26.3539 -26.3539 -9.2202 -9.2202 -8.1105 -8.1105 -8.0776 -8.0776 -0.7214 -0.7214 -0.2044 -0.2044 1.4327 1.4327 1.4863 1.4863 1.5668 1.5668 1.6537 1.6537 1.7775 1.7775 1.8920 1.8920 1.9190 1.9190 1.9705 1.9705 2.0072 2.0072 2.0428 2.0428 4.8733 4.8733 5.2737 5.2737 7.3856 7.3856 7.5363 7.5363 8.4956 8.4956 10.2731 10.2731 10.9315 10.9315 11.3477 11.3477 11.5434 11.5434 k = 0.5000 0.2912 0.4412 ( 3476 PWs) bands (ev): -26.3542 -26.3542 -9.2190 -9.2190 -8.1105 -8.1105 -8.0743 -8.0743 -0.7311 -0.7311 -0.2475 -0.2475 1.4331 1.4331 1.4839 1.4839 1.5586 1.5586 1.6502 1.6502 1.7718 1.7718 1.8936 1.8936 1.9222 1.9222 1.9692 1.9692 2.0121 2.0121 2.0385 2.0385 4.9352 4.9352 5.3118 5.3118 7.5081 7.5081 7.6086 7.6086 8.5783 8.5783 10.3445 10.3445 10.8907 10.8907 11.1695 11.1695 11.5652 11.5652 k = 0.5000 0.2912 0.4220 ( 3480 PWs) bands (ev): -26.3544 -26.3544 -9.2177 -9.2177 -8.1105 -8.1105 -8.0709 -8.0709 -0.7418 -0.7418 -0.2893 -0.2893 1.4335 1.4335 1.4813 1.4813 1.5505 1.5505 1.6465 1.6465 1.7659 1.7659 1.8944 1.8944 1.9259 1.9259 1.9678 1.9678 2.0180 2.0180 2.0344 2.0344 5.0000 5.0000 5.3554 5.3554 7.6167 7.6167 7.6893 7.6893 8.6630 8.6630 10.4214 10.4214 10.8528 10.8528 10.9881 10.9881 11.5949 11.5949 k = 0.5000 0.2912 0.4028 ( 3478 PWs) bands (ev): -26.3547 -26.3547 -9.2165 -9.2165 -8.1104 -8.1104 -8.0676 -8.0676 -0.7533 -0.7533 -0.3298 -0.3298 1.4338 1.4338 1.4787 1.4787 1.5427 1.5427 1.6425 1.6425 1.7600 1.7600 1.8948 1.8948 1.9295 1.9295 1.9662 1.9662 2.0246 2.0246 2.0310 2.0310 5.0675 5.0675 5.4042 5.4042 7.7015 7.7015 7.7878 7.7878 8.7495 8.7495 10.5029 10.5029 10.7937 10.7937 10.8316 10.8316 11.6284 11.6284 k = 0.5000 0.2912 0.3837 ( 3470 PWs) bands (ev): -26.3549 -26.3549 -9.2152 -9.2152 -8.1103 -8.1103 -8.0642 -8.0642 -0.7655 -0.7655 -0.3688 -0.3688 1.4341 1.4341 1.4760 1.4760 1.5351 1.5351 1.6384 1.6384 1.7542 1.7542 1.8950 1.8950 1.9328 1.9328 1.9645 1.9645 2.0268 2.0268 2.0333 2.0333 5.1379 5.1379 5.4581 5.4581 7.7695 7.7695 7.8960 7.8960 8.8377 8.8377 10.5795 10.5795 10.6299 10.6299 10.7924 10.7924 11.6650 11.6650 k = 0.5000 0.2912 0.3645 ( 3472 PWs) bands (ev): -26.3552 -26.3552 -9.2140 -9.2140 -8.1102 -8.1102 -8.0609 -8.0609 -0.7783 -0.7783 -0.4063 -0.4063 1.4342 1.4342 1.4732 1.4732 1.5277 1.5277 1.6340 1.6340 1.7485 1.7485 1.8950 1.8950 1.9354 1.9354 1.9627 1.9627 2.0245 2.0245 2.0413 2.0413 5.2110 5.2110 5.5168 5.5168 7.8298 7.8298 8.0045 8.0045 8.9274 8.9274 10.4389 10.4389 10.6750 10.6750 10.7662 10.7662 11.7043 11.7043 k = 0.5000 0.2912 0.3453 ( 3476 PWs) bands (ev): -26.3554 -26.3554 -9.2128 -9.2128 -8.1100 -8.1100 -8.0576 -8.0576 -0.7915 -0.7915 -0.4421 -0.4421 1.4342 1.4342 1.4704 1.4704 1.5206 1.5206 1.6296 1.6296 1.7429 1.7429 1.8949 1.8949 1.9375 1.9375 1.9607 1.9607 2.0227 2.0227 2.0501 2.0501 5.2869 5.2869 5.5799 5.5799 7.8847 7.8847 8.1103 8.1103 9.0185 9.0185 10.2624 10.2624 10.7095 10.7095 10.7870 10.7870 11.7461 11.7461 k = 0.5000 0.2912 0.3261 ( 3478 PWs) bands (ev): -26.3556 -26.3556 -9.2116 -9.2116 -8.1099 -8.1099 -8.0543 -8.0543 -0.8051 -0.8051 -0.4763 -0.4763 1.4341 1.4341 1.4677 1.4677 1.5138 1.5138 1.6251 1.6251 1.7375 1.7375 1.8948 1.8948 1.9389 1.9389 1.9588 1.9588 2.0215 2.0215 2.0592 2.0592 5.3656 5.3656 5.6473 5.6473 7.9347 7.9347 8.2125 8.2125 9.1108 9.1108 10.0872 10.0872 10.6805 10.6805 10.8637 10.8637 11.7895 11.7895 k = 0.5000 0.2912 0.3069 ( 3470 PWs) bands (ev): -26.3558 -26.3558 -9.2105 -9.2105 -8.1097 -8.1097 -8.0511 -8.0511 -0.8190 -0.8190 -0.5087 -0.5087 1.4339 1.4339 1.4650 1.4650 1.5073 1.5073 1.6206 1.6206 1.7324 1.7324 1.8946 1.8946 1.9395 1.9395 1.9572 1.9572 2.0209 2.0209 2.0684 2.0684 5.4469 5.4469 5.7183 5.7183 7.9798 7.9798 8.3111 8.3111 9.2039 9.2039 9.9142 9.9142 10.6375 10.6375 10.9370 10.9370 11.8180 11.8180 k = 0.5000 0.2912 0.2877 ( 3470 PWs) bands (ev): -26.3561 -26.3561 -9.2094 -9.2094 -8.1096 -8.1096 -8.0480 -8.0480 -0.8329 -0.8329 -0.5394 -0.5394 1.4335 1.4335 1.4624 1.4624 1.5010 1.5010 1.6162 1.6162 1.7275 1.7275 1.8944 1.8944 1.9393 1.9393 1.9560 1.9560 2.0208 2.0208 2.0776 2.0776 5.5309 5.5309 5.7928 5.7928 8.0199 8.0199 8.4060 8.4060 9.2977 9.2977 9.7436 9.7436 10.5829 10.5829 10.9940 10.9940 11.7752 11.7752 k = 0.5000 0.2912 0.2686 ( 3466 PWs) bands (ev): -26.3563 -26.3563 -9.2083 -9.2083 -8.1094 -8.1094 -8.0450 -8.0450 -0.8467 -0.8467 -0.5682 -0.5682 1.4330 1.4330 1.4599 1.4599 1.4950 1.4950 1.6119 1.6119 1.7228 1.7228 1.8942 1.8942 1.9384 1.9384 1.9554 1.9554 2.0211 2.0211 2.0866 2.0866 5.6173 5.6173 5.8701 5.8701 8.0548 8.0548 8.4975 8.4975 9.3916 9.3916 9.5759 9.5759 10.5157 10.5157 11.0264 11.0264 11.7447 11.7447 k = 0.5000 0.2912 0.2494 ( 3464 PWs) bands (ev): -26.3564 -26.3564 -9.2073 -9.2073 -8.1093 -8.1093 -8.0421 -8.0421 -0.8603 -0.8603 -0.5952 -0.5952 1.4324 1.4324 1.4576 1.4576 1.4892 1.4892 1.6078 1.6078 1.7183 1.7183 1.8939 1.8939 1.9370 1.9370 1.9552 1.9552 2.0217 2.0217 2.0953 2.0953 5.7061 5.7061 5.9498 5.9498 8.0845 8.0845 8.5858 8.5858 9.4100 9.4100 9.4866 9.4866 10.4363 10.4363 11.0296 11.0296 11.7399 11.7399 k = 0.5000 0.2912 0.2302 ( 3468 PWs) bands (ev): -26.3566 -26.3566 -9.2063 -9.2063 -8.1091 -8.1091 -8.0393 -8.0393 -0.8736 -0.8736 -0.6203 -0.6203 1.4315 1.4315 1.4555 1.4555 1.4838 1.4838 