Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 16:40:43 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: ./SrxSiAgx2.save/ 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 67 47 13 1358 785 125 Max 68 48 14 1360 809 127 Sum 2429 1699 499 48911 28635 4551 bravais-lattice index = 14 lattice parameter (alat) = 11.5025 a.u. unit-cell volume = 678.3847 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.502487 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.741100 celldm(5)= -0.741100 celldm(6)= 0.482200 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.482200 0.876061 0.000000 ) a(3) = ( -0.741100 -0.438031 0.508822 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.550418 0.982661 ) b(2) = ( 0.000000 1.141473 0.982661 ) b(3) = ( 0.000000 0.000000 1.965322 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Si 4.00 28.08550 Si( 1.00) Sr 10.00 87.62000 Sr( 1.00) Ag 11.00 107.86820 Ag( 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= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0000000 0.0000000 0.0192679), wk = 0.0030120 k( 3) = ( 0.0000000 0.0000000 0.0385357), wk = 0.0030120 k( 4) = ( 0.0000000 0.0000000 0.0578036), wk = 0.0030120 k( 5) = ( 0.0000000 0.0000000 0.0770715), wk = 0.0030120 k( 6) = ( 0.0000000 0.0000000 0.0963393), wk = 0.0030120 k( 7) = ( 0.0000000 0.0000000 0.1156072), wk = 0.0030120 k( 8) = ( 0.0000000 0.0000000 0.1348751), wk = 0.0030120 k( 9) = ( 0.0000000 0.0000000 0.1541429), wk = 0.0030120 k( 10) = ( 0.0000000 0.0000000 0.1734108), wk = 0.0030120 k( 11) = ( 0.0000000 0.0000000 0.1926787), wk = 0.0030120 k( 12) = ( 0.0000000 0.0000000 0.2119465), wk = 0.0030120 k( 13) = ( 0.0000000 0.0000000 0.2312144), wk = 0.0030120 k( 14) = ( 0.0000000 0.0000000 0.2504823), wk = 0.0030120 k( 15) = ( 0.0000000 0.0000000 0.2697501), wk = 0.0030120 k( 16) = ( 0.0000000 0.0000000 0.2890180), wk = 0.0030120 k( 17) = ( 0.0000000 0.0000000 0.3082859), wk = 0.0030120 k( 18) = ( 0.0000000 0.0000000 0.3275538), wk = 0.0030120 k( 19) = ( 0.0000000 0.0000000 0.3468216), wk = 0.0030120 k( 20) = ( 0.0000000 0.0000000 0.3660895), wk = 0.0030120 k( 21) = ( 0.0000000 0.0000000 0.3853573), wk = 0.0030120 k( 22) = ( 0.0000000 0.0000000 0.4046252), wk = 0.0030120 k( 23) = ( 0.0000000 0.0000000 0.4238931), wk = 0.0030120 k( 24) = ( 0.0000000 0.0000000 0.4431610), wk = 0.0030120 k( 25) = ( 0.0000000 0.0000000 0.4624288), wk = 0.0030120 k( 26) = ( 0.0000000 0.0000000 0.4816967), wk = 0.0030120 k( 27) = ( 0.0000000 0.0000000 0.5009646), wk = 0.0030120 k( 28) = ( 0.0000000 0.0000000 0.5202324), wk = 0.0030120 k( 29) = ( 0.0000000 0.0000000 0.5395003), wk = 0.0030120 k( 30) = ( 0.0000000 0.0000000 0.5587682), wk = 0.0030120 k( 31) = ( 0.0000000 0.0000000 0.5780360), wk = 0.0030120 k( 32) = ( 0.0000000 0.0000000 0.5973039), wk = 0.0030120 k( 33) = ( 0.0000000 0.0000000 0.6165718), wk = 0.0030120 k( 34) = ( 0.0000000 0.0000000 0.6358396), wk = 0.0030120 k( 35) = ( 0.0000000 0.0000000 0.6551075), wk = 0.0030120 k( 36) = ( 0.0000000 0.0000000 0.6743754), wk = 0.0030120 k( 37) = ( 0.0000000 0.0000000 0.6936432), wk = 0.0030120 k( 38) = ( 0.0000000 0.0000000 0.7129111), wk = 0.0030120 k( 39) = ( 0.0000000 0.0000000 0.7321790), wk = 0.0030120 k( 40) = ( 0.0000000 0.0000000 0.7514468), wk = 0.0030120 k( 41) = ( 0.0000000 0.0000000 0.7707147), wk = 0.0030120 k( 42) = ( 0.0000000 0.0000000 0.7899826), wk = 0.0030120 k( 43) = ( 0.0000000 0.0000000 0.8092504), wk = 0.0030120 k( 44) = ( 0.0000000 0.0000000 0.8285183), wk = 0.0030120 k( 45) = ( 0.0000000 0.0000000 0.8477862), wk = 0.0030120 k( 46) = ( 0.0000000 0.0000000 0.8670540), wk = 0.0030120 k( 47) = ( 0.0000000 0.0000000 0.8863219), wk = 0.0030120 k( 48) = ( 0.0000000 0.0000000 0.9055898), wk = 0.0030120 k( 49) = ( 0.0000000 0.0000000 0.9248576), wk = 0.0030120 k( 50) = ( 0.0000000 0.0000000 0.9441255), wk = 0.0030120 k( 51) = ( 0.0000000 0.0000000 0.9633934), wk = 0.0030120 k( 52) = ( 0.0000000 0.0000000 0.9826612), wk = 0.0030120 k( 53) = ( 0.0000000 0.0000000 0.9826612), wk = 0.0030120 k( 54) = ( -0.0097041 0.0164182 0.9826612), wk = 0.0030120 k( 55) = ( -0.0194081 0.0328364 0.9826612), wk = 0.0030120 k( 56) = ( -0.0291122 0.0492546 0.9826612), wk = 0.0030120 k( 57) = ( -0.0388162 0.0656728 0.9826612), wk = 0.0030120 k( 58) = ( -0.0485203 0.0820910 0.9826612), wk = 0.0030120 k( 59) = ( -0.0582243 0.0985092 0.9826612), wk = 0.0030120 k( 60) = ( -0.0679284 0.1149273 0.9826612), wk = 0.0030120 k( 61) = ( -0.0776324 0.1313455 0.9826612), wk = 0.0030120 k( 62) = ( -0.0873365 0.1477637 0.9826612), wk = 0.0030120 k( 63) = ( -0.0873365 0.1477637 0.9826612), wk = 0.0030120 k( 64) = ( -0.0942142 0.1594001 0.9691443), wk = 0.0030120 k( 65) = ( -0.1010919 0.1710364 0.9556273), wk = 0.0030120 k( 66) = ( -0.1079697 0.1826728 0.9421104), wk = 0.0030120 k( 67) = ( -0.1148474 0.1943092 0.9285934), wk = 0.0030120 k( 68) = ( -0.1217251 0.2059455 0.9150765), wk = 0.0030120 k( 69) = ( -0.1286028 0.2175819 0.9015596), wk = 0.0030120 k( 70) = ( -0.1354806 0.2292182 0.8880426), wk = 0.0030120 k( 71) = ( -0.1423583 0.2408546 0.8745257), wk = 0.0030120 k( 72) = ( -0.1492360 0.2524909 0.8610087), wk = 0.0030120 k( 73) = ( -0.1561137 0.2641273 0.8474918), wk = 0.0030120 k( 74) = ( -0.1629915 0.2757636 0.8339748), wk = 0.0030120 k( 75) = ( -0.1698692 0.2874000 0.8204579), wk = 0.0030120 k( 76) = ( -0.1767469 0.2990364 0.8069409), wk = 0.0030120 k( 77) = ( -0.1836246 0.3106727 0.7934240), wk = 0.0030120 k( 78) = ( -0.1905024 0.3223091 0.7799070), wk = 0.0030120 k( 79) = ( -0.1973801 0.3339454 0.7663901), wk = 0.0030120 k( 80) = ( -0.2042578 0.3455818 0.7528731), wk = 0.0030120 k( 81) = ( -0.2111355 0.3572181 0.7393562), wk = 0.0030120 k( 82) = ( -0.2180133 0.3688545 0.7258392), wk = 0.0030120 k( 83) = ( -0.2248910 0.3804908 0.7123223), wk = 0.0030120 k( 84) = ( -0.2317687 0.3921272 0.6988053), wk = 0.0030120 k( 85) = ( -0.2386464 0.4037636 0.6852884), wk = 0.0030120 k( 86) = ( -0.2455242 0.4153999 0.6717714), wk = 0.0030120 k( 87) = ( -0.2524019 0.4270363 0.6582545), wk = 0.0030120 k( 88) = ( -0.2592796 0.4386726 0.6447375), wk = 0.0030120 k( 89) = ( -0.2661573 0.4503090 0.6312206), wk = 0.0030120 k( 90) = ( -0.2730351 0.4619453 0.6177036), wk = 0.0030120 k( 91) = ( -0.2799128 0.4735817 0.6041867), wk = 0.0030120 k( 92) = ( -0.2867905 0.4852181 0.5906697), wk = 0.0030120 k( 93) = ( -0.2936682 0.4968544 0.5771528), wk = 0.0030120 k( 94) = ( -0.2936682 0.4968544 0.5771528), wk = 0.0030120 k( 95) = ( -0.2868387 0.4852997 0.5637306), wk = 0.0030120 k( 96) = ( -0.2800092 0.4737449 0.5503085), wk = 0.0030120 k( 97) = ( -0.2731798 0.4621902 0.5368863), wk = 0.0030120 k( 98) = ( -0.2663503 0.4506354 0.5234642), wk = 0.0030120 k( 99) = ( -0.2595208 0.4390806 0.5100420), wk = 0.0030120 k( 100) = ( -0.2526913 0.4275259 0.4966198), wk = 0.0030120 k( 101) = ( -0.2458618 0.4159711 0.4831977), wk = 0.0030120 k( 102) = ( -0.2390323 0.4044164 0.4697755), wk = 0.0030120 k( 103) = ( -0.2322028 0.3928616 0.4563534), wk = 0.0030120 k( 104) = ( -0.2253733 0.3813069 0.4429312), wk = 0.0030120 k( 105) = ( -0.2185438 0.3697521 0.4295090), wk = 0.0030120 k( 106) = ( -0.2117143 0.3581974 0.4160869), wk = 0.0030120 k( 107) = ( -0.2048848 0.3466426 0.4026647), wk = 0.0030120 k( 108) = ( -0.1980553 0.3350879 0.3892426), wk = 0.0030120 k( 109) = ( -0.1912258 0.3235331 0.3758204), wk = 0.0030120 k( 110) = ( -0.1843963 0.3119784 0.3623983), wk = 0.0030120 k( 111) = ( -0.1775668 0.3004236 0.3489761), wk = 0.0030120 k( 112) = ( -0.1707374 0.2888688 0.3355540), wk = 0.0030120 k( 113) = ( -0.1639078 0.2773141 0.3221318), wk = 0.0030120 k( 114) = ( -0.1570784 0.2657593 0.3087096), wk = 0.0030120 k( 115) = ( -0.1502489 0.2542046 0.2952875), wk = 0.0030120 k( 116) = ( -0.1434194 0.2426498 0.2818653), wk = 0.0030120 k( 117) = ( -0.1365899 0.2310951 0.2684432), wk = 0.0030120 k( 118) = ( -0.1297604 0.2195403 0.2550210), wk = 0.0030120 k( 119) = ( -0.1229309 0.2079856 0.2415988), wk = 0.0030120 k( 120) = ( -0.1161014 0.1964308 0.2281767), wk = 0.0030120 k( 121) = ( -0.1092719 0.1848761 0.2147545), wk = 0.0030120 k( 122) = ( -0.1024424 0.1733213 0.2013324), wk = 0.0030120 k( 123) = ( -0.0956129 0.1617665 0.1879102), wk = 0.0030120 k( 124) = ( -0.0887834 0.1502118 0.1744881), wk = 0.0030120 k( 125) = ( -0.0819539 0.1386571 0.1610659), wk = 0.0030120 k( 126) = ( -0.0751244 0.1271023 0.1476437), wk = 0.0030120 k( 127) = ( -0.0682949 0.1155475 0.1342216), wk = 0.0030120 k( 128) = ( -0.0614654 0.1039928 0.1207994), wk = 0.0030120 k( 129) = ( -0.0546360 0.0924380 0.1073773), wk = 0.0030120 k( 130) = ( -0.0478065 0.0808833 0.0939551), wk = 0.0030120 k( 131) = ( -0.0409770 0.0693285 0.0805329), wk = 0.0030120 k( 132) = ( -0.0341475 0.0577738 0.0671108), wk = 0.0030120 k( 133) = ( -0.0273180 0.0462190 0.0536886), wk = 0.0030120 k( 134) = ( -0.0204885 0.0346643 0.0402665), wk = 0.0030120 k( 135) = ( -0.0136590 0.0231095 0.0268443), wk = 0.0030120 k( 136) = ( -0.0068295 0.0115547 0.0134222), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 139) = ( 0.0166667 0.0098509 -0.0000000), wk = 0.0030120 k( 140) = ( 0.0333333 0.0197018 -0.0000000), wk = 0.0030120 k( 141) = ( 0.0500000 0.0295527 -0.0000000), wk = 0.0030120 k( 142) = ( 0.0666667 0.0394037 -0.0000000), wk = 0.0030120 k( 143) = ( 0.0833333 0.0492546 -0.0000000), wk = 0.0030120 k( 144) = ( 0.1000000 0.0591055 -0.0000000), wk = 0.0030120 k( 145) = ( 0.1166667 0.0689564 -0.0000000), wk = 0.0030120 k( 146) = ( 0.1333333 0.0788073 -0.0000000), wk = 0.0030120 k( 147) = ( 0.1500000 0.0886582 -0.0000000), wk = 0.0030120 k( 148) = ( 0.1666667 0.0985092 -0.0000000), wk = 0.0030120 k( 149) = ( 0.1833333 0.1083601 -0.0000000), wk = 0.0030120 k( 150) = ( 0.2000000 0.1182110 -0.0000000), wk = 0.0030120 k( 151) = ( 0.2166667 0.1280619 -0.0000000), wk = 0.0030120 k( 152) = ( 0.2333333 0.1379128 -0.0000000), wk = 0.0030120 k( 153) = ( 0.2500000 0.1477637 -0.0000000), wk = 0.0030120 k( 154) = ( 0.2666667 0.1576146 -0.0000000), wk = 0.0030120 k( 155) = ( 0.2833333 0.1674656 -0.0000000), wk = 0.0030120 k( 156) = ( 0.3000000 0.1773165 -0.0000000), wk = 0.0030120 k( 157) = ( 0.3166667 0.1871674 -0.0000000), wk = 0.0030120 k( 158) = ( 0.3333333 0.1970183 -0.0000000), wk = 0.0030120 k( 159) = ( 0.3500000 0.2068692 -0.0000000), wk = 0.0030120 k( 160) = ( 0.3666667 0.2167201 -0.0000000), wk = 0.0030120 k( 161) = ( 0.3833333 0.2265710 -0.0000000), wk = 0.0030120 k( 162) = ( 0.4000000 0.2364220 -0.0000000), wk = 0.0030120 k( 163) = ( 0.4166667 0.2462729 -0.0000000), wk = 0.0030120 k( 164) = ( 0.4333333 0.2561238 -0.0000000), wk = 0.0030120 k( 165) = ( 0.4500000 0.2659747 -0.0000000), wk = 0.0030120 k( 166) = ( 0.4666667 0.2758256 -0.0000000), wk = 0.0030120 k( 167) = ( 0.4833333 0.2856765 -0.0000000), wk = 0.0030120 k( 168) = ( 0.5000000 0.2955275 -0.0000000), wk = 0.0030120 k( 169) = ( 0.5000000 0.2955275 -0.0000000), wk = 0.0030120 k( 170) = ( 0.4931223 0.3071638 0.0135170), wk = 0.0030120 k( 171) = ( 0.4862445 0.3188002 0.0270339), wk = 0.0030120 k( 172) = ( 0.4793668 0.3304365 0.0405509), wk = 0.0030120 k( 173) = ( 0.4724891 0.3420729 0.0540678), wk = 0.0030120 k( 174) = ( 0.4656114 0.3537092 0.0675847), wk = 0.0030120 k( 175) = ( 0.4587336 0.3653456 0.0811017), wk = 0.0030120 k( 176) = ( 0.4518559 0.3769819 0.0946186), wk = 0.0030120 k( 177) = ( 0.4449782 0.3886183 0.1081356), wk = 0.0030120 k( 178) = ( 0.4381005 0.4002547 0.1216525), wk = 0.0030120 k( 179) = ( 0.4312227 0.4118910 0.1351695), wk = 0.0030120 k( 180) = ( 0.4243450 0.4235274 0.1486864), wk = 0.0030120 k( 181) = ( 0.4174673 0.4351637 0.1622034), wk = 0.0030120 k( 182) = ( 0.4105896 0.4468001 0.1757203), wk = 0.0030120 k( 183) = ( 0.4037118 0.4584364 0.1892373), wk = 0.0030120 k( 184) = ( 0.3968341 0.4700728 0.2027542), wk = 0.0030120 k( 185) = ( 0.3899564 0.4817092 0.2162712), wk = 0.0030120 k( 186) = ( 0.3830787 0.4933455 0.2297881), wk = 0.0030120 k( 187) = ( 0.3762009 0.5049819 0.2433051), wk = 0.0030120 k( 188) = ( 0.3693232 0.5166182 0.2568220), wk = 0.0030120 k( 189) = ( 0.3624455 0.5282546 0.2703390), wk = 0.0030120 k( 190) = ( 0.3555678 0.5398909 0.2838559), wk = 0.0030120 k( 191) = ( 0.3486900 0.5515273 0.2973729), wk = 0.0030120 k( 192) = ( 0.3418123 0.5631636 0.3108898), wk = 0.0030120 k( 193) = ( 0.3349346 0.5748000 0.3244068), wk = 0.0030120 k( 194) = ( 0.3280569 0.5864364 0.3379237), wk = 0.0030120 k( 195) = ( 0.3211791 0.5980727 0.3514407), wk = 0.0030120 k( 196) = ( 0.3143014 0.6097091 0.3649576), wk = 0.0030120 k( 197) = ( 0.3074237 0.6213454 0.3784746), wk = 0.0030120 k( 198) = ( 0.3005460 0.6329818 0.3919915), wk = 0.0030120 k( 199) = ( 0.2936682 0.6446181 0.4055084), wk = 0.0030120 k( 200) = ( 0.2936682 0.6446181 0.4055084), wk = 0.0030120 k( 201) = ( 0.2763936 0.6402721 0.4105568), wk = 0.0030120 k( 202) = ( 0.2591190 0.6359262 0.4156052), wk = 0.0030120 k( 203) = ( 0.2418444 0.6315802 0.4206535), wk = 0.0030120 k( 204) = ( 0.2245698 0.6272342 0.4257019), wk = 0.0030120 k( 205) = ( 0.2072952 0.6228882 0.4307503), wk = 0.0030120 k( 206) = ( 0.1900206 0.6185422 0.4357986), wk = 0.0030120 k( 207) = ( 0.1727460 0.6141962 0.4408470), wk = 0.0030120 k( 208) = ( 0.1554714 0.6098502 0.4458954), wk = 0.0030120 k( 209) = ( 0.1381968 0.6055042 0.4509437), wk = 0.0030120 k( 210) = ( 0.1209222 0.6011582 0.4559921), wk = 0.0030120 k( 211) = ( 0.1036476 0.5968122 0.4610404), wk = 0.0030120 k( 212) = ( 0.0863730 0.5924662 0.4660888), wk = 0.0030120 k( 213) = ( 0.0690984 0.5881202 0.4711372), wk = 0.0030120 k( 214) = ( 0.0518238 0.5837743 0.4761855), wk = 0.0030120 k( 215) = ( 0.0345492 0.5794283 0.4812339), wk = 0.0030120 k( 216) = ( 0.0172746 0.5750823 0.4862823), wk = 0.0030120 k( 217) = ( 0.0000000 0.5707363 0.4913306), wk = 0.0030120 k( 218) = ( 0.0000000 0.5707363 0.4913306), wk = 0.0030120 k( 219) = ( 0.0069444 0.5589870 0.5049787), wk = 0.0030120 k( 220) = ( 0.0138889 0.5472378 0.5186268), wk = 0.0030120 k( 221) = ( 0.0208333 0.5354886 0.5322748), wk = 0.0030120 k( 222) = ( 0.0277778 0.5237393 0.5459229), wk = 0.0030120 k( 223) = ( 0.0347222 0.5119901 0.5595710), wk = 0.0030120 k( 224) = ( 0.0416667 0.5002408 0.5732191), wk = 0.0030120 k( 225) = ( 0.0486111 0.4884916 0.5868671), wk = 0.0030120 k( 226) = ( 0.0555556 0.4767424 0.6005152), wk = 0.0030120 k( 227) = ( 0.0625000 0.4649931 0.6141633), wk = 0.0030120 k( 228) = ( 0.0694444 0.4532439 0.6278113), wk = 0.0030120 k( 229) = ( 0.0763889 0.4414947 0.6414594), wk = 0.0030120 k( 230) = ( 0.0833333 0.4297454 0.6551075), wk = 0.0030120 k( 231) = ( 0.0902778 0.4179962 0.6687556), wk = 0.0030120 k( 232) = ( 0.0972222 0.4062470 0.6824036), wk = 0.0030120 k( 233) = ( 0.1041667 0.3944977 0.6960517), wk = 0.0030120 k( 234) = ( 0.1111111 0.3827485 0.7096998), wk = 0.0030120 k( 235) = ( 0.1180556 0.3709992 0.7233479), wk = 0.0030120 k( 236) = ( 0.1250000 0.3592500 0.7369959), wk = 0.0030120 k( 237) = ( 0.1319444 0.3475008 0.7506440), wk = 0.0030120 k( 238) = ( 0.1388889 0.3357515 0.7642921), wk = 0.0030120 k( 239) = ( 0.1458333 0.3240023 0.7779401), wk = 0.0030120 k( 240) = ( 0.1527778 0.3122530 0.7915882), wk = 0.0030120 k( 241) = ( 0.1597222 0.3005038 0.8052363), wk = 0.0030120 k( 242) = ( 0.1666667 0.2887546 0.8188844), wk = 0.0030120 k( 243) = ( 0.1736111 0.2770053 0.8325324), wk = 0.0030120 k( 244) = ( 0.1805556 0.2652561 0.8461805), wk = 0.0030120 k( 245) = ( 0.1875000 0.2535069 0.8598286), wk = 0.0030120 k( 246) = ( 0.1944444 0.2417576 0.8734766), wk = 0.0030120 k( 247) = ( 0.2013889 0.2300084 0.8871247), wk = 0.0030120 k( 248) = ( 0.2083333 0.2182592 0.9007728), wk = 0.0030120 k( 249) = ( 0.2152778 0.2065099 0.9144209), wk = 0.0030120 k( 250) = ( 0.2222222 0.1947607 0.9280689), wk = 0.0030120 k( 251) = ( 0.2291667 0.1830114 0.9417170), wk = 0.0030120 k( 252) = ( 0.2361111 0.1712622 0.9553651), wk = 0.0030120 k( 253) = ( 0.2430556 0.1595130 0.9690132), wk = 0.0030120 k( 254) = ( 0.2500000 0.1477637 0.9826612), wk = 0.0030120 k( 255) = ( 0.2500000 0.1477637 0.9826612), wk = 0.0030120 k( 256) = ( 0.2638889 0.1559728 0.9731254), wk = 0.0030120 k( 257) = ( 0.2777778 0.1641819 0.9635897), wk = 0.0030120 k( 258) = ( 0.2916667 0.1723910 0.9540538), wk = 0.0030120 k( 259) = ( 0.3055556 0.1806001 0.9445181), wk = 0.0030120 k( 260) = ( 0.3194444 0.1888092 0.9349822), wk = 0.0030120 k( 261) = ( 0.3333333 0.1970183 0.9254465), wk = 0.0030120 k( 262) = ( 0.3472222 0.2052274 0.9159107), wk = 0.0030120 k( 263) = ( 0.3611111 0.2134365 0.9063749), wk = 0.0030120 k( 264) = ( 0.3750000 0.2216456 0.8968391), wk = 0.0030120 k( 265) = ( 0.3888889 0.2298547 0.8873033), wk = 0.0030120 k( 266) = ( 0.4027778 0.2380638 0.8777675), wk = 0.0030120 k( 267) = ( 0.4166667 0.2462729 0.8682317), wk = 0.0030120 k( 268) = ( 0.4305556 0.2544820 0.8586959), wk = 0.0030120 k( 269) = ( 0.4444444 0.2626911 0.8491601), wk = 0.0030120 k( 270) = ( 0.4583333 0.2709002 0.8396243), wk = 0.0030120 k( 271) = ( 0.4722222 0.2791093 0.8300885), wk = 0.0030120 k( 272) = ( 0.4861111 0.2873184 0.8205527), wk = 0.0030120 k( 273) = ( 0.5000000 0.2955275 0.8110169), wk = 0.0030120 k( 274) = ( 0.5000000 0.2955275 0.8110169), wk = 0.0030120 k( 275) = ( 0.5000000 0.2955275 0.7917070), wk = 0.0030120 k( 276) = ( 0.5000000 0.2955275 0.7723970), wk = 0.0030120 k( 277) = ( 0.5000000 0.2955275 0.7530871), wk = 0.0030120 k( 278) = ( 0.5000000 0.2955275 0.7337772), wk = 0.0030120 k( 279) = ( 0.5000000 0.2955275 0.7144673), wk = 0.0030120 k( 280) = ( 0.5000000 0.2955275 0.6951573), wk = 0.0030120 k( 281) = ( 0.5000000 0.2955275 0.6758474), wk = 0.0030120 k( 282) = ( 0.5000000 0.2955275 0.6565375), wk = 0.0030120 k( 283) = ( 0.5000000 0.2955275 0.6372276), wk = 0.0030120 k( 284) = ( 0.5000000 0.2955275 0.6179176), wk = 0.0030120 k( 285) = ( 0.5000000 0.2955275 0.5986077), wk = 0.0030120 k( 286) = ( 0.5000000 0.2955275 0.5792978), wk = 0.0030120 k( 287) = ( 0.5000000 0.2955275 0.5599879), wk = 0.0030120 k( 288) = ( 0.5000000 0.2955275 0.5406779), wk = 0.0030120 k( 289) = ( 0.5000000 0.2955275 0.5213680), wk = 0.0030120 k( 290) = ( 0.5000000 0.2955275 0.5020581), wk = 0.0030120 k( 291) = ( 0.5000000 0.2955275 0.4827482), wk = 0.0030120 k( 292) = ( 0.5000000 0.2955275 0.4634382), wk = 0.0030120 k( 293) = ( 0.5000000 0.2955275 0.4441283), wk = 0.0030120 k( 294) = ( 0.5000000 0.2955275 0.4248184), wk = 0.0030120 k( 295) = ( 0.5000000 0.2955275 0.4055084), wk = 0.0030120 k( 296) = ( 0.5000000 0.2955275 0.3861985), wk = 0.0030120 k( 297) = ( 0.5000000 0.2955275 0.3668886), wk = 0.0030120 k( 298) = ( 0.5000000 0.2955275 0.3475787), wk = 0.0030120 k( 299) = ( 0.5000000 0.2955275 0.3282687), wk = 0.0030120 k( 300) = ( 0.5000000 0.2955275 0.3089588), wk = 0.0030120 k( 301) = ( 0.5000000 0.2955275 0.2896489), wk = 0.0030120 k( 302) = ( 0.5000000 0.2955275 0.2703390), wk = 0.0030120 k( 303) = ( 0.5000000 0.2955275 0.2510290), wk = 0.0030120 k( 304) = ( 0.5000000 0.2955275 0.2317191), wk = 0.0030120 k( 305) = ( 0.5000000 0.2955275 0.2124092), wk = 0.0030120 k( 306) = ( 0.5000000 0.2955275 0.1930993), wk = 0.0030120 k( 307) = ( 0.5000000 0.2955275 0.1737893), wk = 0.0030120 k( 308) = ( 0.5000000 0.2955275 0.1544794), wk = 0.0030120 k( 309) = ( 0.5000000 0.2955275 0.1351695), wk = 0.0030120 k( 310) = ( 0.5000000 0.2955275 0.1158596), wk = 0.0030120 k( 311) = ( 0.5000000 0.2955275 0.0965496), wk = 0.0030120 k( 312) = ( 0.5000000 0.2955275 0.0772397), wk = 0.0030120 k( 313) = ( 0.5000000 0.2955275 0.0579298), wk = 0.0030120 k( 314) = ( 0.5000000 0.2955275 0.0386198), wk = 0.0030120 k( 315) = ( 0.5000000 0.2955275 0.0193099), wk = 0.0030120 k( 316) = ( 0.5000000 0.2955275 -0.0000000), wk = 0.0030120 k( 317) = ( 0.0000000 0.0000000 0.9826612), wk = 0.0030120 k( 318) = ( 0.0166667 0.0098509 0.9826612), wk = 0.0030120 k( 319) = ( 0.0333333 0.0197018 0.9826612), wk = 0.0030120 k( 320) = ( 0.0500000 0.0295527 0.9826612), wk = 0.0030120 k( 321) = ( 0.0666667 0.0394037 0.9826612), wk = 0.0030120 k( 322) = ( 0.0833333 0.0492546 0.9826612), wk = 0.0030120 k( 323) = ( 0.1000000 0.0591055 0.9826612), wk = 0.0030120 k( 324) = ( 0.1166667 0.0689564 0.9826612), wk = 0.0030120 k( 325) = ( 0.1333333 0.0788073 0.9826612), wk = 0.0030120 k( 326) = ( 0.1500000 0.0886582 0.9826612), wk = 0.0030120 k( 327) = ( 0.1666667 0.0985092 0.9826612), wk = 0.0030120 k( 328) = ( 0.1833333 0.1083601 0.9826612), wk = 0.0030120 k( 329) = ( 0.2000000 0.1182110 0.9826612), wk = 0.0030120 k( 330) = ( 0.2166667 0.1280619 0.9826612), wk = 0.0030120 k( 331) = ( 0.2333333 0.1379128 0.9826612), wk = 0.0030120 k( 332) = ( 0.2500000 0.1477637 0.9826612), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0030120 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0030120 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0030120 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0030120 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0030120 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0030120 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0030120 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0030120 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0030120 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0030120 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0030120 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0030120 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0030120 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0030120 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0030120 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0030120 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030120 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0030120 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0030120 