1.6039 1.6039 1.7142 1.7142 1.8936 1.8936 1.9353 1.9353 1.9554 1.9554 2.0225 2.0225 2.1036 2.1036 5.7971 5.7971 6.0312 6.0312 8.1090 8.1090 8.6711 8.6711 9.2488 9.2488 9.5795 9.5795 10.3467 10.3467 11.0048 11.0048 11.7604 11.7604 k = 0.5000 0.2912 0.2110 ( 3466 PWs) bands (ev): -26.3568 -26.3568 -9.2054 -9.2054 -8.1089 -8.1089 -8.0367 -8.0367 -0.8864 -0.8864 -0.6434 -0.6434 1.4306 1.4306 1.4535 1.4535 1.4788 1.4788 1.6004 1.6004 1.7103 1.7103 1.8933 1.8933 1.9334 1.9334 1.9557 1.9557 2.0235 2.0235 2.1115 2.1115 5.8900 5.8900 6.1137 6.1137 8.1286 8.1286 8.7536 8.7536 9.0907 9.0907 9.6716 9.6716 10.2502 10.2502 10.9582 10.9582 11.8037 11.8037 k = 0.5000 0.2912 0.1918 ( 3462 PWs) bands (ev): -26.3569 -26.3569 -9.2046 -9.2046 -8.1088 -8.1088 -8.0343 -8.0343 -0.8986 -0.8986 -0.6647 -0.6647 1.4297 1.4297 1.4517 1.4517 1.4741 1.4741 1.5971 1.5971 1.7067 1.7067 1.8930 1.8930 1.9316 1.9316 1.9562 1.9562 2.0247 2.0247 2.1188 2.1188 5.9844 5.9844 6.1966 6.1966 8.1433 8.1433 8.8334 8.8334 8.9364 8.9364 9.7621 9.7621 10.1500 10.1500 10.8966 10.8966 11.8671 11.8671 k = 0.5000 0.2912 0.1726 ( 3466 PWs) bands (ev): -26.3571 -26.3571 -9.2038 -9.2038 -8.1086 -8.1086 -8.0320 -8.0320 -0.9100 -0.9100 -0.6839 -0.6839 1.4286 1.4286 1.4500 1.4500 1.4698 1.4698 1.5941 1.5941 1.7034 1.7034 1.8928 1.8928 1.9299 1.9299 1.9566 1.9566 2.0258 2.0258 2.1256 2.1256 6.0799 6.0799 6.2789 6.2789 8.1535 8.1535 8.7864 8.7864 8.9107 8.9107 9.8498 9.8498 10.0494 10.0494 10.8263 10.8263 11.9479 11.9479 k = 0.5000 0.2912 0.1535 ( 3466 PWs) bands (ev): -26.3572 -26.3572 -9.2031 -9.2031 -8.1084 -8.1084 -8.0299 -8.0299 -0.9206 -0.9206 -0.7012 -0.7012 1.4276 1.4276 1.4484 1.4484 1.4660 1.4660 1.5915 1.5915 1.7005 1.7005 1.8926 1.8926 1.9284 1.9284 1.9570 1.9570 2.0270 2.0270 2.1317 2.1317 6.1759 6.1759 6.3596 6.3596 8.1594 8.1594 8.6415 8.6415 8.9851 8.9851 9.9337 9.9337 9.9516 9.9516 10.7517 10.7517 12.0438 12.0438 k = 0.5000 0.2912 0.1343 ( 3470 PWs) bands (ev): -26.3573 -26.3573 -9.2025 -9.2025 -8.1083 -8.1083 -8.0281 -8.0281 -0.9301 -0.9301 -0.7165 -0.7165 1.4266 1.4266 1.4468 1.4468 1.4626 1.4626 1.5892 1.5892 1.6978 1.6978 1.8924 1.8924 1.9270 1.9270 1.9574 1.9574 2.0281 2.0281 2.1372 2.1372 6.2714 6.2714 6.4375 6.4375 8.1616 8.1616 8.5024 8.5024 9.0565 9.0565 9.8582 9.8582 10.0134 10.0134 10.6763 10.6763 12.1529 12.1529 k = 0.5000 0.2912 0.1151 ( 3468 PWs) bands (ev): -26.3574 -26.3574 -9.2019 -9.2019 -8.1082 -8.1082 -8.0264 -8.0264 -0.9386 -0.9386 -0.7298 -0.7298 1.4256 1.4256 1.4452 1.4452 1.4599 1.4599 1.5872 1.5872 1.6956 1.6956 1.8922 1.8922 1.9257 1.9257 1.9578 1.9578 2.0291 2.0291 2.1421 2.1421 6.3651 6.3651 6.5114 6.5114 8.1605 8.1605 8.3704 8.3704 9.1241 9.1241 9.7724 9.7724 10.0863 10.0863 10.6030 10.6030 12.2735 12.2735 k = 0.5000 0.2912 0.0959 ( 3464 PWs) bands (ev): -26.3575 -26.3575 -9.2014 -9.2014 -8.1081 -8.1081 -8.0250 -8.0250 -0.9460 -0.9460 -0.7410 -0.7410 1.4249 1.4249 1.4437 1.4437 1.4577 1.4577 1.5856 1.5856 1.6936 1.6936 1.8921 1.8921 1.9248 1.9248 1.9582 1.9582 2.0300 2.0300 2.1462 2.1462 6.4550 6.4550 6.5798 6.5798 8.1569 8.1569 8.2473 8.2473 9.1869 9.1869 9.6960 9.6960 10.1511 10.1511 10.5346 10.5346 12.4041 12.4041 k = 0.5000 0.2912 0.0767 ( 3458 PWs) bands (ev): -26.3576 -26.3576 -9.2010 -9.2010 -8.1080 -8.1080 -8.0239 -8.0239 -0.9521 -0.9521 -0.7503 -0.7503 1.4243 1.4243 1.4422 1.4422 1.4560 1.4560 1.5842 1.5842 1.6920 1.6920 1.8920 1.8920 1.9240 1.9240 1.9584 1.9584 2.0308 2.0308 2.1496 2.1496 6.5379 6.5379 6.6413 6.6413 8.1349 8.1349 8.1524 8.1524 9.2436 9.2436 9.6307 9.6307 10.2052 10.2052 10.4745 10.4745 12.5428 12.5428 k = 0.5000 0.2912 0.0575 ( 3462 PWs) bands (ev): -26.3576 -26.3576 -9.2007 -9.2007 -8.1079 -8.1079 -8.0230 -8.0230 -0.9569 -0.9569 -0.7574 -0.7574 1.4238 1.4238 1.4409 1.4409 1.4548 1.4548 1.5832 1.5832 1.6907 1.6907 1.8920 1.8920 1.9233 1.9233 1.9586 1.9586 2.0314 2.0314 2.1522 2.1522 6.6094 6.6094 6.6947 6.6947 8.0389 8.0389 8.1460 8.1460 9.2921 9.2921 9.5782 9.5782 10.2453 10.2453 10.4271 10.4271 12.6805 12.6805 k = 0.5000 0.2912 0.0384 ( 3450 PWs) bands (ev): -26.3577 -26.3577 -9.2005 -9.2005 -8.1079 -8.1079 -8.0223 -8.0223 -0.9604 -0.9604 -0.7626 -0.7626 1.4235 1.4235 1.4399 1.4399 1.4540 1.4540 1.5825 1.5825 1.6898 1.6898 1.8919 1.8919 1.9229 1.9229 1.9588 1.9588 2.0319 2.0319 2.1542 2.1542 6.6639 6.6639 6.7385 6.7385 7.9627 7.9627 8.1406 8.1406 9.3298 9.3298 9.5397 9.5397 10.2673 10.2673 10.3979 10.3979 12.7522 12.7522 k = 0.5000 0.2912 0.0192 ( 3450 PWs) bands (ev): -26.3577 -26.3577 -9.2004 -9.2004 -8.1078 -8.1078 -8.0219 -8.0219 -0.9625 -0.9625 -0.7656 -0.7656 1.4233 1.4233 1.4393 1.4393 1.4535 1.4535 1.5821 1.5821 1.6893 1.6893 1.8919 1.8919 1.9226 1.9226 1.9589 1.9589 2.0321 2.0321 2.1553 2.1553 6.6972 6.6972 6.7688 6.7688 7.9132 7.9132 8.1369 8.1369 9.3539 9.3539 9.5162 9.5162 10.2723 10.2723 10.3874 10.3874 12.7998 12.7998 k = 0.5000 0.2912-0.0000 ( 3446 PWs) bands (ev): -26.3577 -26.3577 -9.2003 -9.2003 -8.1078 -8.1078 -8.0218 -8.0218 -0.9632 -0.9632 -0.7667 -0.7667 1.4233 1.4233 1.4390 1.4390 1.4534 1.4534 1.5820 1.5820 1.6891 1.6891 1.8919 1.8919 1.9225 1.9225 1.9589 1.9589 2.0323 2.0323 2.1557 2.1557 6.7082 6.7082 6.7800 6.7800 7.8958 7.8958 8.1355 8.1355 