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0030120 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0030120 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0030120 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0030120 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0030120 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0030120 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0030120 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0030120 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0030120 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0030120 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0030120 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0030120 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0030120 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0030120 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030120 k( 36) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0030120 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0030120 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0030120 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0030120 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0030120 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0030120 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0030120 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0030120 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0030120 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0030120 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0030120 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0030120 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0030120 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0030120 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0030120 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0030120 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 54) = ( -0.0097041 0.0097041 0.5000000), wk = 0.0030120 k( 55) = ( -0.0194081 0.0194081 0.5000000), wk = 0.0030120 k( 56) = ( -0.0291122 0.0291122 0.5000000), wk = 0.0030120 k( 57) = ( -0.0388162 0.0388162 0.5000000), wk = 0.0030120 k( 58) = ( -0.0485203 0.0485203 0.5000000), wk = 0.0030120 k( 59) = ( -0.0582243 0.0582243 0.5000000), wk = 0.0030120 k( 60) = ( -0.0679284 0.0679284 0.5000000), wk = 0.0030120 k( 61) = ( -0.0776324 0.0776324 0.5000000), wk = 0.0030120 k( 62) = ( -0.0873365 0.0873365 0.5000000), wk = 0.0030120 k( 63) = ( -0.0873365 0.0873365 0.5000000), wk = 0.0030120 k( 64) = ( -0.0942142 0.0942142 0.4931223), wk = 0.0030120 k( 65) = ( -0.1010919 0.1010919 0.4862445), wk = 0.0030120 k( 66) = ( -0.1079697 0.1079697 0.4793668), wk = 0.0030120 k( 67) = ( -0.1148474 0.1148474 0.4724891), wk = 0.0030120 k( 68) = ( -0.1217251 0.1217251 0.4656114), wk = 0.0030120 k( 69) = ( -0.1286028 0.1286028 0.4587336), wk = 0.0030120 k( 70) = ( -0.1354806 0.1354806 0.4518559), wk = 0.0030120 k( 71) = ( -0.1423583 0.1423583 0.4449782), wk = 0.0030120 k( 72) = ( -0.1492360 0.1492360 0.4381005), wk = 0.0030120 k( 73) = ( -0.1561137 0.1561137 0.4312227), wk = 0.0030120 k( 74) = ( -0.1629915 0.1629915 0.4243450), wk = 0.0030120 k( 75) = ( -0.1698692 0.1698692 0.4174673), wk = 0.0030120 k( 76) = ( -0.1767469 0.1767469 0.4105896), wk = 0.0030120 k( 77) = ( -0.1836246 0.1836246 0.4037118), wk = 0.0030120 k( 78) = ( -0.1905024 0.1905024 0.3968341), wk = 0.0030120 k( 79) = ( -0.1973801 0.1973801 0.3899564), wk = 0.0030120 k( 80) = ( -0.2042578 0.2042578 0.3830787), wk = 0.0030120 k( 81) = ( -0.2111355 0.2111355 0.3762009), wk = 0.0030120 k( 82) = ( -0.2180133 0.2180133 0.3693232), wk = 0.0030120 k( 83) = ( -0.2248910 0.2248910 0.3624455), wk = 0.0030120 k( 84) = ( -0.2317687 0.2317687 0.3555678), wk = 0.0030120 k( 85) = ( -0.2386464 0.2386464 0.3486900), wk = 0.0030120 k( 86) = ( -0.2455242 0.2455242 0.3418123), wk = 0.0030120 k( 87) = ( -0.2524019 0.2524019 0.3349346), wk = 0.0030120 k( 88) = ( -0.2592796 0.2592796 0.3280569), wk = 0.0030120 k( 89) = ( -0.2661573 0.2661573 0.3211791), wk = 0.0030120 k( 90) = ( -0.2730351 0.2730351 0.3143014), wk = 0.0030120 k( 91) = ( -0.2799128 0.2799128 0.3074237), wk = 0.0030120 k( 92) = ( -0.2867905 0.2867905 0.3005460), wk = 0.0030120 k( 93) = ( -0.2936682 0.2936682 0.2936682), wk = 0.0030120 k( 94) = ( -0.2936682 0.2936682 0.2936682), wk = 0.0030120 k( 95) = ( -0.2868387 0.2868387 0.2868387), wk = 0.0030120 k( 96) = ( -0.2800092 0.2800093 0.2800092), wk = 0.0030120 k( 97) = ( -0.2731798 0.2731798 0.2731798), wk = 0.0030120 k( 98) = ( -0.2663503 0.2663503 0.2663503), wk = 0.0030120 k( 99) = ( -0.2595208 0.2595208 0.2595208), wk = 0.0030120 k( 100) = ( -0.2526913 0.2526913 0.2526913), wk = 0.0030120 k( 101) = ( -0.2458618 0.2458618 0.2458618), wk = 0.0030120 k( 102) = ( -0.2390323 0.2390323 0.2390323), wk = 0.0030120 k( 103) = ( -0.2322028 0.2322028 0.2322028), wk = 0.0030120 k( 104) = ( -0.2253733 0.2253733 0.2253733), wk = 0.0030120 k( 105) = ( -0.2185438 0.2185438 0.2185438), wk = 0.0030120 k( 106) = ( -0.2117143 0.2117143 0.2117143), wk = 0.0030120 k( 107) = ( -0.2048848 0.2048848 0.2048848), wk = 0.0030120 k( 108) = ( -0.1980553 0.1980553 0.1980553), wk = 0.0030120 k( 109) = ( -0.1912258 0.1912258 0.1912258), wk = 0.0030120 k( 110) = ( -0.1843963 0.1843963 0.1843963), wk = 0.0030120 k( 111) = ( -0.1775668 0.1775668 0.1775668), wk = 0.0030120 k( 112) = ( -0.1707374 0.1707374 0.1707374), wk = 0.0030120 k( 113) = ( -0.1639078 0.1639079 0.1639078), wk = 0.0030120 k( 114) = ( -0.1570784 0.1570784 0.1570784), wk = 0.0030120 k( 115) = ( -0.1502489 0.1502489 0.1502489), wk = 0.0030120 k( 116) = ( -0.1434194 0.1434194 0.1434194), wk = 0.0030120 k( 117) = ( -0.1365899 0.1365899 0.1365899), wk = 0.0030120 k( 118) = ( -0.1297604 0.1297604 0.1297604), wk = 0.0030120 k( 119) = ( -0.1229309 0.1229309 0.1229309), wk = 0.0030120 k( 120) = ( -0.1161014 0.1161014 0.1161014), wk = 0.0030120 k( 121) = ( -0.1092719 0.1092719 0.1092719), wk = 0.0030120 k( 122) = ( -0.1024424 0.1024424 0.1024424), wk = 0.0030120 k( 123) = ( -0.0956129 0.0956129 0.0956129), wk = 0.0030120 k( 124) = ( -0.0887834 0.0887834 0.0887834), wk = 0.0030120 k( 125) = ( -0.0819539 0.0819539 0.0819539), wk = 0.0030120 k( 126) = ( -0.0751244 0.0751244 0.0751244), wk = 0.0030120 k( 127) = ( -0.0682949 0.0682949 0.0682949), wk = 0.0030120 k( 128) = ( -0.0614654 0.0614655 0.0614654), wk = 0.0030120 k( 129) = ( -0.0546360 0.0546360 0.0546359), wk = 0.0030120 k( 130) = ( -0.0478065 0.0478065 0.0478065), wk = 0.0030120 k( 131) = ( -0.0409770 0.0409770 0.0409770), wk = 0.0030120 k( 132) = ( -0.0341475 0.0341475 0.0341475), wk = 0.0030120 k( 133) = ( -0.0273180 0.0273180 0.0273180), wk = 0.0030120 k( 134) = ( -0.0204885 0.0204885 0.0204885), wk = 0.0030120 k( 135) = ( -0.0136590 0.0136590 0.0136590), wk = 0.0030120 k( 136) = ( -0.0068295 0.0068295 0.0068295), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 139) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0030120 k( 140) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0030120 k( 141) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0030120 k( 142) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0030120 k( 143) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0030120 k( 144) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0030120 k( 145) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0030120 k( 146) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0030120 k( 147) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0030120 k( 148) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0030120 k( 149) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0030120 k( 150) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0030120 k( 151) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0030120 k( 152) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0030120 k( 153) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0030120 k( 154) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0030120 k( 155) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0030120 k( 156) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0030120 k( 157) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0030120 k( 158) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0030120 k( 159) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0030120 k( 160) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0030120 k( 161) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0030120 k( 162) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0030120 k( 163) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0030120 k( 164) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0030120 k( 165) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0030120 k( 166) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0030120 k( 167) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0030120 k( 168) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 169) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 170) = ( 0.4931223 0.5068777 -0.4931223), wk = 0.0030120 k( 171) = ( 0.4862445 0.5137555 -0.4862446), wk = 0.0030120 k( 172) = ( 0.4793668 0.5206332 -0.4793668), wk = 0.0030120 k( 173) = ( 0.4724891 0.5275109 -0.4724891), wk = 0.0030120 k( 174) = ( 0.4656114 0.5343886 -0.4656114), wk = 0.0030120 k( 175) = ( 0.4587336 0.5412664 -0.4587336), wk = 0.0030120 k( 176) = ( 0.4518559 0.5481441 -0.4518559), wk = 0.0030120 k( 177) = ( 0.4449782 0.5550218 -0.4449782), wk = 0.0030120 k( 178) = ( 0.4381005 0.5618995 -0.4381005), wk = 0.0030120 k( 179) = ( 0.4312227 0.5687773 -0.4312228), wk = 0.0030120 k( 180) = ( 0.4243450 0.5756550 -0.4243450), wk = 0.0030120 k( 181) = ( 0.4174673 0.5825327 -0.4174673), wk = 0.0030120 k( 182) = ( 0.4105896 0.5894104 -0.4105896), wk = 0.0030120 k( 183) = ( 0.4037118 0.5962882 -0.4037118), wk = 0.0030120 k( 184) = ( 0.3968341 0.6031659 -0.3968341), wk = 0.0030120 k( 185) = ( 0.3899564 0.6100436 -0.3899564), wk = 0.0030120 k( 186) = ( 0.3830787 0.6169213 -0.3830787), wk = 0.0030120 k( 187) = ( 0.3762009 0.6237991 -0.3762009), wk = 0.0030120 k( 188) = ( 0.3693232 0.6306768 -0.3693232), wk = 0.0030120 k( 189) = ( 0.3624455 0.6375545 -0.3624455), wk = 0.0030120 k( 190) = ( 0.3555678 0.6444322 -0.3555678), wk = 0.0030120 k( 191) = ( 0.3486900 0.6513100 -0.3486900), wk = 0.0030120 k( 192) = ( 0.3418123 0.6581877 -0.3418123), wk = 0.0030120 k( 193) = ( 0.3349346 0.6650654 -0.3349346), wk = 0.0030120 k( 194) = ( 0.3280569 0.6719431 -0.3280569), wk = 0.0030120 k( 195) = ( 0.3211791 0.6788209 -0.3211791), wk = 0.0030120 k( 196) = ( 0.3143014 0.6856986 -0.3143014), wk = 0.0030120 k( 197) = ( 0.3074237 0.6925763 -0.3074237), wk = 0.0030120 k( 198) = ( 0.3005460 0.6994540 -0.3005460), wk = 0.0030120 k( 199) = ( 0.2936682 0.7063318 -0.2936682), wk = 0.0030120 k( 200) = ( 0.2936682 0.7063318 -0.2936682), wk = 0.0030120 k( 201) = ( 0.2763936 0.6941946 -0.2763936), wk = 0.0030120 k( 202) = ( 0.2591190 0.6820574 -0.2591190), wk = 0.0030120 k( 203) = ( 0.2418444 0.6699203 -0.2418444), wk = 0.0030120 k( 204) = ( 0.2245698 0.6577831 -0.2245698), wk = 0.0030120 k( 205) = ( 0.2072952 0.6456460 -0.2072952), wk = 0.0030120 k( 206) = ( 0.1900206 0.6335088 -0.1900206), wk = 0.0030120 k( 207) = ( 0.1727460 0.6213716 -0.1727460), wk = 0.0030120 k( 208) = ( 0.1554714 0.6092345 -0.1554714), wk = 0.0030120 k( 209) = ( 0.1381968 0.5970973 -0.1381968), wk = 0.0030120 k( 210) = ( 0.1209222 0.5849601 -0.1209222), wk = 0.0030120 k( 211) = ( 0.1036476 0.5728230 -0.1036476), wk = 0.0030120 k( 212) = ( 0.0863730 0.5606858 -0.0863730), wk = 0.0030120 k( 213) = ( 0.0690984 0.5485486 -0.0690984), wk = 0.0030120 k( 214) = ( 0.0518238 0.5364115 -0.0518238), wk = 0.0030120 k( 215) = ( 0.0345492 0.5242743 -0.0345492), wk = 0.0030120 k( 216) = ( 0.0172746 0.5121372 -0.0172746), wk = 0.0030120 k( 217) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 218) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 219) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0030120 k( 220) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0030120 k( 221) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0030120 k( 222) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0030120 k( 223) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0030120 k( 224) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0030120 k( 225) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0030120 k( 226) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0030120 k( 227) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030120 k( 228) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0030120 k( 229) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0030120 k( 230) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030120 k( 231) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0030120 k( 232) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0030120 k( 233) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0030120 k( 234) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0030120 k( 235) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0030120 k( 236) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030120 k( 237) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0030120 k( 238) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0030120 k( 239) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0030120 k( 240) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0030120 k( 241) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0030120 k( 242) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030120 k( 243) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0030120 k( 244) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0030120 k( 245) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030120 k( 246) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0030120 k( 247) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0030120 k( 248) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0030120 k( 249) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0030120 k( 250) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0030120 k( 251) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0030120 k( 252) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0030120 k( 253) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0030120 k( 254) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 k( 255) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 k( 256) = ( 0.2638889 0.2638889 0.2312591), wk = 0.0030120 k( 257) = ( 0.2777778 0.2777778 0.2125182), wk = 0.0030120 k( 258) = ( 0.2916667 0.2916667 0.1937773), wk = 0.0030120 k( 259) = ( 0.3055556 0.3055556 0.1750363), wk = 0.0030120 k( 260) = ( 0.3194444 0.3194444 0.1562954), wk = 0.0030120 k( 261) = ( 0.3333333 0.3333333 0.1375545), wk = 0.0030120 k( 262) = ( 0.3472222 0.3472222 0.1188136), wk = 0.0030120 k( 263) = ( 0.3611111 0.3611111 0.1000727), wk = 0.0030120 k( 264) = ( 0.3750000 0.3750000 0.0813318), wk = 0.0030120 k( 265) = ( 0.3888889 0.3888889 0.0625908), wk = 0.0030120 k( 266) = ( 0.4027778 0.4027778 0.0438499), wk = 0.0030120 k( 267) = ( 0.4166667 0.4166667 0.0251090), wk = 0.0030120 k( 268) = ( 0.4305556 0.4305556 0.0063681), wk = 0.0030120 k( 269) = ( 0.4444444 0.4444444 -0.0123728), wk = 0.0030120 k( 270) = ( 0.4583333 0.4583333 -0.0311137), wk = 0.0030120 k( 271) = ( 0.4722222 0.4722222 -0.0498546), wk = 0.0030120 k( 272) = ( 0.4861111 0.4861111 -0.0685956), wk = 0.0030120 k( 273) = ( 0.5000000 0.5000000 -0.0873365), wk = 0.0030120 k( 274) = ( 0.5000000 0.5000000 -0.0873365), wk = 0.0030120 k( 275) = ( 0.5000000 0.5000000 -0.0971618), wk = 0.0030120 k( 276) = ( 0.5000000 0.5000000 -0.1069871), wk = 0.0030120 k( 277) = ( 0.5000000 0.5000000 -0.1168124), wk = 0.0030120 k( 278) = ( 0.5000000 0.5000000 -0.1266378), wk = 0.0030120 k( 279) = ( 0.5000000 0.5000000 -0.1364631), wk = 0.0030120 k( 280) = ( 0.5000000 0.5000000 -0.1462884), wk = 0.0030120 k( 281) = ( 0.5000000 0.5000000 -0.1561137), wk = 0.0030120 k( 282) = ( 0.5000000 0.5000000 -0.1659390), wk = 0.0030120 k( 283) = ( 0.5000000 0.5000000 -0.1757644), wk = 0.0030120 k( 284) = ( 0.5000000 0.5000000 -0.1855897), wk = 0.0030120 k( 285) = ( 0.5000000 0.5000000 -0.1954150), wk = 0.0030120 k( 286) = ( 0.5000000 0.5000000 -0.2052403), wk = 0.0030120 k( 287) = ( 0.5000000 0.5000000 -0.2150657), wk = 0.0030120 k( 288) = ( 0.5000000 0.5000000 -0.2248910), wk = 0.0030120 k( 289) = ( 0.5000000 0.5000000 -0.2347163), wk = 0.0030120 k( 290) = ( 0.5000000 0.5000000 -0.2445416), wk = 0.0030120 k( 291) = ( 0.5000000 0.5000000 -0.2543669), wk = 0.0030120 k( 292) = ( 0.5000000 0.5000000 -0.2641923), wk = 0.0030120 k( 293) = ( 0.5000000 0.5000000 -0.2740176), wk = 0.0030120 k( 294) = ( 0.5000000 0.5000000 -0.2838429), wk = 0.0030120 k( 295) = ( 0.5000000 0.5000000 -0.2936682), wk = 0.0030120 k( 296) = ( 0.5000000 0.5000000 -0.3034936), wk = 0.0030120 k( 297) = ( 0.5000000 0.5000000 -0.3133189), wk = 0.0030120 k( 298) = ( 0.5000000 0.5000000 -0.3231442), wk = 0.0030120 k( 299) = ( 0.5000000 0.5000000 -0.3329695), wk = 0.0030120 k( 300) = ( 0.5000000 0.5000000 -0.3427948), wk = 0.0030120 k( 301) = ( 0.5000000 0.5000000 -0.3526202), wk = 0.0030120 k( 302) = ( 0.5000000 0.5000000 -0.3624455), wk = 0.0030120 k( 303) = ( 0.5000000 0.5000000 -0.3722708), wk = 0.0030120 k( 304) = ( 0.5000000 0.5000000 -0.3820961), wk = 0.0030120 k( 305) = ( 0.5000000 0.5000000 -0.3919215), wk = 0.0030120 k( 306) = ( 0.5000000 0.5000000 -0.4017468), wk = 0.0030120 k( 307) = ( 0.5000000 0.5000000 -0.4115721), wk = 0.0030120 k( 308) = ( 0.5000000 0.5000000 -0.4213974), wk = 0.0030120 k( 309) = ( 0.5000000 0.5000000 -0.4312227), wk = 0.0030120 k( 310) = ( 0.5000000 0.5000000 -0.4410481), wk = 0.0030120 k( 311) = ( 0.5000000 0.5000000 -0.4508734), wk = 0.0030120 k( 312) = ( 0.5000000 0.5000000 -0.4606987), wk = 0.0030120 k( 313) = ( 0.5000000 0.5000000 -0.4705240), wk = 0.0030120 k( 314) = ( 0.5000000 0.5000000 -0.4803494), wk = 0.0030120 k( 315) = ( 0.5000000 0.5000000 -0.4901747), wk = 0.0030120 k( 316) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030120 k( 317) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 318) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0030120 k( 319) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0030120 k( 320) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0030120 k( 321) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0030120 k( 322) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030120 k( 323) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0030120 k( 324) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0030120 k( 325) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0030120 k( 326) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0030120 k( 327) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030120 k( 328) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0030120 k( 329) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0030120 k( 330) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0030120 k( 331) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0030120 k( 332) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030120 Dense grid: 48911 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 28635 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 206, 48) NL pseudopotentials 0.27 Mb ( 103, 170) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1359) G-vector shells 0.00 Mb ( 649) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 206, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.25 Mb ( 170, 2, 48) The potential is recalculated from file : ./SrxSiAgx2.