9.3623 9.3623 9.5083 9.5083 10.2718 10.2718 10.3860 10.3860 12.8182 12.8182 k = 0.0000 0.0000 0.9934 ( 3504 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1063 -8.1063 -0.7282 -0.7282 0.7453 0.7453 1.4120 1.4120 1.4168 1.4168 1.6717 1.6717 1.7650 1.7650 1.7976 1.7976 1.8034 1.8034 2.0035 2.0035 2.0037 2.0037 2.0144 2.0144 2.6209 2.6209 4.1092 4.1092 4.2235 4.2235 5.5166 5.5166 6.4503 6.4503 7.2812 7.2812 9.8398 9.8398 11.3205 11.3205 11.4230 11.4230 13.9830 13.9830 k = 0.0167 0.0097 0.9934 ( 3508 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1063 -8.1063 -0.7282 -0.7282 0.7453 0.7453 1.4120 1.4120 1.4168 1.4168 1.6718 1.6718 1.7650 1.7650 1.7976 1.7976 1.8034 1.8034 2.0034 2.0034 2.0038 2.0038 2.0146 2.0146 2.6199 2.6199 4.1095 4.1095 4.2231 4.2231 5.5187 5.5187 6.4522 6.4522 7.2783 7.2783 9.8259 9.8259 11.3265 11.3265 11.4421 11.4421 13.9723 13.9723 k = 0.0333 0.0194 0.9934 ( 3500 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1063 -8.1063 -0.7281 -0.7281 0.7453 0.7453 1.4120 1.4120 1.4169 1.4169 1.6721 1.6721 1.7651 1.7651 1.7975 1.7975 1.8034 1.8034 2.0034 2.0034 2.0040 2.0040 2.0152 2.0152 2.6172 2.6172 4.1103 4.1103 4.2220 4.2220 5.5249 5.5249 6.4579 6.4579 7.2696 7.2696 9.7863 9.7863 11.3445 11.3445 11.4972 11.4972 13.9395 13.9395 k = 0.0500 0.0291 0.9934 ( 3498 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1063 -8.1063 -0.7280 -0.7280 0.7453 0.7453 1.4119 1.4119 1.4169 1.4169 1.6725 1.6725 1.7654 1.7654 1.7975 1.7975 1.8035 1.8035 2.0033 2.0033 2.0042 2.0042 2.0161 2.0161 2.6129 2.6129 4.1116 4.1116 4.2203 4.2203 5.5350 5.5350 6.4673 6.4673 7.2554 7.2554 9.7264 9.7264 11.3743 11.3743 11.5829 11.5829 13.8846 13.8846 k = 0.0667 0.0388 0.9934 ( 3494 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1063 -8.1063 -0.7279 -0.7279 0.7453 0.7453 1.4118 1.4118 1.4170 1.4170 1.6730 1.6730 1.7657 1.7657 1.7974 1.7974 1.8035 1.8035 2.0032 2.0032 2.0045 2.0045 2.0175 2.0175 2.6071 2.6071 4.1135 4.1135 4.2178 4.2178 5.5487 5.5487 6.4803 6.4803 7.2359 7.2359 9.6526 9.6526 11.4155 11.4155 11.6928 11.6928 13.8101 13.8101 k = 0.0833 0.0485 0.9934 ( 3494 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1063 -8.1063 -0.7278 -0.7278 0.7453 0.7453 1.4117 1.4117 1.4171 1.4171 1.6737 1.6737 1.7660 1.7660 1.7973 1.7973 1.8036 1.8036 2.0031 2.0031 2.0047 2.0047 2.0191 2.0191 2.6000 2.6000 4.1158 4.1158 4.2148 4.2148 5.5653 5.5653 6.4970 6.4970 7.2115 7.2115 9.5708 9.5708 11.4678 11.4678 11.8212 11.8212 13.7193 13.7193 k = 0.1000 0.0582 0.9934 ( 3492 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7276 -0.7276 0.7453 0.7453 1.4116 1.4116 1.4172 1.4172 1.6744 1.6744 1.7665 1.7665 1.7972 1.7972 1.8036 1.8036 2.0030 2.0030 2.0049 2.0049 2.0210 2.0210 2.5920 2.5920 4.1187 4.1187 4.2111 4.2111 5.5843 5.5843 6.5170 6.5170 7.1829 7.1829 9.4859 9.4859 11.5306 11.5306 11.9631 11.9631 13.6152 13.6152 k = 0.1167 0.0680 0.9934 ( 3490 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7274 -0.7274 0.7453 0.7453 1.4115 1.4115 1.4173 1.4173 1.6751 1.6751 1.7669 1.7669 1.7972 1.7972 1.8036 1.8036 2.0030 2.0030 2.0051 2.0051 2.0231 2.0231 2.5834 2.5834 4.1220 4.1220 4.2069 4.2069 5.6049 5.6049 6.5404 6.5404 7.1505 7.1505 9.4018 9.4018 11.6032 11.6032 12.1147 12.1147 13.5009 13.5009 k = 0.1333 0.0777 0.9934 ( 3490 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7272 -0.7272 0.7452 0.7452 1.4114 1.4114 1.4175 1.4175 1.6759 1.6759 1.7674 1.7674 1.7971 1.7971 1.8036 1.8036 2.0029 2.0029 2.0052 2.0052 2.0254 2.0254 2.5746 2.5746 4.1258 4.1258 4.2023 4.2023 5.6262 5.6262 6.5669 6.5669 7.1148 7.1148 9.3214 9.3214 11.6850 11.6850 12.2728 12.2728 13.3789 13.3789 k = 0.1500 0.0874 0.9934 ( 3496 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7270 -0.7270 0.7452 0.7452 1.4113 1.4113 1.4175 1.4175 1.6766 1.6766 1.7678 1.7678 1.7971 1.7971 1.8036 1.8036 2.0028 2.0028 2.0053 2.0053 2.0278 2.0278 2.5659 2.5659 4.1299 4.1299 4.1973 4.1973 5.6473 5.6473 6.5964 6.5964 7.0766 7.0766 9.2472 9.2472 11.7753 11.7753 12.4346 12.4346 13.2515 13.2515 k = 0.1667 0.0971 0.9934 ( 3500 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7268 -0.7268 0.7452 0.7452 1.4111 1.4111 1.4176 1.4176 1.6773 1.6773 1.7683 1.7683 1.7971 1.7971 1.8035 1.8035 2.0028 2.0028 2.0054 2.0054 2.0300 2.0300 2.5577 2.5577 4.1344 4.1344 4.1920 4.1920 5.6673 5.6673 6.6286 6.6286 7.0363 7.0363 9.1810 9.1810 11.8734 11.8734 12.5969 12.5969 13.1208 13.1208 k = 0.1833 0.1068 0.9934 ( 3498 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7266 -0.7266 0.7452 0.7452 1.4111 1.4111 1.4177 1.4177 1.6779 1.6779 1.7687 1.7687 1.7971 1.7971 1.8034 1.8034 2.0027 2.0027 2.0055 2.0055 2.0321 2.0321 2.5505 2.5505 4.1392 4.1392 4.1865 4.1865 5.6852 5.6852 6.6632 6.6632 6.9946 6.9946 9.1246 9.1246 11.9785 11.9785 12.7548 12.7548 12.9900 12.9900 k = 0.2000 0.1165 0.9934 ( 3492 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7265 -0.7265 0.7452 0.7452 1.4110 1.4110 1.4178 1.4178 1.6784 1.6784 1.7690 1.7690 1.7972 1.7972 1.8034 1.8034 2.0027 2.0027 2.0056 2.0056 2.0339 2.0339 2.5444 2.5444 4.1442 4.1442 4.1809 4.1809 5.7003 5.7003 6.7000 6.7000 6.9520 6.9520 9.0793 9.0793 12.0900 12.0900 12.8368 12.8368 12.9271 12.9271 k = 0.2167 0.1262 