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 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.6 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.8 secs Computing kpt #: 14 total cpu time spent up to now is 10.3 secs Computing kpt #: 15 total cpu time spent up to now is 10.8 secs Computing kpt #: 16 total cpu time spent up to now is 11.4 secs Computing kpt #: 17 total cpu time spent up to now is 11.9 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 13.0 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.5 secs Computing kpt #: 23 total cpu time spent up to now is 15.1 secs Computing kpt #: 24 total cpu time spent up to now is 15.6 secs Computing kpt #: 25 total cpu time spent up to now is 16.2 secs Computing kpt #: 26 total cpu time spent up to now is 16.8 secs Computing kpt #: 27 total cpu time spent up to now is 17.3 secs Computing kpt #: 28 total cpu time spent up to now is 17.9 secs Computing kpt #: 29 total cpu time spent up to now is 18.5 secs Computing kpt #: 30 total cpu time spent up to now is 19.0 secs Computing kpt #: 31 total cpu time spent up to now is 19.5 secs Computing kpt #: 32 total cpu time spent up to now is 20.1 secs Computing kpt #: 33 total cpu time spent up to now is 20.6 secs Computing kpt #: 34 total cpu time spent up to now is 21.1 secs Computing kpt #: 35 total cpu time spent up to now is 21.6 secs Computing kpt #: 36 total cpu time spent up to now is 22.1 secs Computing kpt #: 37 total cpu time spent up to now is 22.6 secs Computing kpt #: 38 total cpu time spent up to now is 23.1 secs Computing kpt #: 39 total cpu time spent up to now is 23.6 secs Computing kpt #: 40 total cpu time spent up to now is 24.1 secs Computing kpt #: 41 total cpu time spent up to now is 24.6 secs Computing kpt #: 42 total cpu time spent up to now is 25.1 secs Computing kpt #: 43 total cpu time spent up to now is 25.5 secs Computing kpt #: 44 total cpu time spent up to now is 26.0 secs Computing kpt #: 45 total cpu time spent up to now is 26.5 secs Computing kpt #: 46 total cpu time spent up to now is 27.0 secs Computing kpt #: 47 total cpu time spent up to now is 27.5 secs Computing kpt #: 48 total cpu time spent up to now is 28.0 secs Computing kpt #: 49 total cpu time spent up to now is 28.5 secs Computing kpt #: 50 total cpu time spent up to now is 29.0 secs Computing kpt #: 51 total cpu time spent up to now is 29.4 secs Computing kpt #: 52 total cpu time spent up to now is 29.9 secs Computing kpt #: 53 total cpu time spent up to now is 30.4 secs Computing kpt #: 54 total cpu time spent up to now is 30.8 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 32.3 secs Computing kpt #: 58 total cpu time spent up to now is 32.8 secs Computing kpt #: 59 total cpu time spent up to now is 33.3 secs Computing kpt #: 60 total cpu time spent up to now is 33.8 secs Computing kpt #: 61 total cpu time spent up to now is 34.4 secs Computing kpt #: 62 total cpu time spent up to now is 34.9 secs Computing kpt #: 63 total cpu time spent up to now is 35.4 secs Computing kpt #: 64 total cpu time spent up to now is 35.9 secs Computing kpt #: 65 total cpu time spent up to now is 36.4 secs Computing kpt #: 66 total cpu time spent up to now is 37.0 secs Computing kpt #: 67 total cpu time spent up to now is 37.5 secs Computing kpt #: 68 total cpu time spent up to now is 38.0 secs Computing kpt #: 69 total cpu time spent up to now is 38.5 secs Computing kpt #: 70 total cpu time spent up to now is 39.0 secs Computing kpt #: 71 total cpu time spent up to now is 39.5 secs Computing kpt #: 72 total cpu time spent up to now is 40.0 secs Computing kpt #: 73 total cpu time spent up to now is 40.5 secs Computing kpt #: 74 total cpu time spent up to now is 41.0 secs Computing kpt #: 75 total cpu time spent up to now is 41.5 secs Computing kpt #: 76 total cpu time spent up to now is 42.0 secs Computing kpt #: 77 total cpu time spent up to now is 42.5 secs Computing kpt #: 78 total cpu time spent up to now is 43.0 secs Computing kpt #: 79 total cpu time spent up to now is 43.5 secs Computing kpt #: 80 total cpu time spent up to now is 44.0 secs Computing kpt #: 81 total cpu time spent up to now is 44.6 secs Computing kpt #: 82 total cpu time spent up to now is 45.1 secs Computing kpt #: 83 total cpu time spent up to now is 45.6 secs Computing kpt #: 84 total cpu time spent up to now is 46.1 secs Computing kpt #: 85 total cpu time spent up to now is 46.6 secs Computing kpt #: 86 total cpu time spent up to now is 47.1 secs Computing kpt #: 87 total cpu time spent up to now is 47.7 secs Computing kpt #: 88 total cpu time spent up to now is 48.2 secs Computing kpt #: 89 total cpu time spent up to now is 48.8 secs Computing kpt #: 90 total cpu time spent up to now is 49.3 secs Computing kpt #: 91 total cpu time spent up to now is 49.9 secs Computing kpt #: 92 total cpu time spent up to now is 50.4 secs Computing kpt #: 93 total cpu time spent up to now is 51.0 secs Computing kpt #: 94 total cpu time spent up to now is 51.5 secs Computing kpt #: 95 total cpu time spent up to now is 52.0 secs Computing kpt #: 96 total cpu time spent up to now is 52.6 secs Computing kpt #: 97 total cpu time spent up to now is 53.1 secs Computing kpt #: 98 total cpu time spent up to now is 53.6 secs Computing kpt #: 99 total cpu time spent up to now is 54.2 secs Computing kpt #: 100 total cpu time spent up to now is 54.7 secs Computing kpt #: 101 total cpu time spent up to now is 55.2 secs Computing kpt #: 102 total cpu time spent up to now is 55.7 secs Computing kpt #: 103 total cpu time spent up to now is 56.3 secs Computing kpt #: 104 total cpu time spent up to now is 56.8 secs Computing kpt #: 105 total cpu time spent up to now is 57.4 secs Computing kpt #: 106 total cpu time spent up to now is 57.9 secs Computing kpt #: 107 total cpu time spent up to now is 58.5 secs Computing kpt #: 108 total cpu time spent up to now is 59.0 secs Computing kpt #: 109 total cpu time spent up to now is 59.5 secs Computing kpt #: 110 total cpu time spent up to now is 60.1 secs Computing kpt #: 111 total cpu time spent up to now is 60.6 secs Computing kpt #: 112 total cpu time spent up to now is 61.2 secs Computing kpt #: 113 total cpu time spent up to now is 61.7 secs Computing kpt #: 114 total cpu time spent up to now is 62.3 secs Computing kpt #: 115 total cpu time spent up to now is 62.8 secs Computing kpt #: 116 total cpu time spent up to now is 63.4 secs Computing kpt #: 117 total cpu time spent up to now is 64.0 secs Computing kpt #: 118 total cpu time spent up to now is 64.5 secs Computing kpt #: 119 total cpu time spent up to now is 65.1 secs Computing kpt #: 120 total cpu time spent up to now is 65.6 secs Computing kpt #: 121 total cpu time spent up to now is 66.2 secs Computing kpt #: 122 total cpu time spent up to now is 66.8 secs Computing kpt #: 123 total cpu time spent up to now is 67.3 secs Computing kpt #: 124 total cpu time spent up to now is 67.8 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 69.5 secs Computing kpt #: 128 total cpu time spent up to now is 70.0 secs Computing kpt #: 129 total cpu time spent up to now is 70.5 secs Computing kpt #: 130 total cpu time spent up to now is 71.0 secs Computing kpt #: 131 total cpu time spent up to now is 71.6 secs Computing kpt #: 132 total cpu time spent up to now is 72.1 secs Computing kpt #: 133 total cpu time spent up to now is 72.6 secs Computing kpt #: 134 total cpu time spent up to now is 73.1 secs Computing kpt #: 135 total cpu time spent up to now is 73.6 secs Computing kpt #: 136 total cpu time spent up to now is 74.1 secs Computing kpt #: 137 total cpu time spent up to now is 74.6 secs Computing kpt #: 138 total cpu time spent up to now is 75.1 secs Computing kpt #: 139 total cpu time spent up to now is 75.6 secs Computing kpt #: 140 total cpu time spent up to now is 76.2 secs Computing kpt #: 141 total cpu time spent up to now is 76.7 secs Computing kpt #: 142 total cpu time spent up to now is 77.2 secs Computing kpt #: 143 total cpu time spent up to now is 77.8 secs Computing kpt #: 144 total cpu time spent up to now is 78.3 secs Computing kpt #: 145 total cpu time spent up to now is 78.8 secs Computing kpt #: 146 total cpu time spent up to now is 79.4 secs Computing kpt #: 147 total cpu time spent up to now is 79.9 secs Computing kpt #: 148 total cpu time spent up to now is 80.4 secs Computing kpt #: 149 total cpu time spent up to now is 81.0 secs Computing kpt #: 150 total cpu time spent up to now is 81.5 secs Computing kpt #: 151 total cpu time spent up to now is 82.1 secs Computing kpt #: 152 total cpu time spent up to now is 82.6 secs Computing kpt #: 153 total cpu time spent up to now is 83.2 secs Computing kpt #: 154 total cpu time spent up to now is 83.9 secs Computing kpt #: 155 total cpu time spent up to now is 84.7 secs Computing kpt #: 156 total cpu time spent up to now is 85.8 secs Computing kpt #: 157 total cpu time spent up to now is 86.3 secs Computing kpt #: 158 total cpu time spent up to now is 86.9 secs Computing kpt #: 159 total cpu time spent up to now is 87.4 secs Computing kpt #: 160 total cpu time spent up to now is 87.9 secs Computing kpt #: 161 total cpu time spent up to now is 88.4 secs Computing kpt #: 162 total cpu time spent up to now is 89.0 secs Computing kpt #: 163 total cpu time spent up to now is 89.5 secs Computing kpt #: 164 total cpu time spent up to now is 90.0 secs Computing kpt #: 165 total cpu time spent up to now is 90.5 secs Computing kpt #: 166 total cpu time spent up to now is 91.1 secs Computing kpt #: 167 total cpu time spent up to now is 91.6 secs Computing kpt #: 168 total cpu time spent up to now is 92.1 secs Computing kpt #: 169 total cpu time spent up to now is 92.6 secs Computing kpt #: 170 total cpu time spent up to now is 93.2 secs Computing kpt #: 171 total cpu time spent up to now is 93.7 secs Computing kpt #: 172 total cpu time spent up to now is 94.2 secs Computing kpt #: 173 total cpu time spent up to now is 94.7 secs Computing kpt #: 174 total cpu time spent up to now is 95.2 secs Computing kpt #: 175 total cpu time spent up to now is 95.8 secs Computing kpt #: 176 total cpu time spent up to now is 96.3 secs Computing kpt #: 177 total cpu time spent up to now is 96.8 secs Computing kpt #: 178 total cpu time spent up to now is 97.3 secs Computing kpt #: 179 total cpu time spent up to now is 97.9 secs Computing kpt #: 180 total cpu time spent up to now is 98.4 secs Computing kpt #: 181 total cpu time spent up to now is 99.0 secs Computing kpt #: 182 total cpu time spent up to now is 99.5 secs Computing kpt #: 183 total cpu time spent up to now is 100.0 secs Computing kpt #: 184 total cpu time spent up to now is 100.5 secs Computing kpt #: 185 total cpu time spent up to now is 101.1 secs Computing kpt #: 186 total cpu time spent up to now is 101.6 secs Computing kpt #: 187 total cpu time spent up to now is 102.2 secs Computing kpt #: 188 total cpu time spent up to now is 102.7 secs Computing kpt #: 189 total cpu time spent up to now is 103.2 secs Computing kpt #: 190 total cpu time spent up to now is 103.8 secs Computing kpt #: 191 total cpu time spent up to now is 104.4 secs Computing kpt #: 192 total cpu time spent up to now is 105.0 secs Computing kpt #: 193 total cpu time spent up to now is 105.5 secs Computing kpt #: 194 total cpu time spent up to now is 106.1 secs Computing kpt #: 195 total cpu time spent up to now is 106.6 secs Computing kpt #: 196 total cpu time spent up to now is 107.2 secs Computing kpt #: 197 total cpu time spent up to now is 107.7 secs Computing kpt #: 198 total cpu time spent up to now is 108.3 secs Computing kpt #: 199 total cpu time spent up to now is 108.8 secs Computing kpt #: 200 total cpu time spent up to now is 109.4 secs Computing kpt #: 201 total cpu time spent up to now is 109.9 secs Computing kpt #: 202 total cpu time spent up to now is 110.4 secs Computing kpt #: 203 total cpu time spent up to now is 110.9 secs Computing kpt #: 204 total cpu time spent up to now is 111.5 secs Computing kpt #: 205 total cpu time spent up to now is 112.0 secs Computing kpt #: 206 total cpu time spent up to now is 112.5 secs Computing kpt #: 207 total cpu time spent up to now is 113.0 secs Computing kpt #: 208 total cpu time spent up to now is 113.5 secs Computing kpt #: 209 total cpu time spent up to now is 114.0 secs Computing kpt #: 210 total cpu time spent up to now is 114.5 secs Computing kpt #: 211 total cpu time spent up to now is 115.0 secs Computing kpt #: 212 total cpu time spent up to now is 115.5 secs Computing kpt #: 213 total cpu time spent up to now is 116.0 secs Computing kpt #: 214 total cpu time spent up to now is 116.5 secs Computing kpt #: 215 total cpu time spent up to now is 117.0 secs Computing kpt #: 216 total cpu time spent up to now is 117.5 secs Computing kpt #: 217 total cpu time spent up to now is 118.0 secs Computing kpt #: 218 total cpu time spent up to now is 118.5 secs Computing kpt #: 219 total cpu time spent up to now is 119.0 secs Computing kpt #: 220 total cpu time spent up to now is 119.5 secs Computing kpt #: 221 total cpu time spent up to now is 120.1 secs Computing kpt #: 222 total cpu time spent up to now is 120.6 secs Computing kpt #: 223 total cpu time spent up to now is 121.1 secs Computing kpt #: 224 total cpu time spent up to now is 121.6 secs Computing kpt #: 225 total cpu time spent up to now is 122.2 secs Computing kpt #: 226 total cpu time spent up to now is 122.7 secs Computing kpt #: 227 total cpu time spent up to now is 123.3 secs Computing kpt #: 228 total cpu time spent up to now is 123.9 secs Computing kpt #: 229 total cpu time spent up to now is 124.4 secs Computing kpt #: 230 total cpu time spent up to now is 124.9 secs Computing kpt #: 231 total cpu time spent up to now is 125.5 secs Computing kpt #: 232 total cpu time spent up to now is 126.0 secs Computing kpt #: 233 total cpu time spent up to now is 126.6 secs Computing kpt #: 234 total cpu time spent up to now is 127.1 secs Computing kpt #: 235 total cpu time spent up to now is 127.6 secs Computing kpt #: 236 total cpu time spent up to now is 128.2 secs Computing kpt #: 237 total cpu time spent up to now is 128.7 secs Computing kpt #: 238 total cpu time spent up to now is 129.2 secs Computing kpt #: 239 total cpu time spent up to now is 129.8 secs Computing kpt #: 240 total cpu time spent up to now is 130.3 secs Computing kpt #: 241 total cpu time spent up to now is 130.8 secs Computing kpt #: 242 total cpu time spent up to now is 131.4 secs Computing kpt #: 243 total cpu time spent up to now is 131.9 secs Computing kpt #: 244 total cpu time spent up to now is 132.5 secs Computing kpt #: 245 total cpu time spent up to now is 133.0 secs Computing kpt #: 246 total cpu time spent up to now is 133.6 secs Computing kpt #: 247 total cpu time spent up to now is 134.2 secs Computing kpt #: 248 total cpu time spent up to now is 134.7 secs Computing kpt #: 249 total cpu time spent up to now is 135.3 secs Computing kpt #: 250 total cpu time spent up to now is 135.8 secs Computing kpt #: 251 total cpu time spent up to now is 136.4 secs Computing kpt #: 252 total cpu time spent up to now is 137.0 secs Computing kpt #: 253 total cpu time spent up to now is 137.6 secs Computing kpt #: 254 total cpu time spent up to now is 138.3 secs Computing kpt #: 255 total cpu time spent up to now is 138.9 secs Computing kpt #: 256 total cpu time spent up to now is 139.5 secs Computing kpt #: 257 total cpu time spent up to now is 140.1 secs Computing kpt #: 258 total cpu time spent up to now is 140.7 secs Computing kpt #: 259 total cpu time spent up to now is 141.2 secs Computing kpt #: 260 total cpu time spent up to now is 141.8 secs Computing kpt #: 261 total cpu time spent up to now is 142.3 secs Computing kpt #: 262 total cpu time spent up to now is 142.8 secs Computing kpt #: 263 total cpu time spent up to now is 143.3 secs Computing kpt #: 264 total cpu time spent up to now is 143.9 secs Computing kpt #: 265 total cpu time spent up to now is 144.4 secs Computing kpt #: 266 total cpu time spent up to now is 144.9 secs Computing kpt #: 267 total cpu time spent up to now is 145.4 secs Computing kpt #: 268 total cpu time spent up to now is 145.9 secs Computing kpt #: 269 total cpu time spent up to now is 146.4 secs Computing kpt #: 270 total cpu time spent up to now is 146.9 secs Computing kpt #: 271 total cpu time spent up to now is 147.4 secs Computing kpt #: 272 total cpu time spent up to now is 147.9 secs Computing kpt #: 273 total cpu time spent up to now is 148.4 secs Computing kpt #: 274 total cpu time spent up to now is 148.9 secs Computing kpt #: 275 total cpu time spent up to now is 149.4 secs Computing kpt #: 276 total cpu time spent up to now is 150.0 secs Computing kpt #: 277 total cpu time spent up to now is 150.5 secs Computing kpt #: 278 total cpu time spent up to now is 151.0 secs Computing kpt #: 279 total cpu time spent up to now is 151.5 secs Computing kpt #: 280 total cpu time spent up to now is 152.0 secs Computing kpt #: 281 total cpu time spent up to now is 152.5 secs Computing kpt #: 282 total cpu time spent up to now is 153.2 secs Computing kpt #: 283 total cpu time spent up to now is 153.9 secs Computing kpt #: 284 total cpu time spent up to now is 154.6 secs Computing kpt #: 285 total cpu time spent up to now is 155.1 secs Computing kpt #: 286 total cpu time spent up to now is 155.6 secs Computing kpt #: 287 total cpu time spent up to now is 156.2 secs Computing kpt #: 288 total cpu time spent up to now is 156.7 secs Computing kpt #: 289 total cpu time spent up to now is 157.2 secs Computing kpt #: 290 total cpu time spent up to now is 157.8 secs Computing kpt #: 291 total cpu time spent up to now is 158.3 secs Computing kpt #: 292 total cpu time spent up to now is 158.8 secs Computing kpt #: 293 total cpu time spent up to now is 159.4 secs Computing kpt #: 294 total cpu time spent up to now is 159.9 secs Computing kpt #: 295 total cpu time spent up to now is 160.4 secs Computing kpt #: 296 total cpu time spent up to now is 161.0 secs Computing kpt #: 297 total cpu time spent up to now is 161.5 secs Computing kpt #: 298 total cpu time spent up to now is 162.0 secs Computing kpt #: 299 total cpu time spent up to now is 162.6 secs Computing kpt #: 300 total cpu time spent up to now is 163.1 secs Computing kpt #: 301 total cpu time spent up to now is 163.6 secs Computing kpt #: 302 total cpu time spent up to now is 164.2 secs Computing kpt #: 303 total cpu time spent up to now is 164.7 secs Computing kpt #: 304 total cpu time spent up to now is 165.3 secs Computing kpt #: 305 total cpu time spent up to now is 165.9 secs Computing kpt #: 306 total cpu time spent up to now is 166.7 secs Computing kpt #: 307 total cpu time spent up to now is 167.4 secs Computing kpt #: 308 total cpu time spent up to now is 168.0 secs Computing kpt #: 309 total cpu time spent up to now is 168.6 secs Computing kpt #: 310 total cpu time spent up to now is 169.1 secs Computing kpt #: 311 total cpu time spent up to now is 169.6 secs Computing kpt #: 312 total cpu time spent up to now is 170.2 secs Computing kpt #: 313 total cpu time spent up to now is 170.7 secs Computing kpt #: 314 total cpu time spent up to now is 171.2 secs Computing kpt #: 315 total cpu time spent up to now is 171.7 secs Computing kpt #: 316 total cpu time spent up to now is 172.3 secs Computing kpt #: 317 total cpu time spent up to now is 172.7 secs Computing kpt #: 318 total cpu time spent up to now is 173.2 secs Computing kpt #: 319 total cpu time spent up to now is 173.6 secs Computing kpt #: 320 total cpu time spent up to now is 174.1 secs Computing kpt #: 321 total cpu time spent up to now is 174.6 secs Computing kpt #: 322 total cpu time spent up to now is 175.1 secs Computing kpt #: 323 total cpu time spent up to now is 175.6 secs Computing kpt #: 324 total cpu time spent up to now is 176.1 secs Computing kpt #: 325 total cpu time spent up to now is 176.6 secs Computing kpt #: 326 total cpu time spent up to now is 177.1 secs Computing kpt #: 327 total cpu time spent up to now is 177.7 secs Computing kpt #: 328 total cpu time spent up to now is 178.2 secs Computing kpt #: 329 total cpu time spent up to now is 178.8 secs Computing kpt #: 330 total cpu time spent up to now is 179.3 secs Computing kpt #: 331 total cpu time spent up to now is 180.0 secs Computing kpt #: 332 total cpu time spent up to now is 180.6 secs ethr = 2.50E-08, avg # of iterations = 17.0 total cpu time spent up to now is 180.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3557 PWs) bands (ev): -24.7817 -24.7817 -7.6361 -7.6361 -6.5331 -6.5331 -6.4736 -6.4736 0.0121 0.0121 2.5540 2.5540 3.7826 3.7826 4.1621 4.1621 4.2198 4.2198 4.4252 4.4252 5.1768 5.1768 5.3694 5.3694 5.5101 5.5101 5.8081 5.8081 6.1274 6.1274 6.4369 6.4369 6.4656 6.4656 9.0344 9.0344 9.1702 9.1702 10.5184 10.5184 10.5280 10.5280 10.7197 10.7197 12.9572 12.9572 13.3982 13.3982 k = 0.0000 0.0000 0.0193 ( 3563 PWs) bands (ev): -24.7817 -24.7817 -7.6361 -7.6361 -6.5332 -6.5332 -6.4738 -6.4738 0.0134 0.0134 2.5544 2.5544 3.7836 3.7836 4.1619 4.1619 4.2205 4.2205 4.4254 4.4254 5.1759 5.1759 5.3681 5.3681 5.5098 5.5098 5.8070 5.8070 6.1286 6.1286 6.4355 6.4355 6.4659 6.4659 9.0327 9.0327 9.1680 9.1680 10.4827 10.4827 10.5148 10.5148 10.7640 10.7640 12.9653 12.9653 13.4047 13.4047 k = 0.0000 0.0000 0.0385 ( 3571 PWs) bands (ev): -24.7817 -24.7817 -7.6363 -7.6363 -6.5333 -6.5333 -6.4742 -6.4742 0.0174 0.0174 2.5556 2.5556 3.7867 3.7867 4.1616 4.1616 4.2226 4.2226 4.4258 4.4258 5.1731 5.1731 5.3646 5.3646 5.5088 5.5088 5.8039 5.8039 6.1320 6.1320 6.4314 6.4314 6.4666 6.4666 9.0272 9.0272 9.1619 9.1619 10.4028 10.4028 10.4933 10.4933 10.8517 10.8517 12.9895 12.9895 13.4235 13.4235 k = 0.0000 0.0000 0.0578 ( 3577 PWs) bands (ev): -24.7816 -24.7816 -7.6366 -7.6366 -6.5334 -6.5334 -6.4749 -6.4749 0.0240 0.0240 2.5575 2.5575 3.7919 3.7919 4.1610 4.1610 4.2259 4.2259 4.4265 4.4265 5.1684 5.1684 5.3591 5.3591 5.5072 5.5072 5.7988 5.7988 6.1369 6.1369 6.4257 6.4257 6.4674 6.4674 9.0172 9.0172 9.1529 9.1529 10.3149 10.3149 10.4591 10.4591 10.9521 10.9521 13.0293 13.0293 13.4526 13.4526 k = 0.0000 0.0000 0.0771 ( 3573 PWs) bands (ev): -24.7816 -24.7816 -7.6370 -7.6370 -6.5337 -6.5337 -6.4758 -6.4758 0.0332 0.0332 2.5603 2.5603 3.7992 3.7992 4.1603 4.1603 4.2306 4.2306 4.4276 4.4276 5.1615 5.1615 5.3522 5.3522 5.5050 5.5050 5.7921 5.7921 6.1418 6.1418 6.4191 6.4191 6.4679 6.4679 9.0018 9.0018 9.1427 9.1427 10.2261 10.2261 10.4135 10.4135 11.0584 11.0584 13.0841 13.0841 13.4891 13.4891 k = 0.0000 0.0000 0.0963 ( 3569 PWs) bands (ev): -24.7815 -24.7815 -7.6375 -7.6375 -6.5340 -6.5340 -6.4770 -6.4770 0.0449 0.0449 2.5639 2.5639 3.8084 3.8084 4.1595 4.1595 4.2365 4.2365 4.4293 4.4293 5.1522 5.1522 5.3445 5.3445 5.5022 5.5022 5.7839 5.7839 6.1451 6.1451 6.4128 6.4128 6.4682 6.4682 8.9801 8.9801 9.1327 9.1327 10.1382 10.1382 10.3584 10.3584 11.1686 11.1686 13.1532 13.1532 13.5297 13.5297 k = 0.0000 0.0000 0.1156 ( 3561 PWs) bands (ev): -24.7814 -24.7814 -7.6381 -7.6381 -6.5344 -6.5344 -6.4785 -6.4785 0.0591 0.0591 2.5682 2.5682 3.8194 3.8194 4.1584 4.1584 4.2437 4.2437 4.4316 4.4316 5.1405 5.1405 5.3368 5.3368 5.4988 5.4988 5.7745 5.7745 6.1450 6.1450 6.4077 6.4077 6.4686 6.4686 8.9519 8.9519 9.1241 9.1241 10.0519 10.0519 10.2956 10.2956 11.2821 11.2821 13.2355 13.2355 13.5711 13.5711 k = 0.0000 0.0000 0.1349 ( 3559 PWs) bands (ev): -24.7813 -24.7813 -7.6389 -7.6389 -6.5348 -6.5348 -6.4802 -6.4802 0.0757 0.0757 2.5732 2.5732 3.8320 3.8320 4.1571 4.1571 4.2521 4.2521 4.4346 4.4346 5.1261 5.1261 5.3294 5.3294 5.4948 5.4948 5.7640 5.7640 6.1395 6.1395 6.4047 6.4047 6.4695 6.4695 8.9181 8.9181 9.1169 9.1169 9.9674 9.9674 10.2271 10.2271 11.3987 11.3987 13.3299 13.3299 13.6107 13.6107 k = 0.0000 0.0000 0.1541 ( 3563 PWs) bands (ev): -24.7812 -24.7812 -7.6397 -7.6397 -6.5353 -6.5353 -6.4822 -6.4822 0.0947 0.0947 2.5788 2.5788 3.8461 3.8461 4.1557 4.1557 4.2617 4.2617 4.4385 4.4385 5.1094 5.1094 5.3228 5.3228 5.4901 5.4901 5.7524 5.7524 6.1274 6.1274 6.4036 6.4036 6.4718 6.4718 8.8796 8.8796 9.1109 9.1109 9.8849 9.8849 10.1545 10.1545 11.5181 11.5181 13.4356 13.4356 13.6471 13.6471 k = 0.0000 0.0000 0.1734 ( 3567 PWs) bands (ev): -24.7810 -24.7810 -7.6406 -7.6406 -6.5358 -6.5358 -6.4843 -6.4843 0.1159 0.1159 2.5852 2.5852 3.8613 3.8613 4.1540 4.1540 4.2725 4.2725 4.4435 4.4435 5.0906 5.0906 5.3172 5.3172 5.4849 5.4849 5.7398 5.7398 6.1084 6.1084 6.4033 6.4033 6.4763 6.4763 8.8377 8.8377 9.1058 9.1058 9.8043 9.8043 10.0796 10.0796 11.6402 11.6402 13.5513 13.5513 13.6798 13.6798 k = 0.0000 0.0000 0.1927 ( 3563 PWs) bands (ev): -24.7809 -24.7809 -7.6416 -7.6416 -6.5364 -6.5364 -6.4866 -6.4866 0.1392 0.1392 2.5922 2.5922 3.8775 3.8775 4.1523 4.1523 4.2846 4.2846 4.4496 4.4496 5.0701 5.0701 5.3125 5.3125 5.4791 5.4791 5.7263 5.7263 6.0830 6.0830 6.4024 6.4024 6.4842 6.4842 8.7934 8.7934 9.1012 9.1012 9.7258 9.7258 10.0038 10.0038 11.7651 11.7651 13.6762 13.6762 13.7088 13.7088 k = 0.0000 0.0000 0.2119 ( 3571 PWs) bands (ev): -24.7807 -24.7807 -7.6427 -7.6427 -6.5371 -6.5371 -6.4892 -6.4892 0.1646 0.1646 2.5998 2.5998 3.8940 3.8940 4.1507 4.1507 4.2981 4.2981 4.4569 4.4569 5.0485 5.0485 5.3087 5.3087 5.4728 5.4728 5.7119 5.7119 6.0517 6.0517 6.3994 6.3994 6.4955 6.4955 8.7479 8.7479 9.0968 9.0968 9.6493 9.6493 9.9280 9.9280 11.8926 11.8926 13.7347 13.7347 13.8092 13.8092 k = 0.0000 0.0000 0.2312 ( 3569 PWs) bands (ev): -24.7806 -24.7806 -7.6439 -7.6439 -6.5378 -6.5378 -6.4918 -6.4918 0.1918 0.1918 2.6081 2.6081 3.9105 3.9105 4.1496 4.1496 4.3129 4.3129 4.4655 4.4655 5.0262 5.0262 5.3056 5.3056 5.4659 5.4659 5.6965 5.6965 6.0159 6.0159 6.3942 6.3942 6.5097 6.5097 8.7018 8.7018 9.0924 9.0924 9.5747 9.5747 9.8535 9.8535 12.0227 12.0227 13.7580 13.7580 13.9491 13.9491 k = 0.0000 0.0000 0.2505 ( 3573 PWs) bands (ev): -24.7804 -24.7804 -7.6451 -7.6451 -6.5385 -6.5385 -6.4947 -6.4947 0.2207 0.2207 2.6168 2.6168 3.9262 3.9262 4.1494 4.1494 4.3291 4.3291 4.4754 4.4754 5.0038 5.0038 5.3029 5.3029 5.4585 5.4585 5.6801 5.6801 5.9763 5.9763 6.3867 6.3867 6.5257 6.5257 8.6557 8.6557 9.0878 9.0878 9.5020 9.5020 9.7810 9.7810 12.1553 12.1553 13.7791 13.7791 13.9632 13.9632 k = 0.0000 0.0000 0.2698 ( 3569 PWs) bands (ev): -24.7802 -24.7802 -7.6465 -7.6465 -6.5393 -6.5393 -6.4976 -6.4976 0.2512 0.2512 2.6259 2.6259 3.9405 3.9405 4.1506 4.1506 4.3469 4.3469 4.4865 4.4865 4.9818 4.9818 5.3006 5.3006 5.4504 5.4504 5.6627 5.6627 5.9339 5.9339 6.3772 6.3772 6.5425 6.5425 8.6103 8.6103 9.0830 9.0830 9.4313 9.4313 9.7112 9.7112 12.2904 12.2904 13.7984 13.7984 13.9566 13.9566 k = 0.0000 0.0000 0.2890 ( 3577 PWs) bands (ev): -24.7800 -24.7800 -7.6478 -7.6478 -6.5401 -6.5401 -6.5007 -6.5007 0.2831 0.2831 2.6355 2.6355 3.9526 3.9526 4.1539 4.1539 4.3661 4.3661 4.4988 4.4988 4.9606 4.9606 5.2983 5.2983 5.4418 5.4418 5.6439 5.6439 5.8898 5.8898 6.3659 6.3659 6.5594 6.5594 8.5658 8.5658 9.0777 9.0777 9.3624 9.3624 9.6447 9.6447 12.4279 12.4279 13.8161 13.8161 13.9539 13.9539 k = 0.0000 0.0000 0.3083 ( 3585 PWs) bands (ev): -24.7798 -24.7798 -7.6493 -7.6493 -6.5410 -6.5410 -6.5038 -6.5038 0.3163 0.3163 2.6454 2.6454 3.9618 3.9618 4.1599 4.1599 4.3868 4.3868 4.5121 4.5121 4.9408 4.9408 5.2957 5.2957 5.4325 5.4325 5.6236 5.6236 5.8451 5.8451 6.3529 6.3529 6.5757 6.5757 8.5226 8.5226 9.0719 9.0719 9.2955 9.2955 9.5817 9.5817 12.5678 12.5678 13.8325 13.8325 13.9553 13.9553 k = 0.0000 0.0000 0.3276 ( 3585 PWs) bands (ev): -24.7795 -24.7795 -7.6507 -7.6507 -6.5419 -6.5419 -6.5070 -6.5070 0.3504 0.3504 2.6557 2.6557 3.9678 3.9678 4.1687 4.1687 4.4087 4.4087 4.5266 4.5266 4.9228 4.9228 5.2927 5.2927 5.4224 5.4224 5.6016 5.6016 5.8012 5.8012 6.3385 6.3385 6.5910 6.5910 8.4809 8.4809 9.0656 9.0656 9.2304 9.2304 9.5227 9.5227 12.7100 12.7100 13.8476 13.8476 13.9612 13.9612 k = 0.0000 0.0000 0.3468 ( 3589 PWs) bands (ev): -24.7793 -24.7793 -7.6523 -7.6523 -6.5428 -6.5428 -6.5102 -6.5102 0.3854 0.3854 2.6662 2.6662 3.9706 3.9706 4.1804 4.1804 4.4315 4.4315 4.5421 4.5421 4.9072 4.9072 5.2886 5.2886 5.4113 5.4113 5.5774 5.5774 5.7594 5.7594 6.3228 6.3228 6.6048 6.6048 8.4409 8.4409 9.0583 9.0583 9.1677 9.1677 9.4677 9.4677 12.8545 12.8545 13.8614 13.8614 13.9716 13.9716 k = 0.0000 0.0000 0.3661 ( 3597 PWs) bands (ev): -24.7791 -24.7791 -7.6538 -7.6538 -6.5438 -6.5438 -6.5134 -6.5134 0.4209 0.4209 2.6769 2.6769 3.9705 3.9705 4.1946 4.1946 4.4547 4.4547 4.5588 4.5588 4.8944 4.8944 5.2828 5.2828 5.3991 5.3991 5.5512 5.5512 5.7213 5.7213 6.3058 6.3058 6.6168 6.6168 8.4025 8.4025 9.0485 9.0485 9.1087 9.1087 9.4169 9.4169 13.0010 13.0010 13.8739 13.8739 13.9864 13.9864 k = 0.0000 0.0000 0.3854 ( 3595 PWs) bands (ev): -24.7788 -24.7788 -7.6554 -7.6554 -6.5448 -6.5448 -6.5167 -6.5167 0.4569 0.4569 2.6876 2.6876 3.9684 3.9684 4.2106 4.2106 4.4773 4.4773 4.5768 4.5768 4.8851 4.8851 5.2743 5.2743 5.3857 5.3857 5.5237 5.5237 5.6877 5.6877 6.2878 6.2878 6.6267 6.6267 8.3660 8.3660 9.0256 9.0256 9.0643 9.0643 9.3701 9.3701 13.1495 13.1495 13.8849 13.8849 14.0056 14.0056 k = 0.0000 0.0000 0.4046 ( 3595 PWs) bands (ev): -24.7786 -24.7786 -7.6569 -7.6569 -6.5458 -6.5458 -6.5199 -6.5199 0.4930 0.4930 2.6984 2.6984 3.9648 3.9648 4.2279 4.2279 4.4982 4.4982 4.5967 4.5967 4.8798 4.8798 5.2614 5.2614 5.3712 5.3712 5.4967 5.4967 5.6591 5.6591 6.2690 6.2690 6.6345 6.6345 8.3313 8.3313 8.9764 8.9764 9.0474 9.0474 9.3273 9.3273 13.2999 13.2999 13.8940 13.8940 14.0287 14.0287 k = 0.0000 0.0000 0.4239 ( 3585 PWs) bands (ev): -24.7783 -24.7783 -7.6585 -7.6585 -6.5468 -6.5468 -6.5231 -6.5231 0.5291 0.5291 2.7092 2.7092 3.9604 3.9604 4.2460 4.2460 4.5163 4.5163 4.6188 4.6188 4.8789 4.8789 5.2419 5.2419 5.3567 5.3567 5.4724 5.4724 5.6350 5.6350 6.2495 6.2495 6.6398 6.6398 8.2984 8.2984 8.9210 8.9210 9.0383 9.0383 9.2882 9.2882 13.4519 13.4519 13.9001 13.9001 14.0550 14.0550 k = 0.0000 0.0000 0.4432 ( 3585 PWs) bands (ev): -24.7781 -24.7781 -7.6601 -7.6601 -6.5479 -6.5479 -6.5261 -6.5261 0.5648 0.5648 2.7199 2.7199 3.9556 3.9556 4.2647 4.2647 4.5306 4.5306 4.6428 4.6428 4.8828 4.8828 5.2147 5.2147 5.3436 5.3436 5.4520 5.4520 5.6148 5.6148 6.2297 6.2297 6.6424 6.6424 8.2673 8.2673 8.8656 8.8656 9.0307 9.0307 9.2524 9.2524 13.6054 13.6054 13.9018 13.9018 14.0829 14.0829 k = 0.0000 0.0000 0.4624 ( 3579 PWs) bands (ev): -24.7778 -24.7778 -7.6617 -7.6617 -6.5491 -6.5491 -6.5291 -6.5291 0.6000 0.6000 2.7305 2.7305 3.9511 3.9511 4.2837 4.2837 4.5410 4.5410 4.6683 4.6683 4.8916 4.8916 5.1803 5.1803 5.3326 5.3326 5.4358 5.4358 5.5978 5.5978 6.2099 6.2099 6.6424 6.6424 8.2379 8.2379 8.8111 8.8111 9.0238 9.0238 9.2196 9.2196 13.7597 13.7597 13.8958 13.8958 14.1097 14.1097 k = 0.0000 0.0000 0.4817 ( 3577 PWs) bands (ev): -24.7775 -24.7775 -7.6632 -7.6632 -6.5502 -6.5502 -6.5320 -6.5320 0.6345 0.6345 2.7407 2.7407 3.9470 3.9470 4.3029 4.3029 4.5479 4.5479 4.6941 4.6941 4.9052 4.9052 5.1411 5.1411 5.3235 5.3235 5.4230 5.4230 5.5836 5.5836 6.1903 6.1903 6.6396 6.6396 8.2101 8.2101 8.7578 8.7578 9.0174 9.0174 9.1892 9.1892 13.8700 13.8700 13.9183 13.9183 14.1301 14.1301 k = 0.0000 0.0000 0.5010 ( 3577 PWs) bands (ev): -24.7773 -24.7773 -7.6648 -7.6648 -6.5515 -6.5515 -6.5347 -6.5347 0.6679 0.6679 2.7507 2.7507 3.9437 3.9437 4.3221 4.3221 4.5518 4.5518 4.7187 4.7187 4.9227 4.9227 5.1002 5.1002 5.3159 5.3159 5.4129 5.4129 5.5718 5.5718 6.1715 6.1715 6.6339 6.6339 8.1839 8.1839 8.7058 8.7058 9.0115 9.0115 9.1607 9.1607 13.8194 13.8194 14.0653 14.0653 14.1095 14.1095 k = 0.0000 0.0000 0.5202 ( 3581 PWs) bands (ev): -24.7770 -24.7770 -7.6663 -7.6663 -6.5529 -6.5529 -6.5372 -6.5372 0.7002 0.7002 2.7603 2.7603 3.9415 3.9415 4.3413 4.3413 4.5530 4.5530 4.7409 4.7409 4.9428 4.9428 5.0610 5.0610 5.3091 5.3091 5.4051 5.4051 5.5623 5.5623 6.1539 6.1539 6.6254 6.6254 8.1593 8.1593 8.6550 8.6550 9.0062 9.0062 9.1335 9.1335 13.7313 13.7313 14.0539 14.0539 14.1135 14.1135 k = 0.0000 0.0000 0.5395 ( 3581 PWs) bands (ev): -24.7767 -24.7767 -7.6678 -7.6678 -6.5544 -6.5544 -6.5395 -6.5395 0.7312 0.7312 2.7696 2.7696 3.9405 3.9405 4.3606 4.3606 4.5518 4.5518 4.7590 4.7590 4.9616 4.9616 5.0291 5.0291 5.3032 5.3032 5.3991 5.3991 5.5550 5.5550 6.1380 6.1380 6.6140 6.6140 8.1361 8.1361 8.6054 8.6054 9.0013 9.0013 9.1071 9.1071 13.6226 13.6226 14.0324 14.0324 14.0629 14.0629 k = 0.0000 0.0000 0.5588 ( 3573 PWs) bands (ev): -24.7765 -24.7765 -7.6693 -7.6693 -6.5559 -6.5559 -6.5415 -6.5415 0.7605 0.7605 2.7784 2.7784 3.9409 3.9409 4.3798 4.3798 4.5481 4.5481 4.7712 4.7712 4.9666 4.9666 5.0190 5.0190 5.2981 5.2981 5.3949 5.3949 5.5497 5.5497 6.1246 6.1246 6.5998 6.5998 8.1143 8.1143 8.5572 8.5572 8.9961 8.9961 9.0814 9.0814 13.5088 13.5088 13.9871 13.9871 14.0216 14.0216 k = 0.0000 0.0000 0.5780 ( 3579 PWs) bands (ev): -24.7762 -24.7762 -7.6707 -7.6707 -6.5576 -6.5576 -6.5433 -6.5433 0.7882 0.7882 2.7866 2.7866 3.9428 3.9428 4.3989 4.3989 4.5413 4.5413 4.7761 4.7761 4.9560 4.9560 5.0339 5.0339 5.2941 5.2941 5.3923 5.3923 5.5464 5.5464 6.1143 6.1143 6.5827 6.5827 8.0939 8.0939 8.5102 8.5102 8.9892 8.9892 9.0571 9.0571 13.3981 13.3981 13.8965 13.8965 14.0150 14.0150 k = 0.0000 0.0000 0.5973 ( 3575 PWs) bands (ev): -24.7760 -24.7760 -7.6720 -7.6720 -6.5594 -6.5594 -6.5449 -6.5449 0.8141 0.8141 2.7944 2.7944 3.9461 3.9461 4.4178 4.4178 4.5309 4.5309 4.7738 4.7738 4.9489 4.9489 5.0544 5.0544 5.2914 5.2914 5.3915 5.3915 5.5449 5.5449 6.1079 6.1079 6.5631 6.5631 8.0747 8.0747 8.4645 8.4645 8.9766 8.9766 9.0376 9.0376 13.2942 13.2942 13.7986 13.7986 14.0100 14.0100 k = 0.0000 0.0000 0.6166 ( 3571 PWs) bands (ev): -24.7757 -24.7757 -7.6734 -7.6734 -6.5613 -6.5613 -6.5462 -6.5462 0.8381 0.8381 2.8016 2.8016 3.9510 3.9510 4.4361 4.4361 4.5164 4.5164 4.7675 4.7675 4.9492 4.9492 5.0733 5.0733 5.2902 5.2902 5.3925 5.3925 5.5452 5.5452 6.1065 6.1065 6.5410 6.5410 8.0567 8.0567 8.4202 8.4202 8.9535 8.9535 9.0267 9.0267 13.1995 13.1995 13.6979 13.6979 14.0053 14.0053 k = 0.0000 0.0000 0.6358 ( 3582 PWs) bands (ev): -24.7755 -24.7755 -7.6746 -7.6746 -6.5632 -6.5632 -6.5474 -6.5474 0.8602 0.8602 2.8082 2.8082 3.9573 3.9573 4.4520 4.4520 4.4991 4.4991 4.7614 4.7614 4.9545 4.9545 5.0885 5.0885 5.2905 5.2905 5.3953 5.3953 5.5468 5.5468 6.1109 6.1109 6.5166 6.5166 8.0399 8.0399 8.3772 8.3772 8.9201 8.9201 9.0234 9.0234 13.1153 13.1153 13.5972 13.5972 14.0004 14.0004 k = 0.0000 0.0000 0.6551 ( 3586 PWs) bands (ev): -24.7753 -24.7753 -7.6758 -7.6758 -6.5650 -6.5650 -6.5484 -6.5484 0.8803 0.8803 2.8143 2.8143 3.9650 3.9650 4.4539 4.4539 4.4914 4.4914 4.7587 4.7587 4.9621 4.9621 5.0991 5.0991 5.2919 5.2919 5.4001 5.4001 5.5496 5.5496 6.1221 6.1221 6.4903 6.4903 8.0243 8.0243 8.3356 8.3356 8.8789 8.8789 9.0245 9.0245 13.0429 13.0429 13.4979 13.4979 13.9948 13.9948 k = 0.0000 0.0000 0.6744 ( 3578 PWs) bands (ev): -24.7751 -24.7751 -7.6770 -7.6770 -6.5669 -6.5669 -6.5493 -6.5493 0.8984 0.8984 2.8198 2.8198 3.9739 3.9739 4.4321 4.4321 4.5039 4.5039 4.7604 4.7604 4.9702 4.9702 5.1054 5.1054 5.2936 5.2936 5.4068 5.4068 5.5529 5.5529 6.1407 6.1407 6.4624 6.4624 8.0097 8.0097 8.2955 8.2955 8.8312 8.8312 9.0282 9.0282 12.9827 12.9827 13.4011 13.4011 13.9883 13.9883 k = 0.0000 0.0000 0.6936 ( 3578 PWs) bands (ev): -24.7749 -24.7749 -7.6781 -7.6781 -6.5687 -6.5687 -6.5500 -6.5500 0.9145 0.9145 2.8248 2.8248 3.9838 3.9838 4.4025 4.4025 4.5220 4.5220 4.7662 4.7662 4.9778 4.9778 5.1080 5.1080 5.2949 5.2949 5.4154 5.4154 5.5563 5.5563 6.1670 6.1670 6.4334 6.4334 7.9961 7.9961 8.2569 8.2569 8.7771 8.7771 9.0338 9.0338 12.9353 12.9353 13.3075 13.3075 13.9808 13.9808 k = 0.0000 0.0000 0.7129 ( 3578 PWs) bands (ev): -24.7746 -24.7746 -7.6791 -7.6791 -6.5704 -6.5704 -6.5507 -6.5507 0.9288 0.9288 2.8292 2.8292 3.9945 3.9945 4.3708 4.3708 4.5413 4.5413 4.7757 4.7757 4.9842 4.9842 5.1076 5.1076 5.2951 5.2951 5.4255 5.4255 5.5593 5.5593 6.2005 6.2005 6.4045 6.4045 7.9835 7.9835 8.2200 8.2200 8.7167 8.7167 9.0408 9.0408 12.9008 12.9008 13.2177 13.2177 13.9720 13.9720 k = 0.0000 0.0000 0.7322 ( 3582 PWs) bands (ev): -24.7745 -24.7745 -7.6801 -7.6801 -6.5721 -6.5721 -6.5512 -6.5512 0.9413 0.9413 2.8331 2.8331 4.0058 4.0058 4.3385 4.3385 4.5610 4.5610 4.7881 4.7881 4.9892 4.9892 5.1052 5.1052 5.2937 5.2937 5.4370 5.4370 5.5617 5.5617 6.2385 6.2385 6.3783 6.3783 7.9719 7.9719 8.1847 8.1847 8.6502 8.6502 9.0488 9.0488 12.8791 12.8791 13.1321 13.1321 13.9619 13.9619 k = 0.0000 0.0000 0.7514 ( 3586 PWs) bands (ev): -24.7743 -24.7743 -7.6810 -7.6810 -6.5736 -6.5736 -6.5517 -6.5517 0.9521 0.9521 2.8366 2.8366 4.0175 4.0175 4.3069 4.3069 4.5810 4.5810 4.8031 4.8031 4.9928 4.9928 5.1014 5.1014 5.2907 5.2907 5.4497 5.4497 5.5633 5.5633 6.2700 6.2700 6.3659 6.3659 7.9612 7.9612 8.1511 8.1511 8.5778 8.5778 9.0577 9.0577 12.8698 12.8698 13.0513 13.0513 13.9501 13.9501 k = 0.0000 0.0000 0.7707 ( 3594 PWs) bands (ev): -24.7741 -24.7741 -7.6818 -7.6818 -6.5751 -6.5751 -6.5522 -6.5522 0.9613 0.9613 2.8395 2.8395 4.0292 4.0292 4.2765 4.2765 4.6010 4.6010 4.8199 4.8199 4.9950 4.9950 5.0965 5.0965 5.2860 5.2860 5.4632 5.4632 5.5640 5.5640 6.2700 6.2700 6.3919 6.3919 7.9515 7.9515 8.1193 8.1193 8.4999 8.4999 9.0672 9.0672 12.8722 12.8722 12.9757 12.9757 13.9366 13.9366 k = 0.0000 0.0000 0.7900 ( 3598 PWs) bands (ev): -24.7740 -24.7740 -7.6825 -7.6825 -6.5764 -6.5764 -6.5525 -6.5525 0.9692 0.9692 2.8421 2.8421 4.0407 4.0407 4.2479 4.2479 4.6211 4.6211 4.8382 4.8382 4.9958 4.9958 5.0910 5.0910 5.2801 5.2801 5.4773 5.4773 5.5642 5.5642 6.2468 6.2468 6.4478 6.4478 7.9426 7.9426 8.0894 8.0894 8.4171 8.4171 9.0769 9.0769 12.8826 12.8826 12.9085 12.9085 13.9210 13.9210 k = 0.0000 0.0000 0.8093 ( 3596 PWs) bands (ev): -24.7738 -24.7738 -7.6832 -7.6832 -6.5776 -6.5776 -6.5529 -6.5529 0.9757 0.9757 2.8443 2.8443 4.0519 4.0519 4.2213 4.2213 4.6410 4.6410 4.8573 4.8573 4.9956 4.9956 5.0850 5.0850 5.2732 5.2732 5.4916 5.4916 5.5639 5.5639 6.2178 6.2178 6.5159 6.5159 7.9346 7.9346 8.0612 8.0612 8.3303 8.3303 9.0868 9.0868 12.8376 12.8376 12.9124 12.9124 13.9030 13.9030 k = 0.0000 0.0000 0.8285 ( 3602 PWs) bands (ev): -24.7737 -24.7737 -7.6838 -7.6838 -6.5787 -6.5787 -6.5531 -6.5531 0.9811 0.9811 2.8461 2.8461 4.0624 4.0624 4.1970 4.1970 4.6605 4.6605 4.8768 4.8768 4.9943 4.9943 5.0788 5.0788 5.2657 5.2657 5.5056 5.5056 5.5633 5.5633 6.1878 6.1878 6.5911 6.5911 7.9274 7.9274 8.0343 8.0343 8.2407 8.2407 9.0965 9.0965 12.7791 12.7791 12.9446 12.9446 13.8824 13.8824 k = 0.0000 0.0000 0.8478 ( 3602 PWs) bands (ev): -24.7736 -24.7736 -7.6844 -7.6844 -6.5797 -6.5797 -6.5534 -6.5534 0.9854 0.9854 2.8476 2.8476 4.0722 4.0722 4.1752 4.1752 4.6794 4.6794 4.8962 4.8962 4.9923 4.9923 5.0724 5.0724 5.2578 5.2578 5.5190 5.5190 5.5626 5.5626 6.1586 6.1586 6.6713 6.6713 7.9209 7.9209 8.0073 8.0073 8.1508 8.1508 9.1058 9.1058 12.7264 12.7264 12.9849 12.9849 13.8589 13.8589 k = 0.0000 0.0000 0.8671 ( 3600 PWs) bands (ev): -24.7735 -24.7735 -7.6849 -7.6849 -6.5806 -6.5806 -6.5536 -6.5536 0.9889 0.9889 2.8489 2.8489 4.0810 4.0810 4.1561 4.1561 4.6975 4.6975 4.9150 4.9150 4.9897 4.9897 5.0659 5.0659 5.2502 5.2502 5.5315 5.5315 5.5618 5.5618 6.1312 6.1312 6.7554 6.7554 7.9147 7.9147 7.9742 7.9742 8.0682 8.0682 9.1144 9.1144 12.6799 12.6799 13.0311 13.0311 13.8325 13.8325 k = 0.0000 0.0000 0.8863 ( 3600 PWs) bands (ev): -24.7734 -24.7734 -7.6853 -7.6853 -6.5813 -6.5813 -6.5537 -6.5537 0.9917 0.9917 2.8499 2.8499 4.0886 4.0886 4.1398 4.1398 4.7142 4.7142 4.9325 4.9325 4.9871 4.9871 5.0592 5.0592 5.2431 5.2431 5.5426 5.5426 5.5613 5.5613 6.1064 6.1064 6.8421 6.8421 7.9008 7.9008 7.9242 7.9242 8.0128 8.0128 9.1222 9.1222 12.6401 12.6401 13.0811 13.0811 13.8032 13.8032 k = 0.0000 0.0000 0.9056 ( 3600 PWs) bands (ev): -24.7733 -24.7733 -7.6856 -7.6856 -6.5819 -6.5819 -6.5539 -6.5539 0.9938 0.9938 2.8506 2.8506 4.0950 4.0950 4.1263 4.1263 4.7292 4.7292 4.9475 4.9475 4.9853 4.9853 5.0524 5.0524 5.2368 5.2368 5.5510 5.5510 5.5619 5.5619 6.0849 6.0849 6.9300 6.9300 7.8266 7.8266 7.9103 7.9103 7.9859 7.9859 9.1288 9.1288 12.6072 12.6072 13.1324 13.1324 13.7719 13.7719 k = 0.0000 0.0000 0.9249 ( 3600 PWs) bands (ev): -24.7733 -24.7733 -7.6858 -7.6858 -6.5823 -6.5823 -6.5539 -6.5539 0.9953 0.9953 2.8512 2.8512 4.1001 4.1001 4.1158 4.1158 4.7419 4.7419 4.9581 4.9581 4.9863 4.9863 5.0456 5.0456 5.2316 5.2316 5.5549 5.5549 5.5654 5.5654 6.0673 6.0673 7.0167 7.0167 7.7377 7.7377 7.9066 7.9066 7.9704 7.9704 9.1342 9.1342 12.5815 12.5815 13.1817 13.1817 13.7401 13.7401 k = 0.0000 0.0000 0.9441 ( 3604 PWs) bands (ev): -24.7732 -24.7732 -7.6860 -7.6860 -6.5826 -6.5826 -6.5540 -6.5540 0.9963 0.9963 2.8516 2.8516 4.1037 4.1037 4.1082 4.1082 4.7516 4.7516 4.9626 4.9626 4.9917 4.9917 5.0389 5.0389 5.2278 5.2278 5.5556 5.5556 5.5701 5.5701 6.0543 6.0543 7.0978 7.0978 7.6534 7.6534 7.9043 7.9043 7.9606 7.9606 9.1381 9.1381 12.5629 12.5629 13.2243 13.2243 13.7111 13.7111 k = 0.0000 0.0000 0.9634 ( 3604 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5828 -6.5828 -6.5541 -6.5541 0.9969 0.9969 2.8519 2.8519 4.1036 4.1036 4.1060 4.1060 4.7577 4.7577 4.9633 4.9633 4.9986 4.9986 5.0330 5.0330 5.2254 5.2254 5.5556 5.5556 5.5734 5.5734 6.0462 6.0462 7.1626 7.1626 7.5862 7.5862 7.9029 7.9029 7.9549 7.9549 9.1406 9.1406 12.5517 12.5517 13.2543 13.2543 13.6897 13.6897 k = 0.0000 0.0000 0.9827 ( 3600 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5829 -6.5829 -6.5541 -6.5541 0.9971 0.9971 2.8519 2.8519 4.1022 4.1022 4.1067 4.1067 4.7599 4.7599 4.9632 4.9632 5.0019 5.0019 5.0303 5.0303 5.2246 5.2246 5.5556 5.5556 5.5746 5.5746 6.0435 6.0435 7.1896 7.1896 7.5584 7.5584 7.9025 7.9025 7.9531 7.9531 9.1414 9.1414 12.5480 12.5480 13.2653 13.2653 13.6817 13.6817 k = 0.0000 0.0000 0.9827 ( 3600 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5829 -6.5829 -6.5541 -6.5541 0.9971 0.9971 2.8519 2.8519 4.1022 4.1022 4.1067 4.1067 4.7599 4.7599 4.9632 4.9632 5.0019 5.0019 5.0303 5.0303 5.2246 5.2246 5.5556 5.5556 5.5746 5.5746 6.0435 6.0435 7.1896 7.1896 7.5584 7.5584 7.9025 7.9025 7.9531 7.9531 9.1414 9.1414 12.5480 12.5480 13.2653 13.2653 13.6817 13.6817 k =-0.0097 0.0164 0.9827 ( 3598 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5828 -6.5828 -6.5541 -6.5541 0.9974 0.9974 2.8505 2.8505 4.1024 4.1024 4.1082 4.1082 4.7598 4.7598 4.9631 4.9631 5.0008 5.0008 5.0308 5.0308 5.2248 5.2248 5.5544 5.5544 5.5746 5.5746 6.0389 6.0389 7.1882 7.1882 7.5585 7.5585 7.9098 7.9098 7.9548 7.9548 9.1440 9.1440 12.5478 12.5478 13.2653 13.2653 13.6846 13.6846 k =-0.0194 0.0328 0.9827 ( 3594 PWs) bands (ev): -24.7732 -24.7732 -7.6860 -7.6860 -6.5826 -6.5826 -6.5541 -6.5541 0.9984 0.9984 2.8461 2.8461 4.1030 4.1030 4.1124 4.1124 4.7597 4.7597 4.9626 4.9626 4.9974 4.9974 5.0321 5.0321 5.2255 5.2255 5.5508 5.5508 5.5744 5.5744 6.0254 6.0254 7.1842 7.1842 7.5590 7.5590 7.9314 7.9314 7.9603 7.9603 9.1521 9.1521 12.5473 12.5473 13.2653 13.2653 13.6930 13.6930 k =-0.0291 0.0493 0.9827 ( 3590 PWs) bands (ev): -24.7733 -24.7733 -7.6859 -7.6859 -6.5822 -6.5822 -6.5541 -6.5541 0.9999 0.9999 2.8388 2.8388 4.1039 4.1039 4.1195 4.1195 4.7593 4.7593 4.9617 4.9617 4.9923 4.9923 5.0341 5.0341 5.2266 5.2266 5.5448 5.5448 5.5741 5.5741 6.0034 6.0034 7.1774 7.1774 7.5599 7.5599 7.9666 7.9666 7.9695 7.9695 9.1653 9.1653 12.5465 12.5465 13.2653 13.2653 13.7062 13.7062 k =-0.0388 0.0657 0.9827 ( 3594 PWs) bands (ev): -24.7733 -24.7733 -7.6856 -7.6856 -6.5817 -6.5817 -6.5542 -6.5542 1.0020 1.0020 2.8287 2.8287 4.1052 4.1052 4.1292 4.1292 4.7586 4.7586 4.9605 4.9605 4.9856 4.9856 5.0365 5.0365 5.2280 5.2280 5.5367 5.5367 5.5736 5.5736 5.9741 5.9741 7.1677 7.1677 7.5614 7.5614 7.9828 7.9828 8.0143 8.0143 9.1839 9.1839 12.5454 12.5454 13.2654 13.2654 13.7229 13.7229 k =-0.0485 0.0821 0.9827 ( 3594 PWs) bands (ev): -24.7734 -24.7734 -7.6853 -7.6853 -6.5810 -6.5810 -6.5543 -6.5543 1.0045 1.0045 2.8158 2.8158 4.1069 4.1069 4.1417 4.1417 4.7574 4.7574 4.9586 4.9586 4.9779 4.9779 5.0392 5.0392 5.2298 5.2298 5.5265 5.5265 5.5729 5.5729 5.9386 5.9386 7.1550 7.1550 7.5634 7.5634 8.0005 8.0005 8.0733 8.0733 9.2075 9.2075 12.5441 12.5441 13.2656 13.2656 13.7410 13.7410 k =-0.0582 0.0985 0.9827 ( 3586 PWs) bands (ev): -24.7735 -24.7735 -7.6850 -7.6850 -6.5802 -6.5802 -6.5544 -6.5544 1.0076 1.0076 2.8003 2.8003 4.1088 4.1088 4.1568 4.1568 4.7555 4.7555 4.9559 4.9559 4.9701 4.9701 5.0422 5.0422 5.2320 5.2320 5.5144 5.5144 5.5722 5.5722 5.8980 5.8980 7.1393 7.1393 7.5662 7.5662 8.0229 8.0229 8.1424 8.1424 9.2361 9.2361 12.5428 12.5428 13.2660 13.2660 13.7580 13.7580 k =-0.0679 0.1149 0.9827 ( 3570 PWs) bands (ev): -24.7735 -24.7735 -7.6845 -7.6845 -6.5792 -6.5792 -6.5544 -6.5544 1.0110 1.0110 2.7822 2.7822 4.1110 4.1110 4.1744 4.1744 4.7527 4.7527 4.9513 4.9513 4.9633 4.9633 5.0455 5.0455 5.2344 5.2344 5.5008 5.5008 5.5712 5.5712 5.8537 5.8537 7.1209 7.1209 7.5696 7.5696 8.0502 8.0502 8.2204 8.2204 9.2696 9.2696 12.5415 12.5415 13.2666 13.2666 13.7706 13.7706 k =-0.0776 0.1313 0.9827 ( 3574 PWs) bands (ev): -24.7737 -24.7737 -7.6841 -7.6841 -6.5780 -6.5780 -6.5546 -6.5546 1.0147 1.0147 2.7618 2.7618 4.1133 4.1133 4.1944 4.1944 4.7487 4.7487 4.9441 4.9441 4.9585 4.9585 5.0487 5.0487 5.2370 5.2370 5.4858 5.4858 5.5701 5.5701 5.8066 5.8066 7.1000 7.1000 7.5737 7.5737 8.0825 8.0825 8.3063 8.3063 9.3078 9.3078 12.5404 12.5404 13.2675 13.2675 13.7752 13.7752 k =-0.0873 0.1478 0.9827 ( 3576 PWs) bands (ev): -24.7738 -24.7738 -7.6835 -7.6835 -6.5768 -6.5768 -6.5547 -6.5547 1.0186 1.0186 2.7390 2.7390 4.1158 4.1158 