0.9934 ( 3488 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1294 -8.1294 -8.1064 -8.1064 -0.7264 -0.7264 0.7453 0.7453 1.4110 1.4110 1.4178 1.4178 1.6788 1.6788 1.7693 1.7693 1.7972 1.7972 1.8033 1.8033 2.0026 2.0026 2.0056 2.0056 2.0353 2.0353 2.5399 2.5399 4.1493 4.1493 4.1755 4.1755 5.7116 5.7116 6.7386 6.7386 6.9091 6.9091 9.0462 9.0462 12.2070 12.2070 12.7144 12.7144 13.0536 13.0536 k = 0.2333 0.1359 0.9934 ( 3496 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7263 -0.7263 0.7453 0.7453 1.4110 1.4110 1.4178 1.4178 1.6790 1.6790 1.7694 1.7694 1.7972 1.7972 1.8032 1.8032 2.0026 2.0026 2.0057 2.0057 2.0361 2.0361 2.5371 2.5371 4.1538 4.1538 4.1707 4.1707 5.7187 5.7187 6.7784 6.7784 6.8667 6.8667 9.0259 9.0259 12.3287 12.3287 12.5839 12.5839 13.1575 13.1575 k = 0.2500 0.1456 0.9934 ( 3484 PWs) bands (ev): -26.3493 -26.3493 -9.2405 -9.2405 -8.1295 -8.1295 -8.1064 -8.1064 -0.7263 -0.7263 0.7453 0.7453 1.4110 1.4110 1.4178 1.4178 1.6791 1.6791 1.7694 1.7694 1.7973 1.7973 1.8032 1.8032 2.0026 2.0026 2.0057 2.0057 2.0364 2.0364 2.5362 2.5362 4.1559 4.1559 4.1685 4.1685 5.7211 5.7211 6.8111 6.8111 6.8332 6.8332 9.0191 9.0191 12.4423 12.4423 12.4672 12.4672 13.1996 13.1996 Writing output data file SrxZnGex2.save init_run : 0.32s CPU 0.45s WALL ( 1 calls) electrons : 171.65s CPU 173.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 171.65s CPU 173.91s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 333 calls) cegterg : 154.80s CPU 156.50s WALL ( 393 calls) Called by sum_band: Called by *egterg: h_psi : 107.39s CPU 108.68s WALL ( 6784 calls) s_psi : 4.08s CPU 4.08s WALL ( 6784 calls) g_psi : 0.18s CPU 0.19s WALL ( 6058 calls) cdiaghg : 45.81s CPU 46.42s WALL ( 6391 calls) cegterg:over : 4.45s CPU 4.51s WALL ( 6058 calls) cegterg:upda : 3.59s CPU 3.66s WALL ( 6058 calls) cegterg:last : 2.07s CPU 2.02s WALL ( 1059 calls) cdiaghg:chol : 2.42s CPU 2.58s WALL ( 6391 calls) cdiaghg:inve : 1.79s CPU 1.74s WALL ( 6391 calls) cdiaghg:para : 2.78s CPU 2.74s WALL ( 12782 calls) Called by h_psi: h_psi:vloc : 98.33s CPU 99.54s WALL ( 6784 calls) h_psi:vnl : 8.92s CPU 8.96s WALL ( 6784 calls) add_vuspsi : 4.73s CPU 4.73s WALL ( 6784 calls) General routines calbec : 4.18s CPU 4.21s WALL ( 6784 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.23s CPU 93.69s WALL ( 727868 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.20s WALL ( 666 calls) Parallel routines fft_scatter : 28.44s CPU 29.30s WALL ( 727891 calls) PWSCF : 3m 6.82s CPU 3m24.30s WALL This run was terminated on: 19:10:26 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=