4.2165 4.2165 4.7434 4.7434 4.9356 4.9356 4.9548 4.9548 5.0520 5.0520 5.2398 5.2398 5.4696 5.4696 5.5688 5.5688 5.7580 5.7580 7.0770 7.0770 7.5785 7.5785 8.1198 8.1198 8.3991 8.3991 9.3505 9.3505 12.5396 12.5396 13.2687 13.2687 13.7684 13.7684 k =-0.0873 0.1478 0.9827 ( 3576 PWs) bands (ev): -24.7738 -24.7738 -7.6835 -7.6835 -6.5768 -6.5768 -6.5547 -6.5547 1.0186 1.0186 2.7390 2.7390 4.1158 4.1158 4.2165 4.2165 4.7434 4.7434 4.9356 4.9356 4.9548 4.9548 5.0520 5.0520 5.2398 5.2398 5.4696 5.4696 5.5688 5.5688 5.7580 5.7580 7.0770 7.0770 7.5785 7.5785 8.1198 8.1198 8.3991 8.3991 9.3505 9.3505 12.5396 12.5396 13.2687 13.2687 13.7684 13.7684 k =-0.0942 0.1594 0.9691 ( 3582 PWs) bands (ev): -24.7739 -24.7739 -7.6831 -7.6831 -6.5758 -6.5758 -6.5547 -6.5547 1.0214 1.0214 2.7217 2.7217 4.1184 4.1184 4.2330 4.2330 4.7384 4.7384 4.9271 4.9271 4.9541 4.9541 5.0539 5.0539 5.2421 5.2421 5.4578 5.4578 5.5668 5.5668 5.7244 5.7244 7.0510 7.0510 7.5904 7.5904 8.1511 8.1511 8.4684 8.4684 9.3835 9.3835 12.5412 12.5412 13.2657 13.2657 13.7571 13.7571 k =-0.1011 0.1710 0.9556 ( 3581 PWs) bands (ev): -24.7740 -24.7740 -7.6826 -7.6826 -6.5749 -6.5749 -6.5545 -6.5545 1.0241 1.0241 2.7035 2.7035 4.1223 4.1223 4.2495 4.2495 4.7324 4.7324 4.9157 4.9157 4.9550 4.9550 5.0552 5.0552 5.2449 5.2449 5.4462 5.4462 5.5630 5.5630 5.6934 5.6934 7.0099 7.0099 7.6156 7.6156 8.1886 8.1886 8.5399 8.5399 9.4191 9.4191 12.5466 12.5466 13.2549 13.2549 13.7412 13.7412 k =-0.1080 0.1827 0.9421 ( 3583 PWs) bands (ev): -24.7741 -24.7741 -7.6820 -7.6820 -6.5742 -6.5742 -6.5540 -6.5540 1.0268 1.0268 2.6845 2.6845 4.1275 4.1275 4.2661 4.2661 4.7258 4.7258 4.9030 4.9030 4.9560 4.9560 5.0557 5.0557 5.2480 5.2480 5.4351 5.4351 5.5568 5.5568 5.6653 5.6653 6.9586 6.9586 7.6491 7.6491 8.2324 8.2324 8.6126 8.6126 9.4578 9.4578 12.5559 12.5559 13.2377 13.2377 13.7194 13.7194 k =-0.1148 0.1943 0.9286 ( 3579 PWs) bands (ev): -24.7742 -24.7742 -7.6815 -7.6815 -6.5736 -6.5736 -6.5532 -6.5532 1.0294 1.0294 2.6649 2.6649 4.1341 4.1341 4.2823 4.2823 4.7191 4.7191 4.8897 4.8897 4.9563 4.9563 5.0555 5.0555 5.2511 5.2511 5.4246 5.4246 5.5481 5.5481 5.6404 5.6404 6.9011 6.9011 7.6874 7.6874 8.2820 8.2820 8.6859 8.6859 9.5003 9.5003 12.5691 12.5691 13.2153 13.2153 13.6909 13.6909 k =-0.1217 0.2059 0.9151 ( 3587 PWs) bands (ev): -24.7744 -24.7744 -7.6808 -7.6808 -6.5734 -6.5734 -6.5520 -6.5520 1.0319 1.0319 2.6448 2.6448 4.1418 4.1418 4.2982 4.2982 4.7125 4.7125 4.8762 4.8762 4.9554 4.9554 5.0546 5.0546 5.2537 5.2537 5.4152 5.4152 5.5366 5.5366 5.6189 5.6189 6.8399 6.8399 7.7283 7.7283 8.3369 8.3369 8.7584 8.7584 9.5473 9.5473 12.5862 12.5862 13.1888 13.1888 13.6560 13.6560 k =-0.1286 0.2176 0.9016 ( 3582 PWs) bands (ev): -24.7745 -24.7745 -7.6802 -7.6802 -6.5735 -6.5735 -6.5503 -6.5503 1.0344 1.0344 2.6244 2.6244 4.1507 4.1507 4.3135 4.3135 4.7066 4.7066 4.8628 4.8628 4.9532 4.9532 5.0533 5.0533 5.2554 5.2554 5.4070 5.4070 5.5224 5.5224 5.6008 5.6008 6.7768 6.7768 7.7707 7.7707 8.3964 8.3964 8.8292 8.8292 9.5999 9.5999 12.6071 12.6071 13.1595 13.1595 13.6152 13.6152 k =-0.1355 0.2292 0.8880 ( 3586 PWs) bands (ev): -24.7747 -24.7747 -7.6795 -7.6795 -6.5738 -6.5738 -6.5483 -6.5483 1.0368 1.0368 2.6036 2.6036 4.1606 4.1606 4.3280 4.3280 4.7013 4.7013 4.8499 4.8499 4.9496 4.9496 5.0518 5.0518 5.2559 5.2559 5.4003 5.4003 5.5063 5.5063 5.5852 5.5852 6.7126 6.7126 7.8141 7.8141 8.4596 8.4596 8.8970 8.8970 9.6589 9.6589 12.6319 12.6319 13.1283 13.1283 13.5696 13.5696 k =-0.1424 0.2409 0.8745 ( 3590 PWs) bands (ev): -24.7749 -24.7749 -7.6788 -7.6788 -6.5745 -6.5745 -6.5460 -6.5460 1.0391 1.0391 2.5828 2.5828 4.1714 4.1714 4.3415 4.3415 4.6969 4.6969 4.8377 4.8377 4.9447 4.9447 5.0503 5.0503 5.2548 5.2548 5.3950 5.3950 5.4890 5.4890 5.5713 5.5713 6.6483 6.6483 7.8586 7.8586 8.5255 8.5255 8.9609 8.9609 9.7253 9.7253 12.6605 12.6605 13.0963 13.0963 13.5201 13.5201 k =-0.1492 0.2525 0.8610 ( 3588 PWs) bands (ev): -24.7750 -24.7750 -7.6782 -7.6782 -6.5752 -6.5752 -6.5434 -6.5434 1.0413 1.0413 2.5620 2.5620 4.1832 4.1832 4.3539 4.3539 4.6931 4.6931 4.8267 4.8267 4.9387 4.9387 5.0487 5.0487 5.2519 5.2519 5.3910 5.3910 5.4714 5.4714 5.5585 5.5585 6.5844 6.5844 7.9042 7.9042 8.5931 8.5931 9.0199 9.0199 9.7997 9.7997 12.6928 12.6928 13.0640 13.0640 13.4677 13.4677 k =-0.1561 0.2641 0.8475 ( 3587 PWs) bands (ev): -24.7752 -24.7752 -7.6775 -7.6775 -6.5762 -6.5762 -6.5405 -6.5405 1.0434 1.0434 2.5413 2.5413 4.1957 4.1957 4.3651 4.3651 4.6899 4.6899 4.8173 4.8173 4.9318 4.9318 5.0473 5.0473 5.2473 5.2473 5.3879 5.3879 5.4541 5.4541 5.5464 5.5464 6.5211 6.5211 7.9511 7.9511 8.6614 8.6614 9.0736 9.0736 9.8823 9.8823 12.7288 12.7288 13.0323 13.0323 13.4133 13.4133 k =-0.1630 0.2758 0.8340 ( 3587 PWs) bands (ev): -24.7754 -24.7754 -7.6768 -7.6768 -6.5772 -6.5772 -6.5376 -6.5376 1.0454 1.0454 2.5208 2.5208 4.2090 4.2090 4.3750 4.3750 4.6867 4.6867 4.8099 4.8099 4.9246 4.9246 5.0460 5.0460 5.2411 5.2411 5.3849 5.3849 5.4377 5.4377 5.5350 5.5350 6.4588 6.4588 7.9995 7.9995 8.7294 8.7294 9.1219 9.1219 9.9731 9.9731 12.7684 12.7684 13.0016 13.0016 13.3578 13.3578 k =-0.1699 0.2874 0.8205 ( 3582 PWs) bands (ev): -24.7755 -24.7755 -7.6761 -7.6761 -6.5784 -6.5784 -6.5345 -6.5345 1.0473 1.0473 2.5007 2.5007 4.2229 4.2229 4.3837 4.3837 4.6832 4.6832 4.8048 4.8048 4.9173 4.9173 5.0448 5.0448 5.2338 5.2338 5.3810 5.3810 5.4227 5.4227 5.5243 5.5243 6.3976 6.3976 8.0494 8.0494 8.7963 8.7963 9.1648 9.1648 10.0718 10.0718 12.8114 12.8114 12.9725 12.9725 13.3018 13.3018 k =-0.1767 0.2990 0.8069 ( 3578 PWs) bands (ev): -24.7757 -24.7757 -7.6754 -7.6754 -6.5795 -6.5795 -6.5313 -6.5313 1.0492 1.0492 2.4810 2.4810 4.2374 4.2374 4.3913 4.3913 4.6788 4.6788 4.8021 4.8021 4.9104 4.9104 5.0437 5.0437 5.2257 5.2257 5.3745 5.3745 5.4101 5.4101 5.5146 5.5146 6.3377 6.3377 8.1010 8.1010 8.8611 8.8611 9.2029 9.2029 10.1778 10.1778 12.8574 12.8574 12.9457 12.9457 13.2463 13.2463 k =-0.1836 0.3107 0.7934 ( 3576 PWs) bands (ev): -24.7759 -24.7759 -7.6747 -7.6747 -6.5807 -6.5807 -6.5281 -6.5281 1.0509 1.0509 2.4619 2.4619 4.2521 4.2521 4.3981 4.3981 4.6734 4.6734 4.8015 4.8015 4.9044 4.9044 5.0428 5.0428 5.2172 5.2172 5.3644 5.3644 5.4005 5.4005 5.5063 5.5063 6.2792 6.2792 8.1543 8.1543 8.9230 8.9230 9.2367 9.2367 10.2903 10.2903 12.8998 12.8998 12.9276 12.9276 13.1920 13.1920 k =-0.1905 0.3223 0.7799 ( 3583 PWs) bands (ev): -24.7761 -24.7761 -7.6741 -7.6741 -6.5819 -6.5819 -6.5249 -6.5249 1.0524 1.0524 2.4435 2.4435 4.2670 4.2670 4.4041 4.4041 4.6671 4.6671 4.8020 4.8020 4.8996 4.8996 5.0421 5.0421 5.2087 5.2087 5.3514 5.3514 5.3929 5.3929 5.4997 5.4997 6.2222 6.2222 8.2093 8.2093 8.9811 8.9811 9.2665 9.2665 10.4086 10.4086 12.8907 12.8907 12.9657 12.9657 13.1401 13.1401 k =-0.1974 0.3339 0.7664 ( 3573 PWs) bands (ev): -24.7762 -24.7762 -7.6735 -7.6735 -6.5831 -6.5831 -6.5217 -6.5217 1.0539 1.0539 2.4258 2.4258 4.2820 4.2820 4.4098 4.4098 4.6601 4.6601 4.8028 4.8028 4.8966 4.8966 5.0418 5.0418 5.2007 5.2007 5.3368 5.3368 5.3858 5.3858 5.4949 5.4949 6.1667 6.1667 8.2659 8.2659 9.0347 9.0347 9.2930 9.2930 10.5320 10.5320 12.8685 12.8685 13.0201 13.0201 13.0931 13.0931 k =-0.2043 0.3456 0.7529 ( 3571 PWs) bands (ev): -24.7764 -24.7764 -7.6729 -7.6729 -6.5843 -6.5843 -6.5186 -6.5186 1.0553 1.0553 2.4089 2.4089 4.2968 4.2968 4.4155 4.4155 4.6526 4.6526 4.8028 4.8028 4.8952 4.8952 5.0420 5.0420 5.1935 5.1935 5.3217 5.3217 5.3786 5.3786 5.4918 5.4918 6.1128 6.1128 8.3238 8.3238 9.0830 9.0830 9.3166 9.3166 10.6599 10.6599 12.8452 12.8452 13.0422 13.0422 13.0877 13.0877 k =-0.2111 0.3572 0.7394 ( 3571 PWs) bands (ev): -24.7766 -24.7766 -7.6723 -7.6723 -6.5855 -6.5855 -6.5156 -6.5156 1.0565 1.0565 2.3930 2.3930 4.3111 4.3111 4.4215 4.4215 4.6450 4.6450 4.8015 4.8015 4.8951 4.8951 5.0428 5.0428 5.1874 5.1874 5.3068 5.3068 5.3710 5.3710 5.4900 5.4900 6.0605 6.0605 8.3831 8.3831 9.1255 9.1255 9.3375 9.3375 10.7915 10.7915 12.8202 12.8202 13.0093 13.0093 13.1480 13.1480 k =-0.2180 0.3689 0.7258 ( 3575 PWs) bands (ev): -24.7767 -24.7767 -7.6718 -7.6718 -6.5865 -6.5865 -6.5128 -6.5128 1.0576 1.0576 2.3780 2.3780 4.3246 4.3246 4.4282 4.4282 4.6374 4.6374 4.7990 4.7990 4.8955 4.8955 5.0444 5.0444 5.1828 5.1828 5.2929 5.2929 5.3632 5.3632 5.4892 5.4892 6.0099 6.0099 8.4433 8.4433 9.1614 9.1614 9.3561 9.3561 10.9264 10.9264 12.7921 12.7921 12.9826 12.9826 13.2142 13.2142 k =-0.2249 0.3805 0.7123 ( 3571 PWs) bands (ev): -24.7768 -24.7768 -7.6713 -7.6713 -6.5876 -6.5876 -6.5100 -6.5100 1.0586 1.0586 2.3641 2.3641 4.3371 4.3371 4.4358 4.4358 4.6300 4.6300 4.7953 4.7953 4.8954 4.8954 5.0465 5.0465 5.1795 5.1795 5.2807 5.2807 5.3557 5.3557 5.4892 5.4892 5.9610 5.9610 8.5044 8.5044 9.1904 9.1904 9.3725 9.3725 11.0639 11.0639 12.7609 12.7609 12.9649 12.9649 13.2838 13.2838 k =-0.2318 0.3921 0.6988 ( 3565 PWs) bands (ev): -24.7770 -24.7770 -7.6709 -7.6709 -6.5885 -6.5885 -6.5075 -6.5075 1.0596 1.0596 2.3514 2.3514 4.3481 4.3481 4.4446 4.4446 4.6230 4.6230 4.7910 4.7910 4.8943 4.8943 5.0489 5.0489 5.1773 5.1773 5.2714 5.2714 5.3488 5.3488 5.4896 5.4896 5.9138 5.9138 8.5658 8.5658 9.2121 9.2121 9.3870 9.3870 11.2033 11.2033 12.7277 12.7277 12.9555 12.9555 13.3565 13.3565 k =-0.2386 0.4038 0.6853 ( 3565 PWs) bands (ev): -24.7771 -24.7771 -7.6705 -7.6705 -6.5894 -6.5894 -6.5051 -6.5051 1.0604 1.0604 2.3398 2.3398 4.3575 4.3575 4.4546 4.4546 4.6163 4.6163 4.7862 4.7862 4.8919 4.8919 5.0509 5.0509 5.1754 5.1754 5.2661 5.2661 5.3427 5.3427 5.4902 5.4902 5.8686 5.8686 8.6273 8.6273 9.2262 9.2262 9.3997 9.3997 11.3438 11.3438 12.6943 12.6943 12.9526 12.9526 13.4321 13.4321 k =-0.2455 0.4154 0.6718 ( 3557 PWs) bands (ev): -24.7772 -24.7772 -7.6701 -7.6701 -6.5902 -6.5902 -6.5030 -6.5030 1.0611 1.0611 2.3295 2.3295 4.3654 4.3654 4.4656 4.4656 4.6101 4.6101 4.7811 4.7811 4.8884 4.8884 5.0522 5.0522 5.1728 5.1728 5.2656 5.2656 5.3381 5.3381 5.4909 5.4909 5.8254 5.8254 8.6884 8.6884 9.2328 9.2328 9.4107 9.4107 11.4845 11.4845 12.6621 12.6621 12.9546 12.9546 13.5102 13.5102 k =-0.2524 0.4270 0.6583 ( 3567 PWs) bands (ev): -24.7773 -24.7773 -7.6698 -7.6698 -6.5909 -6.5909 -6.5011 -6.5011 1.0617 1.0617 2.3204 2.3204 4.3717 4.3717 4.4773 4.4773 4.6042 4.6042 4.7760 4.7760 4.8841 4.8841 5.0526 5.0526 5.1692 5.1692 5.2695 5.2695 5.3357 5.3357 5.4914 5.4914 5.7845 5.7845 8.7487 8.7487 9.2318 9.2318 9.4201 9.4201 11.6240 11.6240 12.6325 12.6325 12.9597 12.9597 13.5898 13.5898 k =-0.2593 0.4387 0.6447 ( 3566 PWs) bands (ev): -24.7774 -24.7774 -7.6696 -7.6696 -6.5915 -6.5915 -6.4995 -6.4995 1.0622 1.0622 2.3127 2.3127 4.3768 4.3768 4.4893 4.4893 4.5987 4.5987 4.7711 4.7711 4.8795 4.8795 5.0521 5.0521 5.1649 5.1649 5.2757 5.2757 5.3368 5.3368 5.4917 5.4917 5.7464 5.7464 8.8076 8.8076 9.2234 9.2234 9.4279 9.4279 11.7603 11.7603 12.6066 12.6066 12.9667 12.9667 13.6588 13.6588 k =-0.2662 0.4503 0.6312 ( 3572 PWs) bands (ev): -24.7774 -24.7774 -7.6693 -7.6693 -6.5920 -6.5920 -6.4982 -6.4982 1.0626 1.0626 2.3063 2.3063 4.3807 4.3807 4.5009 4.5009 4.5935 4.5935 4.7666 4.7666 4.8750 4.8750 5.0510 5.0510 5.1606 5.1606 5.2813 5.2813 5.3424 5.3424 5.4917 5.4917 5.7118 5.7118 8.8644 8.8644 9.2082 9.2082 9.4343 9.4343 11.8904 11.8904 12.5849 12.5849 12.9742 12.9742 13.5747 13.5747 k =-0.2730 0.4619 0.6177 ( 3568 PWs) bands (ev): -24.7775 -24.7775 -7.6692 -7.6692 -6.5924 -6.5924 -6.4971 -6.4971 1.0629 1.0629 2.3013 2.3013 4.3836 4.3836 4.5115 4.5115 4.5887 4.5887 4.7626 4.7626 4.8712 4.8712 5.0496 5.0496 5.1569 5.1569 5.2847 5.2847 5.3522 5.3522 5.4912 5.4912 5.6818 5.6818 8.9182 8.9182 9.1869 9.1869 9.4392 9.4392 12.0094 12.0094 12.5682 12.5682 12.9812 12.9812 13.4515 13.4515 k =-0.2799 0.4736 0.6042 ( 3570 PWs) bands (ev): -24.7775 -24.7775 -7.6691 -7.6691 -6.5927 -6.5927 -6.4963 -6.4963 1.0631 1.0631 2.2977 2.2977 4.3856 4.3856 4.5204 4.5204 4.5844 4.5844 4.7595 4.7595 4.8682 4.8682 5.0482 5.0482 5.1541 5.1541 5.2862 5.2862 5.3636 5.3636 5.4903 5.4903 5.6579 5.6579 8.9675 8.9675 9.1608 9.1608 9.4427 9.4427 12.1093 12.1093 12.5569 12.5569 12.9868 12.9868 13.3465 13.3465 k =-0.2868 0.4852 0.5907 ( 3566 PWs) bands (ev): -24.7775 -24.7775 -7.6690 -7.6690 -6.5929 -6.5929 -6.4959 -6.4959 1.0632 1.0632 2.2955 2.2955 4.3868 4.3868 4.5264 4.5264 4.5814 4.5814 4.7575 4.7575 4.8663 4.8663 5.0473 5.0473 5.1524 5.1524 5.2867 5.2867 5.3729 5.3729 5.4893 5.4893 5.6422 5.6422 9.0083 9.0083 9.1339 9.1339 9.4448 9.4448 12.1781 12.1781 12.5508 12.5508 12.9905 12.9905 13.2736 13.2736 k =-0.2937 0.4969 0.5772 ( 3565 PWs) bands (ev): -24.7776 -24.7776 -7.6690 -7.6690 -6.5930 -6.5930 -6.4957 -6.4957 1.0633 1.0633 2.2948 2.2948 4.3872 4.3872 4.5286 4.5286 4.5803 4.5803 4.7568 4.7568 4.8657 4.8657 5.0470 5.0470 5.1519 5.1519 5.2868 5.2868 5.3766 5.3766 5.4888 5.4888 5.6366 5.6366 9.0270 9.0270 9.1198 9.1198 9.4455 9.4455 12.2030 12.2030 12.5490 12.5490 12.9918 12.9918 13.2471 13.2471 k =-0.2937 0.4969 0.5772 ( 3565 PWs) bands (ev): -24.7776 -24.7776 -7.6690 -7.6690 -6.5930 -6.5930 -6.4957 -6.4957 1.0633 1.0633 2.2948 2.2948 4.3872 4.3872 4.5286 4.5286 4.5803 4.5803 4.7568 4.7568 4.8657 4.8657 5.0470 5.0470 5.1519 5.1519 5.2868 5.2868 5.3766 5.3766 5.4888 5.4888 5.6366 5.6366 9.0270 9.0270 9.1198 9.1198 9.4455 9.4455 12.2030 12.2030 12.5490 12.5490 12.9918 12.9918 13.2471 13.2471 k =-0.2868 0.4853 0.5637 ( 3565 PWs) bands (ev): -24.7775 -24.7775 -7.6696 -7.6696 -6.5944 -6.5944 -6.4954 -6.4954 1.0623 1.0623 2.3265 2.3265 4.4018 4.4018 4.5492 4.5492 4.5888 4.5888 4.7606 4.7606 4.8769 4.8769 5.0285 5.0285 5.1603 5.1603 5.2803 5.2803 5.3499 5.3499 5.4716 5.4716 5.6184 5.6184 8.9714 8.9714 9.1365 9.1365 9.3464 9.3464 12.1157 12.1157 12.6203 12.6203 13.0520 13.0520 13.2197 13.2197 k =-0.2800 0.4737 0.5503 ( 3565 PWs) bands (ev): -24.7774 -24.7774 -7.6701 -7.6701 -6.5956 -6.5956 -6.4952 -6.4952 1.0587 1.0587 2.3573 2.3573 4.4141 4.4141 4.5598 4.5598 4.6025 4.6025 4.7635 4.7635 4.8779 4.8779 5.0198 5.0198 5.1693 5.1693 5.2741 5.2741 5.3273 5.3273 5.4495 5.4495 5.6185 5.6185 8.9173 8.9173 9.1545 9.1545 9.2493 9.2493 12.0248 12.0248 12.6937 12.6937 13.1118 13.1118 13.1951 13.1951 k =-0.2732 0.4622 0.5369 ( 3561 PWs) bands (ev): -24.7773 -24.7773 -7.6705 -7.6705 -6.5965 -6.5965 -6.4950 -6.4950 1.0523 1.0523 2.3872 2.3872 4.4235 4.4235 4.5607 4.5607 4.6203 4.6203 4.7649 4.7649 4.8686 4.8686 5.0220 5.0220 5.1778 5.1778 5.2632 5.2632 5.3165 5.3165 5.4286 5.4286 5.6306 5.6306 8.8656 8.8656 9.1540 9.1540 9.1737 9.1737 11.9315 11.9315 12.7681 12.7681 13.1612 13.1612 13.1826 13.1826 k =-0.2664 0.4506 0.5235 ( 3565 PWs) bands (ev): -24.7773 -24.7773 -7.6708 -7.6708 -6.5972 -6.5972 -6.4947 -6.4947 1.0432 1.0432 2.4159 2.4159 4.4296 4.4296 4.5571 4.5571 4.6357 4.6357 4.7639 4.7639 4.8548 4.8548 5.0310 5.0310 5.1840 5.1840 5.2474 5.2474 5.3187 5.3187 5.4151 5.4151 5.6499 5.6499 8.8167 8.8167 9.0612 9.0612 9.1935 9.1935 11.8366 11.8366 12.8427 12.8427 13.1496 13.1496 13.2322 13.2322 k =-0.2595 0.4391 0.5100 ( 3565 PWs) bands (ev): -24.7773 -24.7773 -7.6709 -7.6709 -6.5975 -6.5975 -6.4946 -6.4946 1.0313 1.0313 2.4434 2.4434 4.4318 4.4318 4.5517 4.5517 4.6439 4.6439 4.7605 4.7605 4.8439 4.8439 5.0417 5.0417 5.1857 5.1857 5.2350 5.2350 5.3246 5.3246 5.4159 5.4159 5.6739 5.6739 8.7709 8.7709 8.9704 8.9704 9.2146 9.2146 11.7405 11.7405 12.9164 12.9164 13.1333 13.1333 13.2870 13.2870 k =-0.2527 0.4275 0.4966 ( 3569 PWs) bands (ev): -24.7773 -24.7773 -7.6709 -7.6709 -6.5976 -6.5976 -6.4944 -6.4944 1.0165 1.0165 2.4694 2.4694 4.4294 4.4294 4.5459 4.5459 4.6416 4.6416 4.7544 4.7544 4.8414 4.8414 5.0499 5.0499 5.1833 5.1833 5.2304 5.2304 5.3269 5.3269 5.4357 5.4357 5.7014 5.7014 8.7287 8.7287 8.8819 8.8819 9.2367 9.2367 11.6437 11.6437 12.9879 12.9879 13.1195 13.1195 13.3392 13.3392 k =-0.2459 0.4160 0.4832 ( 3565 PWs) bands (ev): -24.7773 -24.7773 -7.6708 -7.6708 -6.5975 -6.5975 -6.4943 -6.4943 0.9989 0.9989 2.4940 2.4940 4.4227 4.4227 4.5398 4.5398 4.6297 4.6297 4.7449 4.7449 4.8487 4.8487 5.0522 5.0522 5.1828 5.1828 5.2314 5.2314 5.3273 5.3273 5.4713 5.4713 5.7315 5.7315 8.6902 8.6902 8.7958 8.7958 9.2601 9.2601 11.5465 11.5465 13.0551 13.0551 13.1089 13.1089 13.3884 13.3884 k =-0.2390 0.4044 0.4698 ( 3565 PWs) bands (ev): -24.7773 -24.7773 -7.6706 -7.6706 -6.5970 -6.5970 -6.4942 -6.4942 0.9786 0.9786 2.5169 2.5169 4.4121 4.4121 4.5330 4.5330 4.6117 4.6117 4.7324 4.7324 4.8632 4.8632 5.0475 5.0475 5.1888 5.1888 5.2347 5.2347 5.3299 5.3299 5.5174 5.5174 5.7637 5.7637 8.6555 8.6555 8.7125 8.7125 9.2847 9.2847 11.4490 11.4490 13.0983 13.0983 13.1183 13.1183 13.4351 13.4351 k =-0.2322 0.3929 0.4564 ( 3557 PWs) bands (ev): -24.7773 -24.7773 -7.6702 -7.6702 -6.5962 -6.5962 -6.4942 -6.4942 0.9556 0.9556 2.5381 2.5381 4.3985 4.3985 4.5241 4.5241 4.5915 4.5915 4.7177 4.7177 4.8816 4.8816 5.0378 5.0378 5.2006 5.2006 5.2394 5.2394 5.3367 5.3367 5.5709 5.5709 5.7977 5.7977 8.6209 8.6209 8.6360 8.6360 9.3107 9.3107 11.3516 11.3516 13.0947 13.0947 13.1669 13.1669 13.4814 13.4814 k =-0.2254 0.3813 0.4429 ( 3549 PWs) bands (ev): -24.7774 -24.7774 -7.6697 -7.6697 -6.5952 -6.5952 -6.4941 -6.4941 0.9301 0.9301 2.5575 2.5575 4.3830 4.3830 4.5115 4.5115 4.5718 4.5718 4.7017 4.7017 4.9010 4.9010 5.0261 5.0261 5.2156 5.2156 5.2462 5.2462 5.3482 5.3482 5.6297 5.6297 5.8330 5.8330 8.5509 8.5509 8.6024 8.6024 9.3381 9.3381 11.2545 11.2545 13.0928 13.0928 13.2011 13.2011 13.5301 13.5301 k =-0.2185 0.3698 0.4295 ( 3565 PWs) bands (ev): -24.7775 -24.7775 -7.6691 -7.6691 -6.5939 -6.5939 -6.4941 -6.4941 0.9022 0.9022 2.5751 2.5751 4.3664 4.3664 4.4945 4.4945 4.5538 4.5538 4.6853 4.6853 4.9191 4.9191 5.0151 5.0151 5.2311 5.2311 5.2561 5.2561 5.3640 5.3640 5.6927 5.6927 5.8693 5.8693 8.4760 8.4760 8.5815 8.5815 9.3668 9.3668 11.1577 11.1577 13.0937 13.0937 13.2163 13.2163 13.5837 13.5837 k =-0.2117 0.3582 0.4161 ( 3573 PWs) bands (ev): -24.7776 -24.7776 -7.6684 -7.6684 -6.5923 -6.5923 -6.4942 -6.4942 0.8722 0.8722 2.5908 2.5908 4.3493 4.3493 4.4734 4.4734 4.5374 4.5374 4.6691 4.6691 4.9338 4.9338 5.0077 5.0077 5.2461 5.2461 5.2694 5.2694 5.3840 5.3840 5.7590 5.7590 5.9063 5.9063 8.4040 8.4040 8.5660 8.5660 9.3971 9.3971 11.0614 11.0614 13.0974 13.0974 13.2111 13.2111 13.6427 13.6427 k =-0.2049 0.3466 0.4027 ( 3567 PWs) bands (ev): -24.7777 -24.7777 -7.6675 -7.6675 -6.5904 -6.5904 -6.4943 -6.4943 0.8401 0.8401 2.6046 2.6046 4.3324 4.3324 4.4494 4.4494 4.5215 4.5215 4.6535 4.6535 4.9420 4.9420 5.0071 5.0071 5.2613 5.2613 5.2850 5.2850 5.4077 5.4077 5.8278 5.8278 5.9436 5.9436 8.3355 8.3355 8.5559 8.5559 9.4289 9.4289 10.9659 10.9659 13.1040 13.1040 13.1870 13.1870 13.7059 13.7059 k =-0.1981 0.3351 0.3892 ( 3573 PWs) bands (ev): -24.7778 -24.7778 -7.6666 -7.6666 -6.5883 -6.5883 -6.4944 -6.4944 0.8063 0.8063 2.6164 2.6164 4.3159 4.3159 4.4234 4.4234 4.5054 4.5054 4.6386 4.6386 4.9430 4.9430 5.0142 5.0142 5.2772 5.2772 5.3019 5.3019 5.4346 5.4346 5.8981 5.8981 5.9812 5.9812 8.2708 8.2708 8.5514 8.5514 9.4621 9.4621 10.8712 10.8712 13.1133 13.1133 13.1465 13.1465 13.7715 13.7715 k =-0.1912 0.3235 0.3758 ( 3569 PWs) bands (ev): -24.7779 -24.7779 -7.6655 -7.6655 -6.5860 -6.5860 -6.4944 -6.4944 0.7710 0.7710 2.6263 2.6263 4.3003 4.3003 4.3959 4.3959 4.4890 4.4890 4.6245 4.6245 4.9399 4.9399 5.0263 5.0263 5.2938 5.2938 5.3201 5.3201 5.4642 5.4642 5.9690 5.9690 6.0189 6.0189 8.2105 8.2105 8.5526 8.5526 9.4969 9.4969 10.7774 10.7774 13.0922 13.0922 13.1257 13.1257 13.8379 13.8379 k =-0.1844 0.3120 0.3624 ( 3577 PWs) bands (ev): -24.7780 -24.7780 -7.6644 -7.6644 -6.5835 -6.5835 -6.4946 -6.4946 0.7343 0.7343 2.6344 2.6344 4.2855 4.2855 4.3671 4.3671 4.4724 4.4724 4.6109 4.6109 4.9359 4.9359 5.0403 5.0403 5.3100 5.3100 5.3400 5.3400 5.4959 5.4959 6.0371 6.0371 6.0590 6.0590 8.1550 8.1550 8.5597 8.5597 9.5331 9.5331 10.6847 10.6847 13.0273 13.0273 13.1403 13.1403 13.9036 13.9036 k =-0.1776 0.3004 0.3490 ( 3577 PWs) bands (ev): -24.7782 -24.7782 -7.6632 -7.6632 -6.5807 -6.5807 -6.4947 -6.4947 0.6967 0.6967 2.6407 2.6407 4.2717 4.2717 4.3373 4.3373 4.4560 4.4560 4.5976 4.5976 4.9327 4.9327 5.0551 5.0551 5.3252 5.3252 5.3621 5.3621 5.5295 5.5295 6.0853 6.0853 6.1173 6.1173 8.1052 8.1052 8.5729 8.5729 9.5708 9.5708 10.5931 10.5931 12.9539 12.9539 13.1574 13.1574 13.9675 13.9675 k =-0.1707 0.2889 0.3356 ( 3577 PWs) bands (ev): -24.7783 -24.7783 -7.6619 -7.6619 -6.5778 -6.5778 -6.4947 -6.4947 0.6582 0.6582 2.6452 2.6452 4.2589 4.2589 4.3068 4.3068 4.4400 4.4400 4.5846 4.5846 4.9310 4.9310 5.0702 5.0702 5.3392 5.3392 5.3860 5.3860 5.5645 5.5645 6.1212 6.1212 6.1849 6.1849 8.0618 8.0618 8.5923 8.5923 9.6099 9.6099 10.5027 10.5027 12.8741 12.8741 13.1769 13.1769 14.0288 14.0288 k =-0.1639 0.2773 0.3221 ( 3581 PWs) bands (ev): -24.7785 -24.7785 -7.6605 -7.6605 -6.5748 -6.5748 -6.4948 -6.4948 0.6192 0.6192 2.6481 2.6481 4.2468 4.2468 4.2760 4.2760 4.4246 4.4246 4.5718 4.5718 4.9312 4.9312 5.0852 5.0852 5.3523 5.3523 5.4111 5.4111 5.6008 5.6008 6.1544 6.1544 6.2509 6.2509 8.0257 8.0257 8.6180 8.6180 9.6503 9.6503 10.4138 10.4138 12.7897 12.7897 13.1986 13.1986 14.0866 14.0866 k =-0.1571 0.2658 0.3087 ( 3589 PWs) bands (ev): -24.7787 -24.7787 -7.6591 -7.6591 -6.5717 -6.5717 -6.4948 -6.4948 0.5799 0.5799 2.6494 2.6494 4.2337 4.2337 4.2468 4.2468 4.4099 4.4099 4.5592 4.5592 4.9334 4.9334 5.1001 5.1001 5.3645 5.3645 5.4370 5.4370 5.6379 5.6379 6.1857 6.1857 6.3128 6.3128 7.9981 7.9981 8.6500 8.6500 9.6921 9.6921 10.3263 10.3263 12.7019 12.7019 13.2224 13.2224 14.1402 14.1402 k =-0.1502 0.2542 0.2953 ( 3583 PWs) bands (ev): -24.7788 -24.7788 -7.6577 -7.6577 -6.5685 -6.5685 -6.4948 -6.4948 0.5405 0.5405 2.6494 2.6494 4.2091 4.2091 4.2298 4.2298 4.3959 4.3959 4.5467 4.5467 4.9376 4.9376 5.1151 5.1151 5.3763 5.3763 5.4631 5.4631 5.6759 5.6759 6.2150 6.2150 6.3694 6.3694 7.9801 7.9801 8.6883 8.6883 9.7350 9.7350 10.2404 10.2404 12.6121 12.6121 13.2480 13.2480 14.1885 14.1885 k =-0.1434 0.2426 0.2819 ( 3595 PWs) bands (ev): -24.7790 -24.7790 -7.6562 -7.6562 -6.5652 -6.5652 -6.4947 -6.4947 0.5013 0.5013 2.6480 2.6480 4.1783 4.1783 4.2199 4.2199 4.3825 4.3825 4.5345 4.5345 4.9438 4.9438 5.1299 5.1299 5.3874 5.3874 5.4891 5.4891 5.7144 5.7144 6.2423 6.2423 6.4190 6.4190 7.9728 7.9728 8.7329 8.7329 9.7789 9.7789 10.1563 10.1563 12.5210 12.5210 13.2752 13.2752 14.2308 14.2308 k =-0.1366 0.2311 0.2684 ( 3585 PWs) bands (ev): -24.7792 -24.7792 -7.6548 -7.6548 -6.5620 -6.5620 -6.4944 -6.4944 0.4625 0.4625 2.6455 2.6455 4.1470 4.1470 4.2117 4.2117 4.3700 4.3700 4.5227 4.5227 4.9519 4.9519 5.1446 5.1446 5.3981 5.3981 5.5148 5.5148 5.7534 5.7534 6.2676 6.2676 6.4606 6.4606 7.9771 7.9771 8.7836 8.7836 9.8238 9.8238 10.0741 10.0741 12.4294 12.4294 13.3036 13.3036 14.2659 14.2659 k =-0.1298 0.2195 0.2550 ( 3585 PWs) bands (ev): -24.7794 -24.7794 -7.6533 -7.6533 -6.5588 -6.5588 -6.4941 -6.4941 0.4243 0.4243 2.6420 2.6420 4.1161 4.1161 4.2043 4.2043 4.3581 4.3581 4.5113 4.5113 4.9618 4.9618 5.1592 5.1592 5.4083 5.4083 5.5399 5.5399 5.7924 5.7924 6.2908 6.2908 6.4933 6.4933 7.9937 7.9937 8.8403 8.8403 9.8692 9.8692 9.9942 9.9942 12.3379 12.3379 13.3328 13.3328 14.2925 14.2925 k =-0.1229 0.2080 0.2416 ( 3585 PWs) bands (ev): -24.7796 -24.7796 -7.6518 -7.6518 -6.5556 -6.5556 -6.4937 -6.4937 0.3869 0.3869 2.6376 2.6376 4.0857 4.0857 4.1977 4.1977 4.3468 4.3468 4.5005 4.5005 4.9732 4.9732 5.1736 5.1736 5.4181 5.4181 5.5642 5.5642 5.8314 5.8314 6.3118 6.3118 6.5169 6.5169 8.0226 8.0226 8.9028 8.9028 9.9051 9.9051 9.9267 9.9267 12.2468 12.2468 13.3625 13.3625 14.3087 14.3087 k =-0.1161 0.1964 0.2282 ( 3577 PWs) bands (ev): -24.7798 -24.7798 -7.6504 -7.6504 -6.5527 -6.5527 -6.4931 -6.4931 0.3505 0.3505 2.6326 2.6326 4.0561 4.0561 4.1917 4.1917 4.3360 4.3360 4.4904 4.4904 4.9860 4.9860 5.1879 5.1879 5.4275 5.4275 5.5877 5.5877 5.8702 5.8702 6.3307 6.3307 6.5315 6.5315 8.0634 8.0634 8.9709 8.9709 9.8382 9.8382 9.9646 9.9646 12.1564 12.1564 13.3918 13.3918 14.3126 14.3126 k =-0.1093 0.1849 0.2148 ( 3581 PWs) bands (ev): -24.7800 -24.7800 -7.6489 -7.6489 -6.5498 -6.5498 -6.4923 -6.4923 0.3153 0.3153 2.6269 2.6269 4.0274 4.0274 4.1864 4.1864 4.3257 4.3257 4.4809 4.4809 4.9999 4.9999 5.2020 5.2020 5.4364 5.4364 5.6102 5.6102 5.9082 5.9082 6.3474 6.3474 6.5379 6.5379 8.1151 8.1151 9.0442 9.0442 9.7652 9.7652 10.0114 10.0114 12.0669 12.0669 13.4199 13.4199 14.3019 14.3019 k =-0.1024 0.1733 0.2013 ( 3585 PWs) bands (ev): -24.7801 -24.7801 -7.6476 -7.6476 -6.5472 -6.5472 -6.4914 -6.4914 0.2814 0.2814 2.6208 2.6208 3.9999 3.9999 4.1815 4.1815 4.3157 4.3157 4.4723 4.4723 5.0148 5.0148 5.2160 5.2160 5.4449 5.4449 5.6317 5.6317 5.9453 5.9453 6.3621 6.3621 6.5374 6.5374 8.1763 8.1763 9.1225 9.1225 9.6945 9.6945 10.0585 10.0585 11.9784 11.9784 13.4455 13.4455 14.2746 14.2746 k =-0.0956 0.1618 0.1879 ( 3577 PWs) bands (ev): -24.7803 -24.7803 -7.6462 -7.6462 -6.5449 -6.5449 -6.4903 -6.4903 0.2489 0.2489 2.6145 2.6145 3.9736 3.9736 4.1773 4.1773 4.3061 4.3061 4.4645 4.4645 5.0304 5.0304 5.2298 5.2298 5.4529 5.4529 5.6521 5.6521 5.9812 5.9812 6.3747 6.3747 6.5314 6.5314 8.2453 8.2453 9.2053 9.2053 9.6267 9.6267 10.1054 10.1054 11.8909 11.8909 13.4670 13.4670 14.2302 14.2302 k =-0.0888 0.1502 0.1745 ( 3577 PWs) bands (ev): -24.7805 -24.7805 -7.6449 -7.6449 -6.5427 -6.5427 -6.4890 -6.4890 0.2181 0.2181 2.6080 2.6080 3.9486 3.9486 4.1735 4.1735 4.2968 4.2968 4.4575 4.4575 5.0463 5.0463 5.2433 5.2433 5.4605 5.4605 5.6714 5.6714 6.0152 6.0152 6.3852 6.3852 6.5216 6.5216 8.3204 8.3204 9.2923 9.2923 9.5620 9.5620 10.1518 10.1518 11.8042 11.8042 13.4817 13.4817 14.1701 14.1701 k =-0.0820 0.1387 0.1611 ( 3577 PWs) bands (ev): -24.7806 -24.7806 -7.6437 -7.6437 -6.5409 -6.5409 -6.4876 -6.4876 0.1891 0.1891 2.6014 2.6014 3.9251 3.9251 4.1703 4.1703 4.2877 4.2877 4.4514 4.4514 5.0624 5.0624 5.2568 5.2568 5.4676 5.4676 5.6896 5.6896 6.0468 6.0468 6.3934 6.3934 6.5097 6.5097 8.3998 8.3998 9.3826 9.3826 9.5011 9.5011 10.1973 10.1973 11.7182 11.7182 13.4863 13.4863 14.0975 14.0975 k =-0.0751 0.1271 0.1476 ( 3579 PWs) bands (ev): -24.7808 -24.7808 -7.6426 -7.6426 -6.5393 -6.5393 -6.4860 -6.4860 0.1619 0.1619 2.5949 2.5949 3.9031 3.9031 4.1676 4.1676 4.2790 4.2790 4.4462 4.4462 5.0782 5.0782 5.2701 5.2701 5.4741 5.4741 5.7067 5.7067 6.0754 6.0754 6.3994 6.3994 6.4975 6.4975 8.4817 8.4817 9.4388 9.4388 9.4812 9.4812 10.2415 10.2415 11.6327 11.6327 13.4768 13.4768 14.0167 14.0167 k =-0.0683 0.1155 0.1342 ( 3579 PWs) bands (ev): -24.7809 -24.7809 -7.6415 -7.6415 -6.5379 -6.5379 -6.4844 -6.4844 0.1367 0.1367 2.5887 2.5887 3.8828 3.8828 4.1653 4.1653 4.2705 4.2705 4.4417 4.4417 5.0936 5.0936 5.2832 5.2832 5.4802 5.4802 5.7226 5.7226 6.1002 6.1002 6.4030 6.4030 6.4867 6.4867 8.5644 8.5644 9.3874 9.3874 9.5759 9.5759 10.2841 10.2841 11.5475 11.5475 13.4497 13.4497 13.9319 13.9319 k =-0.0615 0.1040 0.1208 ( 3579 PWs) bands (ev): -24.7811 -24.7811 -7.6405 -7.6405 -6.5368 -6.5368 -6.4828 -6.4828 0.1137 0.1137 2.5827 2.5827 3.8642 3.8642 4.1635 4.1635 4.2624 4.2624 4.4379 4.4379 5.1083 5.1083 5.2960 5.2960 5.4858 5.4858 5.7373 5.7373 6.1203 6.1203 6.4046 6.4046 6.4785 6.4785 8.6461 8.6461 9.3380 9.3380 9.6753 9.6753 10.3246 10.3246 11.4621 11.4621 13.4044 13.4044 13.8464 13.8464 k =-0.0546 0.0924 0.1074 ( 3577 PWs) bands (ev): -24.7812 -24.7812 -7.6396 -7.6396 -6.5359 -6.5359 -6.4812 -6.4812 0.0928 0.0928 2.5771 2.5771 3.8473 3.8473 4.1623 4.1623 4.2547 4.2547 4.4348 4.4348 5.1219 5.1219 5.3085 5.3085 5.4908 5.4908 5.7508 5.7508 6.1349 6.1349 6.4052 6.4052 6.4733 6.4733 8.7252 8.7252 9.2932 9.2932 9.7769 9.7769 10.3626 10.3626 11.3763 11.3763 13.3443 13.3443 13.7634 13.7634 k =-0.0478 0.0809 0.0940 ( 3571 PWs) bands (ev): -24.7813 -24.7813 -7.6388 -7.6388 -6.5351 -6.5351 -6.4796 -6.4796 0.0742 0.0742 2.5720 2.5720 3.8323 3.8323 4.1614 4.1614 4.2476 4.2476 4.4322 4.4322 5.1344 5.1344 5.3206 5.3206 5.4953 5.4953 5.7632 5.7632 6.1438 6.1438 6.4063 6.4063 6.4704 6.4704 8.7997 8.7997 9.2535 9.2535 9.8800 9.8800 10.3976 10.3976 11.2898 11.2898 13.2756 13.2756 13.6852 13.6852 k =-0.0410 0.0693 0.0805 ( 3581 PWs) bands (ev): -24.7814 -24.7814 -7.6381 -7.6381 -6.5345 -6.5345 -6.4781 -6.4781 0.0579 0.0579 2.5674 2.5674 3.8192 3.8192 4.1609 4.1609 4.2409 4.2409 4.4301 4.4301 5.1454 5.1454 5.3319 5.3319 5.4992 5.4992 5.7742 5.7742 6.1471 6.1471 6.4091 6.4091 6.4691 6.4691 8.8676 8.8676 9.2198 9.2198 9.9841 9.9841 10.4292 10.4292 11.2022 11.2022 13.2046 13.2046 13.6137 13.6137 k =-0.0341 0.0578 0.0671 ( 3577 PWs) bands (ev): -24.7815 -24.7815 -7.6375 -7.6375 -6.5341 -6.5341 -6.4768 -6.4768 0.0440 0.0440 2.5634 2.5634 3.8081 3.8081 4.1608 4.1608 4.2350 4.2350 4.4285 4.4285 5.1549 5.1549 5.3423 5.3423 5.5025 5.5025 5.7840 5.7840 6.1459 6.1459 6.4138 6.4138 6.4684 6.4684 8.9264 8.9264 9.1929 9.1929 10.0884 10.0884 10.4568 10.4568 11.1134 11.1134 13.1367 13.1367 13.5505 13.5505 k =-0.0273 0.0462 0.0537 ( 3569 PWs) bands (ev): -24.7816 -24.7816 -7.6370 -7.6370 -6.5337 -6.5337 -6.4757 -6.4757 0.0326 0.0326 2.5601 2.5601 3.7989 3.7989 4.1610 4.1610 4.2298 4.2298 4.4273 4.4273 5.1628 5.1628 5.3515 5.3515 5.5052 5.5052 5.7923 5.7923 6.1420 6.1420 6.4198 6.4198 6.4680 6.4680 8.9736 8.9736 9.1743 9.1743 10.1922 10.1922 10.4802 10.4802 11.0235 11.0235 13.0761 13.0761 13.4971 13.4971 k =-0.0205 0.0347 0.0403 ( 3569 PWs) bands (ev): -24.7816 -24.7816 -7.6366 -7.6366 -6.5334 -6.5334 -6.4748 -6.4748 0.0236 0.0236 2.5574 2.5574 3.7917 3.7917 4.1613 4.1613 4.2256 4.2256 4.4264 4.4264 5.1689 5.1689 5.3590 5.3590 5.5073 5.5073 5.7990 5.7990 6.1368 6.1368 6.4261 6.4261 6.4674 6.4674 9.0065 9.0065 9.1652 9.1652 10.2943 10.2943 10.4988 10.4988 10.9328 10.9328 13.0258 13.0258 13.4545 13.4545 k =-0.0137 0.0231 0.0268 ( 3569 PWs) bands (ev): -24.7817 -24.7817 -7.6363 -7.6363 -6.5333 -6.5333 -6.4742 -6.4742 0.0172 0.0172 2.5555 2.5555 3.7866 3.7866 4.1617 4.1617 4.2225 4.2225 4.4257 4.4257 5.1733 5.1733 5.3647 5.3647 5.5089 5.5089 5.8039 5.8039 6.1319 6.1319 6.4316 6.4316 6.4666 6.4666 9.0248 9.0248 9.1648 9.1648 10.3923 10.3923 10.5123 10.5123 10.8434 10.8434 12.9882 12.9882 13.4234 13.4234 k =-0.0068 0.0116 0.0134 ( 3563 PWs) bands (ev): -24.7817 -24.7817 -7.6361 -7.6361 -6.5332 -6.5332 -6.4738 -6.4738 0.0134 0.0134 2.5543 2.5543 3.7836 3.7836 4.1619 4.1619 4.2205 4.2205 4.4254 4.4254 5.1759 5.1759 5.3682 5.3682 5.5098 5.5098 5.8070 5.8070 6.1286 6.1286 6.4355 6.4355 6.4659 6.4659 9.0325 9.0325 9.1683 9.1683 10.4788 10.4788 10.5209 10.5209 10.7619 10.7619 12.9650 12.9650 13.4045 13.4045 k = 0.0000 0.0000 0.0000 ( 3557 PWs) bands (ev): -24.7817 -24.7817 -7.6361 -7.6361 -6.5331 -6.5331 -6.4736 -6.4736 0.0121 0.0121 2.5540 2.5540 3.7826 3.7826 4.1621 4.1621 4.2198 4.2198 4.4252 4.4252 5.1768 5.1768 5.3694 5.3694 5.5101 5.5101 5.8081 5.8081 6.1274 6.1274 6.4369 6.4369 6.4656 6.4656 9.0344 9.0344 9.1702 9.1702 10.5184 10.5184 10.5280 10.5280 10.7197 10.7197 12.9572 12.9572 13.3982 13.3982 k = 0.0000 0.0000 0.0000 ( 3557 PWs) bands (ev): -24.7817 -24.7817 -7.6361 -7.6361 -6.5331 -6.5331 -6.4736 -6.4736 0.0121 0.0121 2.5540 2.5540 3.7826 3.7826 4.1621 4.1621 4.2198 4.2198 4.4252 4.4252 5.1768 5.1768 5.3694 5.3694 5.5101 5.5101 5.8081 5.8081 6.1274 6.1274 6.4369 6.4369 6.4656 6.4656 9.0344 9.0344 9.1702 9.1702 10.5184 10.5184 10.5280 10.5280 10.7197 10.7197 12.9572 12.9572 13.3982 13.3982 k = 0.0167 0.0099-0.0000 ( 3565 PWs) bands (ev): -24.7817 -24.7817 -7.6361 -7.6361 -6.5332 -6.5332 -6.4736 -6.4736 0.0134 0.0134 2.5516 2.5516 3.7832 3.7832 4.1621 4.1621 4.2198 4.2198 4.4252 4.4252 5.1763 5.1763 5.3692 5.3692 5.5097 5.5097 5.8081 5.8081 6.1100 6.1100 6.4003 6.4003 6.5229 6.5229 9.0320 9.0320 9.1671 9.1671 10.5243 10.5243 10.5332 10.5332 10.7198 10.7198 12.9607 12.9607 13.3906 13.3906 k = 0.0333 0.0197-0.0000 ( 3565 PWs) bands (ev): -24.7817 -24.7817 -7.6362 -7.6362 -6.5333 -6.5333 -6.4736 -6.4736 0.0174 0.0174 2.5446 2.5446 3.7854 3.7854 4.1621 4.1621 4.2197 4.2197 4.4252 4.4252 5.1750 5.1750 5.3689 5.3689 5.5083 5.5083 5.8080 5.8080 6.0638 6.0638 6.3722 6.3722 6.6073 6.6073 9.0250 9.0250 9.1581 9.1581 10.5419 10.5419 10.5485 10.5485 10.7201 10.7201 12.9714 12.9714 13.3687 13.3687 k = 0.0500 0.0296-0.0000 ( 3573 PWs) bands (ev): -24.7817 -24.7817 -7.6362 -7.6362 -6.5336 -6.5336 -6.4736 -6.4736 0.0240 0.0240 2.5330 2.5330 3.7889 3.7889 4.1622 4.1622 4.2193 4.2193 4.4250 4.4250 5.1726 5.1726 5.3684 5.3684 5.5062 5.5062 5.8080 5.8080 6.0005 6.0005 6.3571 6.3571 6.7023 6.7023 9.0137 9.0137 9.1436 9.1436 10.5701 10.5701 10.5739 10.5739 10.7210 10.7210 12.9892 12.9892 13.3354 13.3354 k = 0.0667 0.0394-0.0000 ( 3573 PWs) bands (ev): -24.7817 -24.7817 -7.6364 -7.6364 -6.5339 -6.5339 -6.4736 -6.4736 0.0333 0.0333 2.5171 2.5171 3.7936 3.7936 4.1624 4.1624 4.2190 4.2190 4.4249 4.4249 5.1692 5.1692 5.3677 5.3677 5.5033 5.5033 5.8079 5.8079 5.9300 5.9300 6.3490 6.3490 6.8046 6.8046 8.9987 8.9987 9.1244 9.1244 10.6051 10.6051 10.6111 10.6111 10.7230 10.7230 13.0140 13.0140 13.2937 13.2937 k = 0.0833 0.0493-0.0000 ( 3577 PWs) bands (ev): -24.7817 -24.7817 -7.6365 -7.6365 -6.5344 -6.5344 -6.4735 -6.4735 0.0451 0.0451 2.4970 2.4970 3.7992 3.7992 4.1625 4.1625 4.2186 4.2186 4.4247 4.4247 5.1645 5.1645 5.3667 5.3667 5.4996 5.4996 5.8077 5.8077 5.8574 5.8574 6.3443 6.3443 6.9124 6.9124 8.9804 8.9804 9.1014 9.1014 10.6434 10.6434 10.6595 10.6595 10.7289 10.7289 13.0457 13.0457 13.2466 13.2466 k = 0.1000 0.0591-0.0000 ( 3569 PWs) bands (ev): -24.7817 -24.7817 -7.6367 -7.6367 -6.5349 -6.5349 -6.4735 -6.4735 0.0595 0.0595 2.4731 2.4731 3.8057 3.8057 4.1628 4.1628 4.2180 4.2180 4.4246 4.4246 5.1584 5.1584 5.3657 5.3657 5.4953 5.4953 5.7858 5.7858 5.8076 5.8076 6.3415 6.3415 7.0247 7.0247 8.9597 8.9597 9.0755 9.0755 10.6768 10.6768 10.7167 10.7167 10.7475 10.7475 13.0843 13.0843 13.1964 13.1964 k = 0.1167 0.0690-0.0000 ( 3553 PWs) bands (ev): -24.7817 -24.7817 -7.6369 -7.6369 -6.5355 -6.5355 -6.4734 -6.4734 0.0764 0.0764 2.4457 2.4457 3.8127 3.8127 4.1629 4.1629 4.2175 4.2175 4.4245 4.4245 5.1505 5.1505 5.3644 5.3644 5.4902 5.4902 5.7168 5.7168 5.8075 5.8075 6.3397 6.3397 7.1410 7.1410 8.9371 8.9371 9.0475 9.0475 10.6931 10.6931 10.7815 10.7815 10.7908 10.7908 13.1296 13.1296 13.1447 13.1447 k = 0.1333 0.0788-0.0000 ( 3549 PWs) bands (ev): -24.7816 -24.7816 -7.6372 -7.6372 -6.5361 -6.5361 -6.4733 -6.4733 0.0957 0.0957 2.4149 2.4149 3.8200 3.8200 4.1632 4.1632 4.2169 4.2169 4.4244 4.4244 5.1404 5.1404 5.3629 5.3629 5.4847 5.4847 5.6514 5.6514 5.8073 5.8073 6.3384 6.3384 7.2610 7.2610 8.9133 8.9133 9.0182 9.0182 10.6982 10.6982 10.8505 10.8505 10.8545 10.8545 13.0926 13.0926 13.1815 13.1815 k = 0.1500 0.0887-0.0000 ( 3541 PWs) bands (ev): -24.7816 -24.7816 -7.6374 -7.6374 -6.5369 -6.5369 -6.4733 -6.4733 0.1173 0.1173 2.3813 2.3813 3.8274 3.8274 4.1635 4.1635 4.2162 4.2162 4.4244 4.4244 5.1276 5.1276 5.3613 5.3613 5.4785 5.4785 5.5908 5.5908 5.8071 5.8071 6.3374 6.3374 7.3843 7.3843 8.8887 8.8887 8.9882 8.9882 10.6996 10.6996 10.9218 10.9218 10.9318 10.9318 13.0411 13.0411 13.2399 13.2399 k = 0.1667 0.0985-0.0000 ( 3549 PWs) bands (ev): -24.7816 -24.7816 -7.6377 -7.6377 -6.5376 -6.5376 -6.4732 -6.4732 0.1412 0.1412 2.3451 2.3451 3.8347 3.8347 4.1638 4.1638 4.2154 4.2154 4.4244 4.4244 5.1116 5.1116 5.3594 5.3594 5.4717 5.4717 5.5357 5.5357 5.8068 5.8068 6.3366 6.3366 7.5107 7.5107 8.8640 8.8640 8.9582 8.9582 10.6996 10.6996 10.9996 10.9996 11.0150 11.0150 12.9907 12.9907 13.3045 13.3045 k = 0.1833 0.1084-0.0000 ( 3549 PWs) bands (ev): -24.7816 -24.7816 -7.6380 -7.6380 -6.5385 -6.5385 -6.4731 -6.4731 0.1672 0.1672 2.3066 2.3066 3.8415 3.8415 4.1642 4.1642 4.2146 4.2146 4.4245 4.4245 5.0920 5.0920 5.3574 5.3574 5.4647 5.4647 5.4868 5.4868 5.8066 5.8066 6.3360 6.3360 7.6401 7.6401 8.8395 8.8395 8.9284 8.9284 10.6990 10.6990 11.0830 11.0830 11.1030 11.1030 12.9419 12.9419 13.3751 13.3751 k = 0.2000 0.1182-0.0000 ( 3549 PWs) bands (ev): -24.7816 -24.7816 -7.6383 -7.6383 -6.5394 -6.5394 -6.4730 -6.4730 0.1953 0.1953 2.2661 2.2661 3.8478 3.8478 4.1646 4.1646 4.2138 4.2138 4.4247 4.4247 5.0684 5.0684 5.3553 5.3553 5.4447 5.4447 5.4574 5.4574 5.8063 5.8063 6.3354 6.3354 7.7721 7.7721 8.8154 8.8154 8.8994 8.8994 10.6981 10.6981 11.1713 11.1713 11.1953 11.1953 12.8951 12.8951 13.4517 13.4517 k = 0.2167 0.1281-0.0000 ( 3549 PWs) bands (ev): -24.7816 -24.7816 -7.6387 -7.6387 -6.5403 -6.5403 -6.4729 -6.4729 0.2254 0.2254 2.2239 2.2239 3.8534 3.8534 4.1650 4.1650 4.2129 4.2129 4.4250 4.4250 5.0409 5.0409 5.3530 5.3530 5.4093 5.4093 5.4499 5.4499 5.8060 5.8060 6.3350 6.3350 7.9067 7.9067 8.7922 8.7922 8.8714 8.8714 10.6970 10.6970 11.2639 11.2639 11.2915 11.2915 12.8505 12.8505 13.5339 13.5339 k = 0.2333 0.1379-0.0000 ( 3557 PWs) bands (ev): -24.7816 -24.7816 -7.6390 -7.6390 -6.5412 -6.5412 -6.4729 -6.4729 0.2571 0.2571 2.1804 2.1804 3.8582 3.8582 4.1654 4.1654 4.2120 4.2120 4.4255 4.4255 5.0101 5.0101 5.3506 5.3506 5.3803 5.3803 5.4422 5.4422 5.8056 5.8056 6.3346 6.3346 8.0434 8.0434 8.7699 8.7699 8.8446 8.8446 10.6958 10.6958 11.3605 11.3605 11.3912 11.3912 12.8081 12.8081 13.6215 13.6215 k = 0.2500 0.1478-0.0000 ( 3561 PWs) bands (ev): -24.7816 -24.7816 -7.6393 -7.6393 -6.5421 -6.5421 -6.4728 -6.4728 0.2905 0.2905 2.1358 2.1358 3.8621 3.8621 4.1658 4.1658 4.2111 4.2111 4.4262 4.4262 4.9769 4.9769 5.3482 5.3482 5.3570 5.3570 5.4345 5.4345 5.8052 5.8052 6.3342 6.3342 8.1821 8.1821 8.7487 8.7487 8.8192 8.8192 10.6945 10.6945 11.4605 11.4605 11.4938 11.4938 12.7683 12.7683 13.7142 13.7142 k = 0.2667 0.1576-0.0000 ( 3553 PWs) bands (ev): -24.7815 -24.7815 -7.6397 -7.6397 -6.5430 -6.5430 -6.4727 -6.4727 0.3253 0.3253 2.0903 2.0903 3.8650 3.8650 4.1662 4.1662 4.2103 4.2103 4.4271 4.4271 4.9425 4.9425 5.3383 5.3383 5.3458 5.3458 5.4269 5.4269 5.8049 5.8049 6.3339 6.3339 8.3223 8.3223 8.7289 8.7289 8.7953 8.7953 10.6933 10.6933 11.5636 11.5636 11.5990 11.5990 12.7310 12.7310 13.8116 13.8116 k = 0.2833 0.1675-0.0000 ( 3541 PWs) bands (ev): -24.7815 -24.7815 -7.6400 -7.6400 -6.5439 -6.5439 -6.4726 -6.4726 0.3613 0.3613 2.0443 2.0443 3.8669 3.8669 4.1667 4.1667 4.2095 4.2095 4.4283 4.4283 4.9079 4.9079 5.3233 5.3233 5.3434 5.3434 5.4195 5.4195 5.8046 5.8046 6.3336 6.3336 8.4637 8.4637 8.7103 8.7103 8.7731 8.7731 10.6920 10.6920 11.6693 11.6693 11.7065 11.7065 12.6963 12.6963 13.9133 13.9133 k = 0.3000 0.1773-0.0000 ( 3541 PWs) bands (ev): -24.7815 -24.7815 -7.6403 -7.6403 -6.5448 -6.5448 -6.4725 -6.4725 0.3982 0.3982 1.9981 1.9981 3.8678 3.8678 4.1671 4.1671 4.2086 4.2086 4.4296 4.4296 4.8738 4.8738 5.3111 5.3111 5.3410 5.3410 5.4121 5.4121 5.8042 5.8042 6.3333 6.3333 8.6054 8.6054 8.6932 8.6932 8.7528 8.7528 10.6909 10.6909 11.7773 11.7773 11.8157 11.8157 12.6643 12.6643 13.9967 13.9967 k = 0.3167 0.1872-0.0000 ( 3550 PWs) bands (ev): -24.7815 -24.7815 -7.6407 -7.6407 -6.5457 -6.5457 -6.4724 -6.4724 0.4358 0.4358 1.9520 1.9520 3.8677 3.8677 4.1676 4.1676 4.2077 4.2077 4.4311 4.4311 4.8411 4.8411 5.3012 5.3012 5.3387 5.3387 5.4050 5.4050 5.8039 5.8039 6.3330 6.3330 8.6775 8.6775 8.7278 8.7278 8.7534 8.7534 10.6897 10.6897 11.8870 11.8870 11.9260 11.9260 12.6351 12.6351 13.8713 13.8713 k = 0.3333 0.1970-0.0000 ( 3542 PWs) bands (ev): -24.7815 -24.7815 -7.6410 -7.6410 -6.5465 -6.5465 -6.4723 -6.4723 0.4736 0.4736 1.9064 1.9064 3.8669 3.8669 4.1680 4.1680 4.2070 4.2070 4.4330 4.4330 4.8103 4.8103 5.2930 5.2930 5.3365 5.3365 5.3982 5.3982 5.8036 5.8036 6.3327 6.3327 8.6633 8.6633 8.7152 8.7152 8.8900 8.8900 10.6887 10.6887 11.9979 11.9979 12.0369 12.0369 12.6087 12.6087 13.6982 13.6982 k = 0.3500 0.2069-0.0000 ( 3538 PWs) bands (ev): -24.7815 -24.7815 -7.6413 -7.6413 -6.5473 -6.5473 -6.4723 -6.4723 0.5114 0.5114 1.8616 1.8616 3.8653 3.8653 4.1685 4.1685 4.2063 4.2063 4.4351 4.4351 4.7817 4.7817 5.2862 5.2862 5.3344 5.3344 5.3919 5.3919 5.8033 5.8033 6.3325 6.3325 8.6505 8.6505 8.6999 8.6999 9.0291 9.0291 10.6877 10.6877 12.1094 12.1094 12.1473 12.1473 12.5854 12.5854 13.5255 13.5255 k = 0.3667 0.2167-0.0000 ( 3526 PWs) bands (ev): -24.7815 -24.7815 -7.6415 -7.6415 -6.5480 -6.5480 -6.4722 -6.4722 0.5485 0.5485 1.8183 1.8183 3.8631 3.8631 4.1689 4.1689 4.2057 4.2057 4.4374 4.4374 4.7557 4.7557 5.2805 5.2805 5.3324 5.3324 5.3860 5.3860 5.8030 5.8030 6.3324 6.3324 8.6391 8.6391 8.6861 8.6861 9.1652 9.1652 10.6868 10.6868 12.2205 12.2205 12.2558 12.2558 12.5657 12.5657 13.3566 13.3566 k = 0.3833 0.2266-0.0000 ( 3534 PWs) bands (ev): -24.7814 -24.7814 -7.6418 -7.6418 -6.5486 -6.5486 -6.4721 -6.4721 0.5845 0.5845 1.7769 1.7769 3.8606 3.8606 4.1693 4.1693 4.2051 4.2051 4.4398 4.4398 4.7323 4.7323 5.2758 5.2758 5.3306 5.3306 5.3806 5.3806 5.8028 5.8028 6.3322 6.3322 8.6292 8.6292 8.6740 8.6740 9.2965 9.2965 10.6860 10.6860 12.3302 12.3302 12.3595 12.3595 12.5513 12.5513 13.1945 13.1945 k = 0.4000 0.2364-0.0000 ( 3534 PWs) bands (ev): -24.7814 -24.7814 -7.6420 -7.6420 -6.5492 -6.5492 -6.4721 -6.4721 0.6185 0.6185 1.7381 1.7381 3.8578 3.8578 4.1696 4.1696 4.2046 4.2046 4.4422 4.4422 4.7118 4.7118 5.2718 5.2718 5.3291 5.3291 5.3758 5.3758 5.8026 5.8026 6.3320 6.3320 8.6206 8.6206 8.6636 8.6636 9.4210 9.4210 10.6854 10.6854 12.4367 12.4367 12.4479 12.4479 12.5512 12.5512 13.0422 13.0422 k = 0.4167 0.2463-0.0000 ( 3538 PWs) bands (ev): -24.7814 -24.7814 -7.6422 -7.6422 -6.5497 -6.5497 -6.4720 -6.4720 0.6499 0.6499 1.7028 1.7028 3.8551 3.8551 4.1699 4.1699 4.2041 4.2041 4.4446 4.4446 4.6942 4.6942 5.2686 5.2686 5.3277 5.3277 5.3716 5.3716 5.8023 5.8023 6.3319 6.3319 8.6134 8.6134 8.6548 8.6548 9.5360 9.5360 10.6848 10.6848 12.4852 12.4852 12.5384 12.5384 12.5986 12.5986 12.9029 12.9029 k = 0.4333 0.2561-0.0000 ( 3538 PWs) bands (ev): -24.7814 -24.7814 -7.6423 -7.6423 -6.5501 -6.5501 -6.4720 -6.4720 0.6777 0.6777 1.6718 1.6718 3.8526 3.8526 4.1701 4.1701 4.2037 4.2037 4.4468 4.4468 4.6797 4.6797 5.2660 5.2660 5.3266 5.3266 5.3680 5.3680 5.8021 5.8021 6.3318 6.3318 8.6076 8.6076 8.6476 8.6476 9.6383 9.6383 10.6843 10.6843 12.4857 12.4857 12.6317 12.6317 12.6763 12.6763 12.7808 12.7808 k = 0.4500 0.2660-0.0000 ( 3554 PWs) bands (ev): -24.7814 -24.7814 -7.6425 -7.6425 -6.5505 -6.5505 -6.4719 -6.4719 0.7009 0.7009 1.6462 1.6462 3.8504 3.8504 4.1703 4.1703 4.2033 4.2033 4.4486 4.4486 4.6680 4.6680 5.2640 5.2640 5.3257 5.3257 5.3652 5.3652 5.8020 5.8020 6.3317 6.3317 8.6031 8.6031 8.6420 8.6420 9.7241 9.7241 10.6839 10.6839 12.4808 12.4808 12.6761 12.6761 12.7131 12.7131 12.7528 12.7528 k = 0.4667 0.2758-0.0000 ( 3574 PWs) bands (ev): -24.7814 -24.7814 -7.6426 -7.6426 -6.5507 -6.5507 -6.4719 -6.4719 0.7184 0.7184 1.6269 1.6269 3.8488 3.8488 4.1704 4.1704 4.2031 4.2031 4.4502 4.4502 4.6597 4.6597 5.2625 5.2625 5.3250 5.3250 5.3631 5.3631 5.8018 5.8018 6.3316 6.3316 8.5998 8.5998 8.6381 8.6381 9.7894 9.7894 10.6836 10.6836 12.4766 12.4766 12.5995 12.5995 12.7775 12.7775 12.8111 12.8111 k = 0.4833 0.2857-0.0000 ( 3574 PWs) bands (ev): -24.7814 -24.7814 -7.6426 -7.6426 -6.5508 -6.5508 -6.4719 -6.4719 0.7294 0.7294 1.6149 1.6149 3.8478 3.8478 4.1705 4.1705 4.2029 4.2029 4.4511 4.4511 4.6547 4.6547 5.2616 5.2616 5.3246 5.3246 5.3619 5.3619 5.8018 5.8018 6.3316 6.3316 8.5979 8.5979 8.6357 8.6357 9.8305 9.8305 10.6835 10.6835 12.4744 12.4744 12.5506 12.5506 12.8193 12.8193 12.8493 12.8493 k = 0.5000 0.2955-0.0000 ( 3574 PWs) bands (ev): -24.7814 -24.7814 -7.6426 -7.6426 -6.5509 -6.5509 -6.4719 -6.4719 0.7331 0.7331 1.6108 1.6108 3.8474 3.8474 4.1705 4.1705 4.2029 4.2029 4.4515 4.4515 4.6530 4.6530 5.2614 5.2614 5.3245 5.3245 5.3615 5.3615 5.8017 5.8017 6.3316 6.3316 8.5973 8.5973 8.6349 8.6349 9.8445 9.8445 10.6834 10.6834 12.4739 12.4739 12.5337 12.5337 12.8339 12.8339 12.8625 12.8625 k = 0.5000 0.2955-0.0000 ( 3574 PWs) bands (ev): -24.7814 -24.7814 -7.6426 -7.6426 -6.5509 -6.5509 -6.4719 -6.4719 0.7331 0.7331 1.6108 1.6108 3.8474 3.8474 4.1705 4.1705 4.2029 4.2029 4.4515 4.4515 4.6530 4.6530 5.2614 5.2614 5.3245 5.3245 5.3615 5.3615 5.8017 5.8017 6.3316 6.3316 8.5973 8.5973 8.6349 8.6349 9.8445 9.8445 10.6834 10.6834 12.4739 12.4739 12.5337 12.5337 12.8339 12.8339 12.8625 12.8625 k = 0.4931 0.3072 0.0135 ( 3574 PWs) bands (ev): -24.7814 -24.7814 -7.6427 -7.6427 -6.5509 -6.5509 -6.4720 -6.4720 0.7338 0.7338 1.6118 1.6118 3.8483 3.8483 4.1706 4.1706 4.2037 4.2037 4.4517 4.4517 4.6535 4.6535 5.2612 5.2612 5.3238 5.3238 5.3617 5.3617 5.8011 5.8011 6.3296 6.3296 8.5909 8.5909 8.6306 8.6306 9.8457 9.8457 10.6914 10.6914 12.4774 12.4774 12.5207 12.5207 12.8376 12.8376 12.8659 12.8659 k = 0.4862 0.3188 0.0270 ( 3574 PWs) bands (ev): -24.7814 -24.7814 -7.6428 -7.6428 -6.5509 -6.5509 -6.4724 -6.4724 0.7361 0.7361 1.6147 1.6147 3.8510 3.8510 4.1707 4.1707 4.2060 4.2060 4.4526 4.4526 4.6549 4.6549 5.2607 5.2607 5.3219 5.3219 5.3623 5.3623 5.7991 5.7991 6.3234 6.3234 8.5626 8.5626 8.6275 8.6275 9.8491 9.8491 10.7147 10.7147 12.4682 12.4682 12.5047 12.5047 12.8444 12.8444 12.8778 12.8778 k = 0.4794 0.3304 0.0406 ( 3566 PWs) bands (ev): -24.7813 -24.7813 -7.6431 -7.6431 -6.5510 -6.5510 -6.4731 -6.4731 0.7399 0.7399 1.6196 1.6196 3.8554 3.8554 4.1712 4.1712 4.2097 4.2097 4.4540 4.4540 4.6573 4.6573 5.2598 5.2598 5.3188 5.3188 5.3631 5.3631 5.7958 5.7958 6.3134 6.3134 8.5085 8.5085 8.6316 8.6316 9.8538 9.8538 10.7518 10.7518 12.4128 12.4128 12.5250 12.5250 12.8496 12.8496 12.8974 12.8974 k = 0.4725 0.3421 0.0541 ( 3558 PWs) bands (ev): -24.7813 -24.7813 -7.6434 -7.6434 -6.5511 -6.5511 -6.4740 -6.4740 0.7451 0.7451 1.6263 1.6263 3.8616 3.8616 4.1721 4.1721 4.2148 4.2148 4.4561 4.4561 4.6606 4.6606 5.2586 5.2586 5.3149 5.3149 5.3639 5.3639 5.7912 5.7912 6.2995 6.2995 8.4344 8.4344 8.6403 8.6403 9.8591 9.8591 10.8003 10.8003 12.3389 12.3389 12.5587 12.5587 12.8540 12.8540 12.9207 12.9207 k = 0.4656 0.3537 0.0676 ( 3563 PWs) bands (ev): -24.7812 -24.7812 -7.6438 -7.6438 -6.5513 -6.5513 -6.4751 -6.4751 0.7517 0.7517 1.6350 1.6350 3.8695 3.8695 4.1735 4.1735 4.2209 4.2209 4.4588 4.4588 4.6647 4.6647 5.2569 5.2569 5.3101 5.3101 5.3645 5.3645 5.7853 5.7853 6.2819 6.2819 8.3447 8.3447 8.6521 8.6521 9.8641 9.8641 10.8575 10.8575 12.2534 12.2534 12.6011 12.6011 12.8585 12.8585 12.9450 12.9450 k = 0.4587 0.3653 0.0811 ( 3563 PWs) bands (ev): -24.7811 -24.7811 -7.6443 -7.6443 -6.5515 -6.5515 -6.4765 -6.4765 0.7597 0.7597 1.6456 1.6456 3.8791 3.8791 4.1756 4.1756 4.2281 4.2281 4.4622 4.4622 4.6695 4.6695 5.2549 5.2549 5.3048 5.3048 5.3649 5.3649 5.7782 5.7782 6.2610 6.2610 8.2431 8.2431 8.6664 8.6664 9.8681 9.8681 10.9210 10.9210 12.1590 12.1590 12.6503 12.6503 12.8637 12.8637 12.9696 12.9696 k = 0.4519 0.3770 0.0946 ( 3557 PWs) bands (ev): -24.7810 -24.7810 -7.6449 -7.6449 -6.5519 -6.5519 -6.4780 -6.4780 0.7690 0.7690 1.6580 1.6580 3.8904 3.8904 4.1785 4.1785 4.2362 4.2362 4.4665 4.4665 4.6751 4.6751 5.2525 5.2525 5.2991 5.2991 5.3650 5.3650 5.7697 5.7697 6.2369 6.2369 8.1321 8.1321 8.6827 8.6827 9.8708 9.8708 10.9885 10.9885 12.0578 12.0578 12.7029 12.7029 12.8697 12.8697 12.9943 12.9943 k = 0.4450 0.3886 0.1081 ( 3553 PWs) bands (ev): -24.7809 -24.7809 -7.6456 -7.6456 -6.5523 -6.5523 -6.4796 -6.4796 0.7796 0.7796 1.6722 1.6722 3.9033 3.9033 4.1821 4.1821 4.2453 4.2453 4.4716 4.4716 4.6813 4.6813 5.2495 5.2495 5.2932 5.2932 5.3645 5.3645 5.7600 5.7600 6.2100 6.2100 8.0143 8.0143 8.7006 8.7006 9.8716 9.8716 11.0583 11.0583 11.9512 11.9512 12.7540 12.7540 12.8770 12.8770 13.0193 13.0193 k = 0.4381 0.4003 0.1217 ( 3541 PWs) bands (ev): -24.7808 -24.7808 -7.6463 -7.6463 -6.5528 -6.5528 -6.4813 -6.4813 0.7913 0.7913 1.6882 1.6882 3.9178 3.9178 4.1867 4.1867 4.2554 4.2554 4.4776 4.4776 4.6880 4.6880 5.2459 5.2459 5.2874 5.2874 5.3636 5.3636 5.7491 5.7491 6.1806 6.1806 7.8913 7.8913 8.7199 8.7199 9.8703 9.8703 11.1289 11.1289 11.8404 11.8404 12.7956 12.7956 12.8853 12.8853 13.0449 13.0449 k = 0.4312 0.4119 0.1352 ( 3537 PWs) bands (ev): -24.7807 -24.7807 -7.6472 -7.6472 -6.5534 -6.5534 -6.4831 -6.4831 0.8041 0.8041 1.7059 1.7059 3.9338 3.9338 4.1920 4.1920 4.2662 4.2662 4.4845 4.4845 4.6950 4.6950 5.2414 5.2414 5.2820 5.2820 5.3621 5.3621 5.7369 5.7369 6.1489 6.1489 7.7647 7.7647 8.7402 8.7402 9.8664 9.8664 11.1996 11.1996 11.7264 11.7264 12.8195 12.8195 12.8921 12.8921 13.0714 13.0714 k = 0.4243 0.4235 0.1487 ( 3537 PWs) bands (ev): -24.7805 -24.7805 -7.6481 -7.6481 -6.5542 -6.5542 -6.4849 -6.4849 0.8179 0.8179 1.7253 1.7253 3.9513 3.9513 4.1983 4.1983 4.2780 4.2780 4.4925 4.4925 4.7024 4.7024 5.2358 5.2358 5.2772 5.2772 5.3599 5.3599 5.7236 5.7236 6.1153 6.1153 7.6357 7.6357 8.7613 8.7613 9.8596 9.8596 11.2697 11.2697 11.6100 11.6100 12.8217 12.8217 12.8930 12.8930 13.0987 13.0987 k = 0.4175 0.4352 0.1622 ( 3539 PWs) bands (ev): -24.7804 -24.7804 -7.6490 -7.6490 -6.5552 -6.5552 -6.4867 -6.4867 0.8326 0.8326 1.7464 1.7464 3.9701 3.9701 4.2056 4.2056 4.2905 4.2905 4.5014 4.5014 4.7100 4.7100 5.2291 5.2291 5.2733 5.2733 5.3572 5.3572 5.7092 5.7092 6.0800 6.0800 7.5054 7.5054 8.7827 8.7827 9.8494 9.8494 11.3388 11.3388 11.4921 11.4921 12.8010 12.8010 12.8915 12.8915 13.1270 13.1270 k = 0.4106 0.4468 0.1757 ( 3543 PWs) bands (ev): -24.7802 -24.7802 -7.6501 -7.6501 -6.5564 -6.5564 -6.4884 -6.4884 0.8480 0.8480 1.7689 1.7689 3.9902 3.9902 4.2138 4.2138 4.3039 4.3039 4.5115 4.5115 4.7177 4.7177 5.2213 5.2213 5.2702 5.2702 5.3538 5.3538 5.6937 5.6937 6.0433 6.0433 7.3744 7.3744 8.8044 8.8044 9.8354 9.8354 11.3713 11.3713 11.4087 11.4087 12.7636 12.7636 12.8914 12.8914 13.1564 13.1564 k = 0.4037 0.4584 0.1892 ( 3549 PWs) bands (ev): -24.7801 -24.7801 -7.6512 -7.6512 -6.5578 -6.5578 -6.4900 -6.4900 0.8640 0.8640 1.7930 1.7930 4.0116 4.0116 4.2229 4.2229 4.3181 4.3181 4.5227 4.5227 4.7254 4.7254 5.2127 5.2127 5.2676 5.2676 5.3498 5.3498 5.6771 5.6771 6.0055 6.0055 7.2437 7.2437 8.8260 8.8260 9.8172 9.8172 11.2526 11.2526 11.4750 11.4750 12.7202 12.7202 12.8916 12.8916 13.1868 13.1868 k = 0.3968 0.4701 0.2028 ( 3549 PWs) bands (ev): -24.7799 -24.7799 -7.6523 -7.6523 -6.5594 -6.5594 -6.4914 -6.4914 0.8805 0.8805 1.8185 1.8185 4.0341 4.0341 4.2331 4.2331 4.3331 4.3331 4.5350 4.5350 4.7330 4.7330 5.2035 5.2035 5.2655 5.2655 5.3454 5.3454 5.6597 5.6597 5.9670 5.9670 7.1137 7.1137 8.8473 8.8473 9.7945 9.7945 11.1326 11.1326 11.5414 11.5414 12.6780 12.6780 12.8905 12.8905 13.2181 13.2181 k = 0.3900 0.4817 0.2163 ( 3561 PWs) bands (ev): -24.7797 -24.7797 -7.6535 -7.6535 -6.5611 -6.5611 -6.4927 -6.4927 0.8974 0.8974 1.8452 1.8452 4.0576 4.0576 4.2444 4.2444 4.3489 4.3489 4.5485 4.5485 4.7404 4.7404 5.1938 5.1938 5.2634 5.2634 5.3406 5.3406 5.6413 5.6413 5.9278 5.9278 6.9851 6.9851 8.8683 8.8683 9.7671 9.7671 11.0127 11.0127 11.6071 11.6071 12.6415 12.6415 12.8871 12.8871 13.2502 13.2502 k = 0.3831 0.4933 0.2298 ( 3567 PWs) bands (ev): -24.7795 -24.7795 -7.6547 -7.6547 -6.5631 -6.5631 -6.4938 -6.4938 0.9143 0.9143 1.8732 1.8732 4.0820 4.0820 4.2567 4.2567 4.3654 4.3654 4.5632 4.5632 4.7475 4.7475 5.1841 5.1841 5.2609 5.2609 5.3358 5.3358 5.6221 5.6221 5.8883 5.8883 6.8583 6.8583 8.8888 8.8888 9.7349 9.7349 10.8932 10.8932 11.6721 11.6721 12.6128 12.6128 12.8804 12.8804 13.2826 13.2826 k = 0.3762 0.5050 0.2433 ( 3567 PWs) bands (ev): -24.7793 -24.7793 -7.6559 -7.6559 -6.5653 -6.5653 -6.4948 -6.4948 0.9313 0.9313 1.9024 1.9024 4.1072 4.1072 4.2702 4.2702 4.3827 4.3827 4.5790 4.5790 4.7542 4.7542 5.1745 5.1745 5.2575 5.2575 5.3313 5.3313 5.6025 5.6025 5.8487 5.8487 6.7338 6.7338 8.9088 8.9088 9.6979 9.6979 10.7742 10.7742 11.7364 11.7364 12.5933 12.5933 12.8695 12.8695 13.3148 13.3148 k = 0.3693 0.5166 0.2568 ( 3561 PWs) bands (ev): -24.7792 -24.7792 -7.6572 -7.6572 -6.5676 -6.5676 -6.4955 -6.4955 0.9481 0.9481 1.9325 1.9325 4.1329 4.1329 4.2848 4.2848 4.4007 4.4007 4.5960 4.5960 4.7604 4.7604 5.1654 5.1654 5.2524 5.2524 5.3277 5.3277 5.5824 5.5824 5.8092 5.8092 6.6122 6.6122 8.9281 8.9281 9.6561 9.6561 10.6561 10.6561 11.8003 11.8003 12.5837 12.5837 12.8534 12.8534 13.3462 13.3462 k = 0.3624 0.5283 0.2703 ( 3561 PWs) bands (ev): -24.7790 -24.7790 -7.6584 -7.6584 -6.5701 -6.5701 -6.4960 -6.4960 0.9645 0.9645 1.9636 1.9636 4.1591 4.1591 4.3007 4.3007 4.4193 4.4193 4.6140 4.6140 4.7660 4.7660 5.1569 5.1569 5.2451 5.2451 5.3252 5.3252 5.5621 5.5621 5.7700 5.7700 6.4938 6.4938 8.9468 8.9468 9.6101 9.6101 10.5389 10.5389 11.8639 11.8639 12.5840 12.5840 12.8312 12.8312 13.3752 13.3752 k = 0.3556 0.5399 0.2839 ( 3565 PWs) bands (ev): -24.7788 -24.7788 -7.6597 -7.6597 -6.5726 -6.5726 -6.4964 -6.4964 0.9803 0.9803 1.9955 1.9955 4.1854 4.1854 4.3178 4.3178 4.4383 4.4383 4.6331 4.6331 4.7710 4.7710 5.1493 5.1493 5.2352 5.2352 5.3240 5.3240 5.5419 5.5419 5.7312 5.7312 6.3791 6.3791 8.9650 8.9650 9.5601 9.5601 10.4229 10.4229 11.9274 11.9274 12.5941 12.5941 12.8021 12.8021 13.3996 13.3996 k = 0.3487 0.5515 0.2974 ( 3567 PWs) bands (ev): -24.7786 -24.7786 -7.6609 -7.6609 -6.5752 -6.5752 -6.4967 -6.4967 0.9954 0.9954 2.0280 2.0280 4.2116 4.2116 4.3362 4.3362 4.4576 4.4576 4.6529 4.6529 4.7755 4.7755 5.1428 5.1428 5.2226 5.2226 5.3237 5.3237 5.5222 5.5222 5.6932 5.6932 6.2686 6.2686 8.9826 8.9826 9.5067 9.5067 10.3081 10.3081 11.9909 11.9909 12.6133 12.6133 12.7655 12.7655 13.4161 13.4161 k = 0.3418 0.5632 0.3109 ( 3571 PWs) bands (ev): -24.7785 -24.7785 -7.6621 -7.6621 -6.5777 -6.5777 -6.4968 -6.4968 1.0095 1.0095 2.0610 2.0610 4.2375 4.2375 4.3561 4.3561 4.4769 4.4769 4.6731 4.6731 4.7796 4.7796 5.1378 5.1378 5.2073 5.2073 5.3238 5.3238 5.5035 5.5035 5.6561 5.6561 6.1628 6.1628 8.9997 8.9997 9.4505 9.4505 10.1946 10.1946 12.0546 12.0546 12.6409 12.6409 12.7212 12.7212 13.4213 13.4213 k = 0.3349 0.5748 0.3244 ( 3569 PWs) bands (ev): -24.7783 -24.7783 -7.6633 -7.6633 -6.5803 -6.5803 -6.4968 -6.4968 1.0224 1.0224 2.0945 2.0945 4.2627 4.2627 4.3775 4.3775 4.4961 4.4961 4.6933 4.6933 4.7840 4.7840 5.1343 5.1343 5.1896 5.1896 5.3234 5.3234 5.4864 5.4864 5.6204 5.6204 6.0625 6.0625 9.0165 9.0165 9.3921 9.3921 10.0826 10.0826 12.1188 12.1188 12.6664 12.6664 12.6789 12.6789 13.4136 13.4136 k = 0.3281 0.5864 0.3379 ( 3571 PWs) bands (ev): -24.7782 -24.7782 -7.6644 -7.6644 -6.5827 -6.5827 -6.4968 -6.4968 1.0339 1.0339 2.1281 2.1281 4.2869 4.2869 4.4004 4.4004 4.5146 4.5146 4.7122 4.7122 4.7898 4.7898 5.1325 5.1325 5.1695 5.1695 5.3216 5.3216 5.4713 5.4713 5.5867 5.5867 5.9681 5.9681 9.0329 9.0329 9.3322 9.3322 9.9722 9.9722 12.1834 12.1834 12.6094 12.6094 12.7186 12.7186 13.3949 13.3949 k = 0.3212 0.5981 0.3514 ( 3579 PWs) bands (ev): -24.7780 -24.7780 -7.6655 -7.6655 -6.5851 -6.5851 -6.4966 -6.4966 1.0437 1.0437 2.1619 2.1619 4.3100 4.3100 4.4247 4.4247 4.5321 4.5321 4.7281 4.7281 4.7987 4.7987 5.1322 5.1322 5.1476 5.1476 5.3177 5.3177 5.4577 5.4577 5.5560 5.5560 5.8808 5.8808 9.0492 9.0492 9.2715 9.2715 9.8633 9.8633 12.2477 12.2477 12.5449 12.5449 12.7660 12.7660 13.3689 13.3689 k = 0.3143 0.6097 0.3650 ( 3581 PWs) bands (ev): -24.7779 -24.7779 -7.6665 -7.6665 -6.5873 -6.5873 -6.4964 -6.4964 1.0518 1.0518 2.1956 2.1956 4.3317 4.3317 4.4502 4.4502 4.5478 4.5478 4.7397 4.7397 4.8121 4.8121 5.1217 5.1217 5.1359 5.1359 5.3114 5.3114 5.4437 5.4437 5.5304 5.5304 5.8017 5.8017 9.0651 9.0651 9.2108 9.2108 9.7562 9.7562 12.3082 12.3082 12.4793 12.4793 12.8180 12.8180 13.3390 13.3390 k = 0.3074 0.6213 0.3785 ( 3575 PWs) bands (ev): -24.7778 -24.7778 -7.6674 -7.6674 -6.5894 -6.5894 -6.4962 -6.4962 1.0579 1.0579 2.2291 2.2291 4.3519 4.3519 4.4767 4.4767 4.5612 4.5612 4.7473 4.7473 4.8295 4.8295 5.0968 5.0968 5.1391 5.1391 5.3034 5.3034 5.4261 5.4261 5.5122 5.5122 5.7324 5.7324 9.0801 9.0801 9.1515 9.1515 9.6508 9.6508 12.3367 12.3367 12.4417 12.4417 12.8736 12.8736 13.3077 13.3077 k = 0.3005 0.6330 0.3920 ( 3569 PWs) bands (ev): -24.7776 -24.7776 -7.6682 -7.6682 -6.5913 -6.5913 -6.4960 -6.4960 1.0618 1.0618 2.2622 2.2622 4.3704 4.3704 4.5032 4.5032 4.5720 4.5720 4.7525 4.7525 4.8485 4.8485 5.0710 5.0710 5.1447 5.1447 5.2948 5.2948 5.4031 5.4031 5.5003 5.5003 5.6759 5.6759 9.0784 9.0784 9.1099 9.1099 9.5472 9.5472 12.2838 12.2838 12.4826 12.4826 12.9318 12.9318 13.2767 13.2767 k = 0.2937 0.6446 0.4055 ( 3565 PWs) bands (ev): -24.7776 -24.7776 -7.6690 -7.6690 -6.5930 -6.5930 -6.4957 -6.4957 1.0633 1.0633 2.2948 2.2948 4.3872 4.3872 4.5286 4.5286 4.5803 4.5803 4.7568 4.7568 4.8657 4.8657 5.0470 5.0470 5.1519 5.1519 5.2868 5.2868 5.3766 5.3766 5.4888 5.4888 5.6366 5.6366 9.0270 9.0270 9.1198 9.1198 9.4455 9.4455 12.2030 12.2030 12.5490 12.5490 12.9918 12.9918 13.2471 13.2471 k = 0.2937 0.6446 0.4055 ( 3565 PWs) bands (ev): -24.7776 -24.7776 -7.6690 -7.6690 -6.5930 -6.5930 -6.4957 -6.4957 1.0633 1.0633 2.2948 2.2948 4.3872 4.3872 4.5286 4.5286 4.5803 4.5803 4.7568 4.7568 4.8657 4.8657 5.0470 5.0470 5.1519 5.1519 5.2868 5.2868 5.3766 5.3766 5.4888 5.4888 5.6366 5.6366 9.0270 9.0270 9.1198 9.1198 9.4455 9.4455 12.2030 12.2030 12.5490 12.5490 12.9918 12.9918 13.2471 13.2471 k = 0.2764 0.6403 0.4106 ( 3567 PWs) bands (ev): -24.7775 -24.7775 -7.6692 -7.6692 -6.5935 -6.5935 -6.4956 -6.4956 1.0628 1.0628 2.3073 2.3073 4.3931 4.3931 4.5365 4.5365 4.5834 4.5834 4.7582 4.7582 4.8707 4.8707 5.0381 5.0381 5.1542 5.1542 5.2837 5.2837 5.3676 5.3676 5.4832 5.4832 5.6313 5.6313 8.9726 8.9726 9.1256 9.1256 9.4425 9.4425 12.1699 12.1699 12.5691 12.5691 13.0029 13.0029 13.2369 13.2369 k = 0.2591 0.6359 0.4156 ( 3565 PWs) bands (ev): -24.7775 -24.7775 -7.6694 -7.6694 -6.5940 -6.5940 -6.4955 -6.4955 1.0611 1.0611 2.3204 2.3204 4.3991 4.3991 4.5420 4.5420 4.5875 4.5875 4.7595 4.7595 4.8743 4.8743 5.0285 5.0285 5.1550 5.1550 5.2798 5.2798 5.3609 5.3609 5.4761 5.4761 5.6379 5.6379 8.8695 8.8695 9.1324 9.1324 9.4898 9.4898 12.1352 12.1352 12.5749 12.5749 12.9965 12.9965 13.2282 13.2282 k = 0.2418 0.6316 0.4207 ( 3563 PWs) bands (ev): -24.7775 -24.7775 -7.6696 -7.6696 -6.5945 -6.5945 -6.4954 -6.4954 1.0587 1.0587 2.3339 2.3339 4.4052 4.4052 4.5447 4.5447 4.5929 4.5929 4.7607 4.7607 4.8765 4.8765 5.0183 5.0183 5.1546 5.1546 5.2752 5.2752 5.3556 5.3556 5.4675 5.4675 5.6564 5.6564 8.7452 8.7452 9.1399 9.1399 9.5603 9.5603 12.1002 12.1002 12.5621 12.5621 12.9840 12.9840 13.2208 13.2208 k = 0.2246 0.6272 0.4257 ( 3562 PWs) bands (ev): -24.7774 -24.7774 -7.6698 -7.6698 -6.5950 -6.5950 -6.4953 -6.4953 1.0555 1.0555 2.3474 2.3474 4.4113 4.4113 4.5447 4.5447 4.5996 4.5996 4.7616 4.7616 4.8775 4.8775 5.0081 5.0081 5.1532 5.1532 5.2705 5.2705 5.3510 5.3510 5.4580 5.4580 5.6857 5.6857 8.6131 8.6131 9.1477 9.1477 9.6408 9.6408 12.0656 12.0656 12.5274 12.5274 12.9765 12.9765 13.2144 13.2144 k = 0.2073 0.6229 0.4308 ( 3560 PWs) bands (ev): -24.7774 -24.7774 -7.6700 -7.6700 -6.5954 -6.5954 -6.4951 -6.4951 1.0519 1.0519 2.3608 2.3608 4.4173 4.4173 4.5426 4.5426 4.6069 4.6069 4.7624 4.7624 4.8773 4.8773 4.9980 4.9980 5.1513 5.1513 5.2661 5.2661 5.3466 5.3466 5.4480 5.4480 5.7242 5.7242 8.4789 8.4789 9.1557 9.1557 9.7261 9.7261 12.0321 12.0321 12.4721 12.4721 12.9789 12.9789 13.2090 13.2090 k = 0.1900 0.6185 0.4358 ( 3565 PWs) bands (ev): -24.7774 -24.7774 -7.6701 -7.6701 -6.5958 -6.5958 -6.4950 -6.4950 1.0479 1.0479 2.3739 2.3739 4.4234 4.4234 4.5391 4.5391 4.6143 4.6143 4.7628 4.7628 4.8764 4.8764 4.9884 4.9884 5.1495 5.1495 5.2621 5.2621 5.3421 5.3421 5.4382 5.4382 5.7703 5.7703 8.3453 8.3453 9.1637 9.1637 9.8136 9.8136 12.0003 12.0003 12.4008 12.4008 12.9900 12.9900 13.2052 13.2052 k = 0.1727 0.6142 0.4408 ( 3566 PWs) bands (ev): -24.7774 -24.7774 -7.6703 -7.6703 -6.5961 -6.5961 -6.4949 -6.4949 1.0438 1.0438 2.3863 2.3863 4.4293 4.4293 4.5345 4.5345 4.6215 4.6215 4.7630 4.7630 4.8751 4.8751 4.9793 4.9793 5.1480 5.1480 5.2587 5.2587 5.3376 5.3376 5.4287 5.4287 5.8226 5.8226 8.2137 8.2137 9.1714 9.1714 9.9021 9.9021 11.9704 11.9704 12.3192 12.3192 13.0066 13.0066 13.2033 13.2033 k = 0.1555 0.6099 0.4459 ( 3570 PWs) bands (ev): -24.7774 -24.7774 -7.6704 -7.6704 -6.5964 -6.5964 -6.4948 -6.4948 1.0397 1.0397 2.3980 2.3980 4.4351 4.4351 4.5293 4.5293 4.6281 4.6281 4.7629 4.7629 4.8735 4.8735 4.9709 4.9709 5.1469 5.1469 5.2558 5.2558 5.3333 5.3333 5.4198 5.4198 5.8797 5.8797 8.0852 8.0852 9.1789 9.1789 9.9904 9.9904 11.9426 11.9426 12.2320 12.2320 13.0252 13.0252 13.2041 13.2041 k = 0.1382 0.6055 0.4509 ( 3576 PWs) bands (ev): -24.7773 -24.7773 -7.6705 -7.6705 -6.5967 -6.5967 -6.4947 -6.4947 1.0357 1.0357 2.4088 2.4088 4.4407 4.4407 4.5237 4.5237 4.6338 4.6338 4.7626 4.7626 4.8719 4.8719 4.9633 4.9633 5.1463 5.1463 5.2531 5.2531 5.3294 5.3294 5.4114 5.4114 5.9406 5.9406 7.9609 7.9609 9.1860 9.1860 10.0777 10.0777 11.9173 11.9173 12.1424 12.1424 13.0429 13.0429 13.2083 13.2083 k = 0.1209 0.6012 0.4560 ( 3576 PWs) bands (ev): -24.7773 -24.7773 -7.6706 -7.6706 -6.5969 -6.5969 -6.4946 -6.4946 1.0320 1.0320 2.4186 2.4186 4.4462 4.4462 4.5178 4.5178 4.6387 4.6387 4.7624 4.7624 4.8704 4.8704 4.9566 4.9566 5.1462 5.1462 5.2507 5.2507 5.3260 5.3260 5.4038 5.4038 6.0041 6.0041 7.8417 7.8417 9.1925 9.1925 10.1630 10.1630 11.8943 11.8943 12.0535 12.0535 13.0578 13.0578 13.2165 13.2165 k = 0.1036 0.5968 0.4610 ( 3581 PWs) bands (ev): -24.7773 -24.7773 -7.6707 -7.6707 -6.5971 -6.5971 -6.4945 -6.4945 1.0286 1.0286 2.4273 2.4273 4.4515 4.4515 4.5119 4.5119 4.6427 4.6427 4.7624 4.7624 4.8690 4.8690 4.9509 4.9509 5.1464 5.1464 5.2485 5.2485 5.3232 5.3232 5.3969 5.3969 6.0687 6.0687 7.7290 7.7290 9.1984 9.1984 10.2450 10.2450 11.8733 11.8733 11.9679 11.9679 13.0689 13.0689 13.2283 13.2283 k = 0.0864 0.5925 0.4661 ( 3576 PWs) bands (ev): -24.7773 -24.7773 -7.6708 -7.6708 -6.5973 -6.5973 -6.4944 -6.4944 1.0255 1.0255 2.4347 2.4347 4.4566 4.4566 4.5061 4.5061 4.6457 4.6457 4.7628 4.7628 4.8677 4.8677 4.9460 4.9460 5.1469 5.1469 5.2464 5.2464 5.3212 5.3212 5.3908 5.3908 6.1327 6.1327 7.6244 7.6244 9.2035 9.2035 10.3223 10.3223 11.8500 11.8500 11.8921 11.8921 13.0763 13.0763 13.2424 13.2424 k = 0.0691 0.5881 0.4711 ( 3574 PWs) bands (ev): -24.7773 -24.7773 -7.6708 -7.6708 -6.5974 -6.5974 -6.4944 -6.4944 1.0230 1.0230 2.4409 2.4409 4.4616 4.4616 4.5005 4.5005 4.6478 4.6478 4.7633 4.7633 4.8664 4.8664 4.9422 4.9422 5.1475 5.1475 5.2445 5.2445 5.3198 5.3198 5.3855 5.3855 6.1938 6.1938 7.5302 7.5302 9.2078 9.2078 10.3926 10.3926 11.8001 11.8001 11.8534 11.8534 13.0808 13.0808 13.2571 13.2571 k = 0.0518 0.5838 0.4762 ( 3574 PWs) bands (ev): -24.7773 -24.7773 -7.6709 -7.6709 -6.5976 -6.5976 -6.4943 -6.4943 1.0209 1.0209 2.4458 2.4458 4.4663 4.4663 4.4951 4.4951 4.6492 4.6492 4.7641 4.7641 4.8652 4.8652 4.9393 4.9393 5.1481 5.1481 5.2428 5.2428 5.3190 5.3190 5.3812 5.3812 6.2488 6.2488 7.4495 7.4495 9.2112 9.2112 10.4532 10.4532 11.7393 11.7393 11.8391 11.8391 13.0833 13.0833 13.2706 13.2706 k = 0.0345 0.5794 0.4812 ( 3570 PWs) bands (ev): -24.7773 -24.7773 -7.6709 -7.6709 -6.5976 -6.5976 -6.4943 -6.4943 1.0195 1.0195 2.4493 2.4493 4.4710 4.4710 4.4900 4.4900 4.6501 4.6501 4.7648 4.7648 4.8643 4.8643 4.9373 4.9373 5.1487 5.1487 5.2414 5.2414 5.3187 5.3187 5.3780 5.3780 6.2935 6.2935 7.3864 7.3864 9.2137 9.2137 10.5006 10.5006 11.6900 11.6900 11.8304 11.8304 13.0847 13.0847 13.2813 13.2813 k = 0.0173 0.5751 0.4863 ( 3571 PWs) bands (ev): -24.7773 -24.7773 -7.6709 -7.6709 -6.5977 -6.5977 -6.4942 -6.4942 1.0186 1.0186 2.4514 2.4514 4.4756 4.4756 4.4851 4.4851 4.6505 4.6505 4.7653 4.7653 4.8636 4.8636 4.9362 4.9362 5.1491 5.1491 5.2406 5.2406 5.3185 5.3185 5.3760 5.3760 6.3231 6.3231 7.3457 7.3457 9.2152 9.2152 10.5312 10.5312 11.6581 11.6581 11.8254 11.8254 13.0853 13.0853 13.2882 13.2882 k = 0.0000 0.5707 0.4913 ( 3576 PWs) bands (ev): -24.7773 -24.7773 -7.6709 -7.6709 -6.5977 -6.5977 -6.4942 -6.4942 1.0182 1.0182 2.4521 2.4521 4.4801 4.4801 4.4805 4.4805 4.6507 4.6507 4.7655 4.7655 4.8634 4.8634 4.9358 4.9358 5.1492 5.1492 5.2403 5.2403 5.3185 5.3185 5.3752 5.3752 6.3336 6.3336 7.3316 7.3316 9.2157 9.2157 10.5418 10.5418 11.6470 11.6470 11.8238 11.8238 13.0855 13.0855 13.2905 13.2905 k = 0.0000 0.5707 0.4913 ( 3576 PWs) bands (ev): -24.7773 -24.7773 -7.6709 -7.6709 -6.5977 -6.5977 -6.4942 -6.4942 1.0182 1.0182 2.4521 2.4521 4.4801 4.4801 4.4805 4.4805 4.6507 4.6507 4.7655 4.7655 4.8634 4.8634 4.9358 4.9358 5.1492 5.1492 5.2403 5.2403 5.3185 5.3185 5.3752 5.3752 6.3336 6.3336 7.3316 7.3316 9.2157 9.2157 10.5418 10.5418 11.6470 11.6470 11.8238 11.8238 13.0855 13.0855 13.2905 13.2905 k = 0.0069 0.5590 0.5050 ( 3574 PWs) bands (ev): -24.7773 -24.7773 -7.6709 -7.6709 -6.5976 -6.5976 -6.4944 -6.4944 1.0182 1.0182 2.4528 2.4528 4.4703 4.4703 4.4895 4.4895 4.6476 4.6476 4.7680 4.7680 4.8631 4.8631 4.9361 4.9361 5.1486 5.1486 5.2387 5.2387 5.3219 5.3219 5.3768 5.3768 6.3343 6.3343 7.3325 7.3325 9.2127 9.2127 10.5382 10.5382 11.6473 11.6473 11.7990 11.7990 13.1121 13.1121 13.2845 13.2845 k = 0.0139 0.5472 0.5186 ( 3576 PWs) bands (ev): -24.7772 -24.7772 -7.6710 -7.6710 -6.5975 -6.5975 -6.4948 -6.4948 1.0182 1.0182 2.4551 2.4551 4.4597 4.4597 4.4977 4.4977 4.6396 4.6396 4.7745 4.7745 4.8625 4.8625 4.9373 4.9373 5.1471 5.1471 5.2349 5.2349 5.3312 5.3312 5.3811 5.3811 6.3365 6.3365 7.3353 7.3353 9.2035 9.2035 10.5273 10.5273 11.6458 11.6458 11.7332 11.7332 13.1853 13.1853 13.2723 13.2723 k = 0.0208 0.5355 0.5323 ( 3574 PWs) bands (ev): -24.7772 -24.7772 -7.6711 -7.6711 -6.5972 -6.5972 -6.4956 -6.4956 1.0180 1.0180 2.4589 2.4589 4.4485 4.4485 4.5042 4.5042 4.6288 4.6288 4.7827 4.7827 4.8615 4.8615 4.9392 4.9392 5.1451 5.1451 5.2305 5.2305 5.3448 5.3448 5.3879 5.3879 6.3402 6.3402 7.3399 7.3399 9.1884 9.1884 10.5091 10.5091 11.6040 11.6040 11.6769 11.6769 13.2530 13.2530 13.3018 13.3018 k = 0.0278 0.5237 0.5459 ( 3574 PWs) bands (ev): -24.7772 -24.7772 -7.6713 -7.6713 -6.5968 -6.5968 -6.4967 -6.4967 1.0179 1.0179 2.4642 2.4642 4.4369 4.4369 4.5083 4.5083 4.6178 4.6178 4.7908 4.7908 4.8606 4.8606 4.9420 4.9420 5.1434 5.1434 5.2267 5.2267 5.3612 5.3612 5.3966 5.3966 6.3455 6.3455 7.3463 7.3463 9.1677 9.1677 10.4838 10.4838 11.4882 11.4882 11.6755 11.6755 13.2492 13.2492 13.4314 13.4314 k = 0.0347 0.5120 0.5596 ( 3570 PWs) bands (ev): -24.7771 -24.7771 -7.6715 -7.6715 -6.5963 -6.5963 -6.4980 -6.4980 1.0176 1.0176 2.4710 2.4710 4.4248 4.4248 4.5088 4.5088 4.6089 4.6089 4.7971 4.7971 4.8600 4.8600 4.9458 4.9458 5.1426 5.1426 5.2243 5.2243 5.3792 5.3792 5.4068 5.4068 6.3525 6.3525 7.3545 7.3545 9.1418 9.1418 10.4513 10.4513 11.3517 11.3517 11.6840 11.6840 13.2499 13.2499 13.5785 13.5785 k = 0.0417 0.5002 0.5732 ( 3566 PWs) bands (ev): -24.7770 -24.7770 -7.6717 -7.6717 -6.5957 -6.5957 -6.4996 -6.4996 1.0174 1.0174 2.4791 2.4791 4.4123 4.4123 4.5044 4.5044 4.6039 4.6039 4.8008 4.8008 4.8598 4.8598 4.9505 4.9505 5.1433 5.1433 5.2239 5.2239 5.3977 5.3977 5.4183 5.4183 6.3613 6.3613 7.3645 7.3645 9.1112 9.1112 10.4119 10.4119 11.2065 11.2065 11.6959 11.6959 13.2584 13.2584 13.7316 13.7316 k = 0.0486 0.4885 0.5869 ( 3566 PWs) bands (ev): -24.7769 -24.7769 -7.6720 -7.6720 -6.5950 -6.5950 -6.5015 -6.5015 1.0170 1.0170 2.4886 2.4886 4.3994 4.3994 4.4949 4.4949 4.6034 4.6034 4.8018 4.8018 4.8601 4.8601 4.9561 4.9561 5.1458 5.1458 5.2257 5.2257 5.4149 5.4149 5.4323 5.4323 6.3720 6.3720 7.3762 7.3762 9.0763 9.0763 10.3658 10.3658 11.0566 11.0566 11.7101 11.7101 13.2751 13.2751 13.8405 13.8405 k = 0.0556 0.4767 0.6005 ( 3562 PWs) bands (ev): -24.7768 -24.7768 -7.6724 -7.6724 -6.5942 -6.5942 -6.5036 -6.5036 1.0167 1.0167 2.4994 2.4994 4.3861 4.3861 4.4815 4.4815 4.6064 4.6064 4.8004 4.8004 4.8608 4.8608 4.9622 4.9622 5.1501 5.1501 5.2299 5.2299 5.4284 5.4284 5.4503 5.4503 6.3848 6.3848 7.3897 7.3897 9.0378 9.0378 10.3134 10.3134 10.9047 10.9047 11.7264 11.7264 13.2996 13.2996 13.9233 13.9233 k = 0.0625 0.4650 0.6142 ( 3564 PWs) bands (ev): -24.7767 -24.7767 -7.6728 -7.6728 -6.5934 -6.5934 -6.5059 -6.5059 1.0162 1.0162 2.5113 2.5113 4.3723 4.3723 4.4655 4.4655 4.6119 4.6119 4.7973 4.7973 4.8618 4.8618 4.9685 4.9685 5.1562 5.1562 5.2364 5.2364 5.4388 5.4388 5.4710 5.4710 6.3996 6.3996 7.4048 7.4048 8.9960 8.9960 10.2551 10.2551 10.7523 10.7523 11.7445 11.7445 13.3317 13.3317 14.0071 14.0071 k = 0.0694 0.4532 0.6278 ( 3560 PWs) bands (ev): -24.7765 -24.7765 -7.6732 -7.6732 -6.5924 -6.5924 -6.5084 -6.5084 1.0157 1.0157 2.5243 2.5243 4.3583 4.3583 4.4479 4.4479 4.6190 4.6190 4.7931 4.7931 4.8632 4.8632 4.9749 4.9749 5.1639 5.1639 5.2452 5.2452 5.4473 5.4473 5.4929 5.4929 6.4168 6.4168 7.4215 7.4215 8.9515 8.9515 10.1915 10.1915 10.6006 10.6006 11.7642 11.7642 13.3705 13.3705 14.0924 14.0924 k = 0.0764 0.4415 0.6415 ( 3564 PWs) bands (ev): -24.7764 -24.7764 -7.6736 -7.6736 -6.5914 -6.5914 -6.5111 -6.5111 1.0152 1.0152 2.5384 2.5384 4.3440 4.3440 4.4294 4.4294 4.6269 4.6269 4.7885 4.7885 4.8651 4.8651 4.9810 4.9810 5.1728 5.1728 5.2562 5.2562 5.4544 5.4544 5.5153 5.5153 6.4362 6.4362 7.4397 7.4397 8.9049 8.9049 10.1230 10.1230 10.4504 10.4504 11.7851 11.7851 13.4152 13.4152 14.1789 14.1789 k = 0.0833 0.4297 0.6551 ( 3564 PWs) bands (ev): -24.7763 -24.7763 -7.6741 -7.6741 -6.5904 -6.5904 -6.5140 -6.5140 1.0146 1.0146 2.5533 2.5533 4.3294 4.3294 4.4105 4.4105 4.6353 4.6353 4.7840 4.7840 4.8676 4.8676 4.9868 4.9868 5.1825 5.1825 5.2691 5.2691 5.4601 5.4601 5.5377 5.5377 6.4580 6.4580 7.4593 7.4593 8.8564 8.8564 10.0503 10.0503 10.3025 10.3025 11.8070 11.8070 13.4652 13.4652 14.2659 14.2659 k = 0.0903 0.4180 0.6688 ( 3564 PWs) bands (ev): -24.7761 -24.7761 -7.6747 -7.6747 -6.5893 -6.5893 -6.5169 -6.5169 1.0139 1.0139 2.5690 2.5690 4.3148 4.3148 4.3913 4.3913 4.6441 4.6441 4.7800 4.7800 4.8709 4.8709 4.9924 4.9924 5.1926 5.1926 5.2836 5.2836 5.4646 5.4646 5.5600 5.5600 6.4821 6.4821 7.4802 7.4802 8.8065 8.8065 9.9739 9.9739 10.1576 10.1576 11.8295 11.8295 13.5194 13.5194 14.3530 14.3530 k = 0.0972 0.4062 0.6824 ( 3568 PWs) bands (ev): -24.7759 -24.7759 -7.6752 -7.6752 -6.5881 -6.5881 -6.5200 -6.5200 1.0132 1.0132 2.5853 2.5853 4.3000 4.3000 4.3720 4.3720 4.6530 4.6530 4.7769 4.7769 4.8749 4.8749 4.9979 4.9979 5.2028 5.2028 5.2994 5.2994 5.4681 5.4681 5.5819 5.5819 6.5086 6.5086 7.5022 7.5022 8.7556 8.7556 9.8939 9.8939 10.0165 10.0165 11.8523 11.8523 13.5769 13.5769 14.4396 14.4396 k = 0.1042 0.3945 0.6961 ( 3572 PWs) bands (ev): -24.7758 -24.7758 -7.6758 -7.6758 -6.5870 -6.5870 -6.5231 -6.5231 1.0125 1.0125 2.6022 2.6022 4.2853 4.2853 4.3528 4.3528 4.6621 4.6621 4.7750 4.7750 4.8796 4.8796 5.0032 5.0032 5.2126 5.2126 5.3161 5.3161 5.4707 5.4707 5.6034 5.6034 6.5374 6.5374 7.5250 7.5250 8.7040 8.7040 9.8099 9.8099 9.8809 9.8809 11.8747 11.8747 13.6370 13.6370 14.5253 14.5253 k = 0.1111 0.3827 0.7097 ( 3572 PWs) bands (ev): -24.7756 -24.7756 -7.6765 -7.6765 -6.5858 -6.5858 -6.5262 -6.5262 1.0116 1.0116 2.6194 2.6194 4.2707 4.2707 4.3337 4.3337 4.6711 4.6711 4.7746 4.7746 4.8852 4.8852 5.0086 5.0086 5.2219 5.2219 5.3335 5.3335 5.4729 5.4729 5.6242 5.6242 6.5684 6.5684 7.5484 7.5484 8.6518 8.6518 9.7161 9.7161 9.7577 9.7577 11.8964 11.8964 13.6988 13.6988 14.5371 14.5371 k = 0.1181 0.3710 0.7233 ( 3568 PWs) bands (ev): -24.7754 -24.7754 -7.6771 -7.6771 -6.5847 -6.5847 -6.5293 -6.5293 1.0108 1.0108 2.6369 2.6369 4.2563 4.2563 4.3150 4.3150 4.6801 4.6801 4.7759 4.7759 4.8914 4.8914 5.0139 5.0139 5.2301 5.2301 5.3513 5.3513 5.4748 5.4748 5.6442 5.6442 6.6016 6.6016 7.5722 7.5722 8.5995 8.5995 9.6015 9.6015 9.6588 9.6588 11.9168 11.9168 13.7616 13.7616 14.4466 14.4466 k = 0.1250 0.3593 0.7370 ( 3576 PWs) bands (ev): -24.7752 -24.7752 -7.6778 -7.6778 -6.5836 -6.5836 -6.5324 -6.5324 1.0099 1.0099 2.6545 2.6545 4.2421 4.2421 4.2966 4.2966 4.6889 4.6889 4.7790 4.7790 4.8982 4.8982 5.0193 5.0193 5.2371 5.2371 5.3691 5.3691 5.4767 5.4767 5.6632 5.6632 6.6368 6.6368 7.5958 7.5958 8.5470 8.5470 9.4808 9.4808 9.5708 9.5708 11.9352 11.9352 13.8248 13.8248 14.3621 14.3621 k = 0.1319 0.3475 0.7506 ( 3582 PWs) bands (ev): -24.7751 -24.7751 -7.6784 -7.6784 -6.5826 -6.5826 -6.5354 -6.5354 1.0089 1.0089 2.6720 2.6720 4.2283 4.2283 4.2787 4.2787 4.6977 4.6977 4.7841 4.7841 4.9054 4.9054 5.0248 5.0248 5.2426 5.2426 5.3869 5.3869 5.4791 5.4791 5.6811 5.6811 6.6741 6.6741 7.6190 7.6190 8.4947 8.4947 9.3635 9.3635 9.4851 9.4851 11.9509 11.9509 13.8876 13.8876 14.2858 14.2858 k = 0.1389 0.3358 0.7643 ( 3574 PWs) bands (ev): -24.7749 -24.7749 -7.6791 -7.6791 -6.5816 -6.5816 -6.5382 -6.5382 1.0080 1.0080 2.6893 2.6893 4.2149 4.2149 4.2613 4.2613 4.7063 4.7063 4.7913 4.7913 4.9130 4.9130 5.0303 5.0303 5.2464 5.2464 5.4044 5.4044 5.4821 5.4821 5.6979 5.6979 6.7133 6.7133 7.6411 7.6411 8.4425 8.4425 9.2520 9.2520 9.4007 9.4007 11.9634 11.9634 13.9497 13.9497 14.2189 14.2189 k = 0.1458 0.3240 0.7779 ( 3580 PWs) bands (ev): -24.7747 -24.7747 -7.6798 -7.6798 -6.5808 -6.5808 -6.5409 -6.5409 1.0070 1.0070 2.7063 2.7063 4.2019 4.2019 4.2446 4.2446 4.7147 4.7147 4.8005 4.8005 4.9206 4.9206 5.0359 5.0359 5.2484 5.2484 5.4214 5.4214 5.4859 5.4859 5.7133 5.7133 6.7543 6.7543 7.6615 7.6615 8.3905 8.3905 9.1473 9.1473 9.3177 9.3177 11.9720 11.9720 14.0105 14.0105 14.1625 14.1625 k = 0.1528 0.3123 0.7916 ( 3580 PWs) bands (ev): -24.7745 -24.7745 -7.6805 -7.6805 -6.5800 -6.5800 -6.5435 -6.5435 1.0061 1.0061 2.7228 2.7228 4.1895 4.1895 4.2286 4.2286 4.7230 4.7230 4.8116 4.8116 4.9282 4.9282 5.0416 5.0416 5.2487 5.2487 5.4380 5.4380 5.4905 5.4905 5.7273 5.7273 6.7971 6.7971 7.6797 7.6797 8.3389 8.3389 9.0503 9.0503 9.2366 9.2366 11.9763 11.9763 14.0695 14.0695 14.1177 14.1177 k = 0.1597 0.3005 0.8052 ( 3588 PWs) bands (ev): -24.7744 -24.7744 -7.6811 -7.6811 -6.5795 -6.5795 -6.5458 -6.5458 1.0051 1.0051 2.7387 2.7387 4.1775 4.1775 4.2133 4.2133 4.7312 4.7312 4.8244 4.8244 4.9355 4.9355 5.0472 5.0472 5.2474 5.2474 5.4539 5.4539 5.4960 5.4960 5.7399 5.7399 6.8416 6.8416 7.6947 7.6947 8.2874 8.2874 8.9618 8.9618 9.1578 9.1578 11.9761 11.9761 14.0838 14.0838 14.1276 14.1276 k = 0.1667 0.2888 0.8189 ( 3594 PWs) bands (ev): -24.7742 -24.7742 -7.6818 -7.6818 -6.5791 -6.5791 -6.5478 -6.5478 1.0041 1.0041 2.7538 2.7538 4.1662 4.1662 4.1990 4.1990 4.7394 4.7394 4.8389 4.8389 4.9424 4.9424 5.0528 5.0528 5.2447 5.2447 5.4690 5.4690 5.5022 5.5022 5.7508 5.7508 6.8877 6.8877 7.7061 7.7061 8.2360 8.2360 8.8827 8.8827 9.0818 9.0818 11.9712 11.9712 14.0633 14.0633 14.1826 14.1826 k = 0.1736 0.2770 0.8325 ( 3594 PWs) bands (ev): -24.7741 -24.7741 -7.6824 -7.6824 -6.5789 -6.5789 -6.5495 -6.5495 1.0032 1.0032 2.7682 2.7682 4.1556 4.1556 4.1857 4.1857 4.7476 4.7476 4.8546 4.8546 4.9488 4.9488 5.0581 5.0581 5.2409 5.2409 5.4832 5.4832 5.5090 5.5090 5.7602 5.7602 6.9353 6.9353 7.7130 7.7130 8.1846 8.1846 8.8134 8.8134 9.0094 9.0094 11.9619 11.9619 14.0550 14.0550 14.2353 14.2353 k = 0.1806 0.2653 0.8462 ( 3592 PWs) bands (ev): -24.7739 -24.7739 -7.6830 -7.6830 -6.5789 -6.5789 -6.5509 -6.5509 1.0023 1.0023 2.7816 2.7816 4.1456 4.1456 4.1733 4.1733 4.7556 4.7556 4.8714 4.8714 4.9546 4.9546 5.0632 5.0632 5.2364 5.2364 5.4963 5.4963 5.5163 5.5163 5.7679 5.7679 6.9843 6.9843 7.7152 7.7152 8.1330 8.1330 8.7546 8.7546 8.9411 8.9411 11.9488 11.9488 14.0589 14.0589 14.2855 14.2855 k = 0.1875 0.2535 0.8598 ( 3592 PWs) bands (ev): -24.7738 -24.7738 -7.6835 -7.6835 -6.5791 -6.5791 -6.5521 -6.5521 1.0014 1.0014 2.7939 2.7939 4.1364 4.1364 4.1621 4.1621 4.7636 4.7636 4.8888 4.8888 4.9598 4.9598 5.0678 5.0678 5.2314 5.2314 5.5081 5.5081 5.5241 5.5241 5.7741 5.7741 7.0347 7.0347 7.7125 7.7125 8.0810 8.0810 8.7063 8.7063 8.8774 8.8774 11.9325 11.9325 14.0747 14.0747 14.3328 14.3328 k = 0.1944 0.2418 0.8735 ( 3594 PWs) bands (ev): -24.7737 -24.7737 -7.6840 -7.6840 -6.5795 -6.5795 -6.5529 -6.5529 1.0006 1.0006 2.8051 2.8051 4.1280 4.1280 4.1521 4.1521 4.7713 4.7713 4.9063 4.9063 4.9646 4.9646 5.0716 5.0716 5.2263 5.2263 5.5182 5.5182 5.5324 5.5324 5.7787 5.7787 7.0864 7.0864 7.7054 7.7054 8.0284 8.0284 8.6680 8.6680 8.8189 8.8189 11.9140 11.9140 14.1016 14.1016 14.3771 14.3771 k = 0.2014 0.2300 0.8871 ( 3596 PWs) bands (ev): -24.7736 -24.7736 -7.6845 -7.6845 -6.5799 -6.5799 -6.5535 -6.5535 0.9999 0.9999 2.8152 2.8152 4.1203 4.1203 4.1432 4.1432 4.7788 4.7788 4.9230 4.9230 4.9695 4.9695 5.0745 5.0745 5.2213 5.2213 5.5266 5.5266 5.5411 5.5411 5.7819 5.7819 7.1391 7.1391 7.6946 7.6946 7.9752 7.9752 8.6390 8.6390 8.7663 8.7663 11.8943 11.8943 14.1388 14.1388 14.4180 14.4180 k = 0.2083 0.2183 0.9008 ( 3594 PWs) bands (ev): -24.7735 -24.7735 -7.6849 -7.6849 -6.5805 -6.5805 -6.5539 -6.5539 0.9992 0.9992 2.8240 2.8240 4.1136 4.1136 4.1355 4.1355 4.7858 4.7858 4.9376 4.9376 4.9757 4.9757 5.0763 5.0763 5.2167 5.2167 5.5334 5.5334 5.5496 5.5496 5.7839 5.7839 7.1927 7.1927 7.6813 7.6813 7.9214 7.9214 8.6179 8.6179 8.7200 8.7200 11.8746 11.8746 14.1856 14.1856 14.4551 14.4551 k = 0.2153 0.2065 0.9144 ( 3596 PWs) bands (ev): -24.7734 -24.7734 -7.6853 -7.6853 -6.5810 -6.5810 -6.5541 -6.5541 0.9987 0.9987 2.8315 2.8315 4.1077 4.1077 4.1290 4.1290 4.7921 4.7921 4.9481 4.9481 4.9848 4.9848 5.0765 5.0765 5.2127 5.2127 5.5390 5.5390 5.5576 5.5576 5.7849 5.7849 7.2470 7.2470 7.6667 7.6667 7.8674 7.8674 8.6031 8.6031 8.6804 8.6804 11.8559 11.8559 14.2409 14.2409 14.4880 14.4880 k = 0.2222 0.1948 0.9281 ( 3594 PWs) bands (ev): -24.7733 -24.7733 -7.6856 -7.6856 -6.5815 -6.5815 -6.5543 -6.5543 0.9982 0.9982 2.8377 2.8377 4.1028 4.1028 4.1237 4.1237 4.7977 4.7977 4.9540 4.9540 4.9971 4.9971 5.0750 5.0750 5.2095 5.2095 5.5435 5.5435 5.5645 5.5645 5.7851 5.7851 7.3013 7.3013 7.6520 7.6520 7.8138 7.8138 8.5931 8.5931 8.6481 8.6481 11.8391 11.8391 14.3039 14.3039 14.5161 14.5161 k = 0.2292 0.1830 0.9417 ( 3598 PWs) bands (ev): -24.7733 -24.7733 -7.6858 -7.6858 -6.5820 -6.5820 -6.5544 -6.5544 0.9978 0.9978 2.8426 2.8426 4.0990 4.0990 4.1196 4.1196 4.8023 4.8023 4.9568 4.9568 5.0109 5.0109 5.0715 5.0715 5.2070 5.2070 5.5470 5.5470 5.5702 5.5702 5.7849 5.7849 7.3548 7.3548 7.6378 7.6378 7.7621 7.7621 8.5862 8.5862 8.6234 8.6234 11.8251 11.8251 14.3733 14.3733 14.5389 14.5389 k = 0.2361 0.1713 0.9554 ( 3592 PWs) bands (ev): -24.7732 -24.7732 -7.6860 -7.6860 -6.5823 -6.5823 -6.5544 -6.5544 0.9975 0.9975 2.8461 2.8461 4.0962 4.0962 4.1167 4.1167 4.8058 4.8058 4.9581 4.9581 5.0246 5.0246 5.0662 5.0662 5.2052 5.2052 5.5495 5.5495 5.5744 5.5744 5.7844 5.7844 7.4056 7.4056 7.6236 7.6236 7.7159 7.7159 8.5808 8.5808 8.6070 8.6070 11.8146 11.8146 14.4477 14.4477 14.5558 14.5558 k = 0.2431 0.1595 0.9690 ( 3584 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5825 -6.5825 -6.5544 -6.5544 0.9974 0.9974 2.8482 2.8482 4.0945 4.0945 4.1150 4.1150 4.8079 4.8079 4.9586 4.9586 5.0372 5.0372 5.0589 5.0589 5.2043 5.2043 5.5510 5.5510 5.5770 5.5770 5.7841 5.7841 7.4481 7.4481 7.6080 7.6080 7.6829 7.6829 8.5765 8.5765 8.5986 8.5986 11.8081 11.8081 14.5220 14.5220 14.5667 14.5667 k = 0.2500 0.1478 0.9827 ( 3584 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5826 -6.5826 -6.5544 -6.5544 0.9973 0.9973 2.8489 2.8489 4.0940 4.0940 4.1144 4.1144 4.8087 4.8087 4.9587 4.9587 5.0458 5.0458 5.0521 5.0521 5.2039 5.2039 5.5515 5.5515 5.5779 5.5779 5.7839 5.7839 7.4672 7.4672 7.5984 7.5984 7.6713 7.6713 8.5747 8.5747 8.5962 8.5962 11.8059 11.8059 14.5622 14.5622 14.5765 14.5765 k = 0.2500 0.1478 0.9827 ( 3584 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5826 -6.5826 -6.5544 -6.5544 0.9973 0.9973 2.8489 2.8489 4.0940 4.0940 4.1144 4.1144 4.8087 4.8087 4.9587 4.9587 5.0458 5.0458 5.0521 5.0521 5.2039 5.2039 5.5515 5.5515 5.5779 5.5779 5.7839 5.7839 7.4672 7.4672 7.5984 7.5984 7.6713 7.6713 8.5747 8.5747 8.5962 8.5962 11.8059 11.8059 14.5622 14.5622 14.5765 14.5765 k = 0.2639 0.1560 0.9731 ( 3593 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5826 -6.5826 -6.5544 -6.5544 0.9973 0.9973 2.8487 2.8487 4.0941 4.0941 4.1146 4.1146 4.8082 4.8082 4.9587 4.9587 5.0426 5.0426 5.0540 5.0540 5.2043 5.2043 5.5514 5.5514 5.5776 5.5776 5.7858 5.7858 7.4611 7.4611 7.5995 7.5995 7.6754 7.6754 8.5391 8.5391 8.6332 8.6332 11.8104 11.8104 14.4477 14.4477 14.6461 14.6461 k = 0.2778 0.1642 0.9636 ( 3597 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5825 -6.5825 -6.5544 -6.5544 0.9974 0.9974 2.8481 2.8481 4.0944 4.0944 4.1151 4.1151 4.8067 4.8067 4.9587 4.9587 5.0371 5.0371 5.0560 5.0560 5.2053 5.2053 5.5511 5.5511 5.5768 5.5768 5.7909 5.7909 7.4469 7.4469 7.5994 7.5994 7.6869 7.6869 8.4980 8.4980 8.6788 8.6788 11.8236 11.8236 14.3290 14.3290 14.6362 14.6362 k = 0.2917 0.1724 0.9541 ( 3599 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5824 -6.5824 -6.5544 -6.5544 0.9976 0.9976 2.8470 2.8470 4.0950 4.0950 4.1161 4.1161 4.8045 4.8045 4.9587 4.9587 5.0309 5.0309 5.0569 5.0569 5.2068 5.2068 5.5504 5.5504 5.5758 5.5758 5.7987 5.7987 7.4290 7.4290 7.5969 7.5969 7.7024 7.7024 8.4595 8.4595 8.7258 8.7258 11.8453 11.8453 14.2145 14.2145 14.6123 14.6123 k = 0.3056 0.1806 0.9445 ( 3599 PWs) bands (ev): -24.7732 -24.7732 -7.6860 -7.6860 -6.5823 -6.5823 -6.5544 -6.5544 0.9979 0.9979 2.8454 2.8454 4.0957 4.0957 4.1178 4.1178 4.8016 4.8016 4.9584 4.9584 5.0245 5.0245 5.0568 5.0568 5.2087 5.2087 5.5492 5.5492 5.5747 5.5747 5.8084 5.8084 7.4095 7.4095 7.5930 7.5930 7.7191 7.7191 8.4246 8.4246 8.7736 8.7736 11.8749 11.8749 14.1046 14.1046 14.5816 14.5816 k = 0.3194 0.1888 0.9350 ( 3599 PWs) bands (ev): -24.7732 -24.7732 -7.6859 -7.6859 -6.5821 -6.5821 -6.5544 -6.5544 0.9983 0.9983 2.8430 2.8430 4.0964 4.0964 4.1202 4.1202 4.7980 4.7980 4.9579 4.9579 5.0182 5.0182 5.0559 5.0559 5.2107 5.2107 5.5474 5.5474 5.5737 5.5737 5.8191 5.8191 7.3888 7.3888 7.5887 7.5887 7.7353 7.7353 8.3941 8.3941 8.8219 8.8219 11.9117 11.9117 13.9997 13.9997 14.5444 14.5444 k = 0.3333 0.1970 0.9254 ( 3597 PWs) bands (ev): -24.7733 -24.7733 -7.6858 -7.6858 -6.5819 -6.5819 -6.5544 -6.5544 0.9989 0.9989 2.8399 2.8399 4.0971 4.0971 4.1234 4.1234 4.7939 4.7939 4.9571 4.9571 5.0122 5.0122 5.0544 5.0544 5.2129 5.2129 5.5449 5.5449 5.5728 5.5728 5.8299 5.8299 7.3671 7.3671 7.5845 7.5845 7.7512 7.7512 8.3683 8.3683 8.8706 8.8706 11.9552 11.9552 13.9003 13.9003 14.4999 14.4999 k = 0.3472 0.2052 0.9159 ( 3596 PWs) bands (ev): -24.7733 -24.7733 -7.6857 -7.6857 -6.5817 -6.5817 -6.5544 -6.5544 0.9997 0.9997 2.8360 2.8360 4.0979 4.0979 4.1274 4.1274 4.7895 4.7895 4.9558 4.9558 5.0067 5.0067 5.0526 5.0526 5.2152 5.2152 5.5416 5.5416 5.5720 5.5720 5.8400 5.8400 7.3442 7.3442 7.5808 7.5808 7.7673 7.7673 8.3474 8.3474 8.9193 8.9193 12.0046 12.0046 13.8066 13.8066 14.4475 14.4475 k = 0.3611 0.2134 0.9064 ( 3597 PWs) bands (ev): -24.7733 -24.7733 -7.6856 -7.6856 -6.5814 -6.5814 -6.5545 -6.5545 1.0006 1.0006 2.8312 2.8312 4.0987 4.0987 4.1323 4.1323 4.7847 4.7847 4.9541 4.9541 5.0017 5.0017 5.0507 5.0507 5.2175 5.2175 5.5376 5.5376 5.5714 5.5714 5.8485 5.8485 7.3198 7.3198 7.5777 7.5777 7.7848 7.7848 8.3312 8.3312 8.9677 8.9677 12.0588 12.0588 13.7191 13.7191 14.3869 14.3869 k = 0.3750 0.2216 0.8968 ( 3592 PWs) bands (ev): -24.7733 -24.7733 -7.6855 -7.6855 -6.5811 -6.5811 -6.5545 -6.5545 1.0018 1.0018 2.8255 2.8255 4.0997 4.0997 4.1380 4.1380 4.7799 4.7799 4.9521 4.9521 4.9972 4.9972 5.0489 5.0489 5.2199 5.2199 5.5330 5.5330 5.5710 5.5710 5.8548 5.8548 7.2938 7.2938 7.5752 7.5752 7.8050 7.8050 8.3191 8.3191 9.0155 9.0155 12.1171 12.1171 13.6381 13.6381 14.3186 14.3186 k = 0.3889 0.2299 0.8873 ( 3592 PWs) bands (ev): -24.7734 -24.7734 -7.6853 -7.6853 -6.5808 -6.5808 -6.5545 -6.5545 1.0032 1.0032 2.8189 2.8189 4.1008 4.1008 4.1443 4.1443 4.7750 4.7750 4.9499 4.9499 4.9930 4.9930 5.0474 5.0474 5.2223 5.2223 5.5278 5.5278 5.5706 5.5706 5.8582 5.8582 7.2664 7.2664 7.5735 7.5735 7.8291 7.8291 8.3108 8.3108 9.0623 9.0623 12.1782 12.1782 13.5641 13.5641 14.2441 14.2441 k = 0.4028 0.2381 0.8778 ( 3588 PWs) bands (ev): -24.7734 -24.7734 -7.6851 -7.6851 -6.5804 -6.5804 -6.5545 -6.5545 1.0047 1.0047 2.8114 2.8114 4.1022 4.1022 4.1514 4.1514 4.7703 4.7703 4.9477 4.9477 4.9887 4.9887 5.0464 5.0464 5.2248 5.2248 5.5220 5.5220 5.5704 5.5704 5.8582 5.8582 7.2379 7.2379 7.5724 7.5724 7.8578 7.8578 8.3057 8.3057 9.1077 9.1077 12.2407 12.2407 13.4975 13.4975 14.1656 14.1656 k = 0.4167 0.2463 0.8682 ( 3583 PWs) bands (ev): -24.7735 -24.7735 -7.6850 -7.6850 -6.5800 -6.5800 -6.5545 -6.5545 1.0065 1.0065 2.8029 2.8029 4.1037 4.1037 4.1592 4.1592 4.7657 4.7657 4.9456 4.9456 4.9842 4.9842 5.0459 5.0459 5.2273 5.2273 5.5158 5.5158 5.5701 5.5701 5.8546 5.8546 7.2092 7.2092 7.5718 7.5718 7.8914 7.8914 8.3035 8.3035 9.1514 9.1514 12.3031 12.3031 13.4386 13.4386 14.0861 14.0861 k = 0.4306 0.2545 0.8587 ( 3583 PWs) bands (ev): -24.7735 -24.7735 -7.6848 -7.6848 -6.5795 -6.5795 -6.5546 -6.5546 1.0083 1.0083 2.7936 2.7936 4.1053 4.1053 4.1677 4.1677 4.7614 4.7614 4.9439 4.9439 4.9794 4.9794 5.0459 5.0459 5.2298 5.2298 5.5091 5.5091 5.5698 5.5698 5.8473 5.8473 7.1809 7.1809 7.5718 7.5718 7.9296 7.9296 8.3040 8.3040 9.1930 9.1930 12.3635 12.3635 13.3880 13.3880 14.0084 14.0084 k = 0.4444 0.2627 0.8492 ( 3583 PWs) bands (ev): -24.7736 -24.7736 -7.6845 -7.6845 -6.5790 -6.5790 -6.5546 -6.5546 1.0104 1.0104 2.7836 2.7836 4.1071 4.1071 4.1767 4.1767 4.7574 4.7574 4.9424 4.9424 4.9742 4.9742 5.0464 5.0464 5.2322 5.2322 5.5020 5.5020 5.5696 5.5696 5.8361 5.8361 7.1541 7.1541 7.5723 7.5723 7.9713 7.9713 8.3078 8.3078 9.2319 9.2319 12.4194 12.4194 13.3459 13.3459 13.9359 13.9359 k = 0.4583 0.2709 0.8396 ( 3583 PWs) bands (ev): -24.7736 -24.7736 -7.6843 -7.6843 -6.5785 -6.5785 -6.5547 -6.5547 1.0125 1.0125 2.7730 2.7730 4.1089 4.1089 4.1864 4.1864 4.7536 4.7536 4.9413 4.9413 4.9686 4.9686 5.0474 5.0474 5.2344 5.2344 5.4946 5.4946 5.5692 5.5692 5.8213 5.8213 7.1294 7.1294 7.5732 7.5732 8.0147 8.0147 8.3163 8.3163 9.2678 9.2678 12.4680 12.4680 13.3129 13.3129 13.8722 13.8722 k = 0.4722 0.2791 0.8301 ( 3579 PWs) bands (ev): -24.7737 -24.7737 -7.6841 -7.6841 -6.5779 -6.5779 -6.5547 -6.5547 1.0146 1.0146 2.7618 2.7618 4.1106 4.1106 4.1966 4.1966 4.7502 4.7502 4.9403 4.9403 4.9631 4.9631 5.0488 5.0488 5.2365 5.2365 5.4868 5.4868 5.5689 5.5689 5.8031 5.8031 7.1076 7.1076 7.5746 7.5746 8.0565 8.0565 8.3319 8.3319 9.3002 9.3002 12.5062 12.5062 13.2891 13.2891 13.8210 13.8210 k = 0.4861 0.2873 0.8206 ( 3577 PWs) bands (ev): -24.7737 -24.7737 -7.6838 -7.6838 -6.5773 -6.5773 -6.5548 -6.5548 1.0167 1.0167 2.7502 2.7502 4.1123 4.1123 4.2073 4.2073 4.7470 4.7470 4.9388 4.9388 4.9583 4.9583 5.0503 5.0503 5.2384 5.2384 5.4788 5.4788 5.5684 5.5684 5.7820 5.7820 7.0894 7.0894 7.5764 7.5764 8.0921 8.0921 8.3583 8.3583 9.3289 9.3289 12.5306 12.5306 13.2750 13.2750 13.7858 13.7858 k = 0.5000 0.2955 0.8110 ( 3576 PWs) bands (ev): -24.7738 -24.7738 -7.6835 -7.6835 -6.5766 -6.5766 -6.5548 -6.5548 1.0188 1.0188 2.7384 2.7384 4.1137 4.1137 4.2186 4.2186 4.7439 4.7439 4.9356 4.9356 4.9553 4.9553 5.0519 5.0519 5.2400 5.2400 5.4706 5.4706 5.5678 5.5678 5.7585 5.7585 7.0753 7.0753 7.5787 7.5787 8.1178 8.1178 8.3988 8.3988 9.3535 9.3535 12.5389 12.5389 13.2708 13.2708 13.7692 13.7692 k = 0.5000 0.2955 0.8110 ( 3576 PWs) bands (ev): -24.7738 -24.7738 -7.6835 -7.6835 -6.5766 -6.5766 -6.5548 -6.5548 1.0188 1.0188 2.7384 2.7384 4.1137 4.1137 4.2186 4.2186 4.7439 4.7439 4.9356 4.9356 4.9553 4.9553 5.0519 5.0519 5.2400 5.2400 5.4706 5.4706 5.5678 5.5678 5.7585 5.7585 7.0753 7.0753 7.5787 7.5787 8.1178 8.1178 8.3988 8.3988 9.3535 9.3535 12.5389 12.5389 13.2708 13.2708 13.7692 13.7692 k = 0.5000 0.2955 0.7917 ( 3580 PWs) bands (ev): -24.7739 -24.7739 -7.6829 -7.6829 -6.5752 -6.5752 -6.5549 -6.5549 1.0228 1.0228 2.7132 2.7132 4.1164 4.1164 4.2430 4.2430 4.7371 4.7371 4.9267 4.9267 4.9519 4.9519 5.0550 5.0550 5.2429 5.2429 5.4534 5.4534 5.5660 5.5660 5.7089 5.7089 7.0504 7.0504 7.5842 7.5842 8.1606 8.1606 8.4989 8.4989 9.4012 9.4012 12.5386 12.5386 13.2725 13.2725 13.7482 13.7482 k = 0.5000 0.2955 0.7724 ( 3576 PWs) bands (ev): -24.7741 -24.7741 -7.6822 -7.6822 -6.5736 -6.5736 -6.5550 -6.5550 1.0269 1.0269 2.6861 2.6861 4.1191 4.1191 4.2689 4.2689 4.7290 4.7290 4.9182 4.9182 4.9481 4.9481 5.0578 5.0578 5.2458 5.2458 5.4357 5.4357 5.5634 5.5634 5.6604 5.6604 7.0248 7.0248 7.5904 7.5904 8.2082 8.2082 8.6044 8.6044 9.4532 9.4532 12.5390 12.5390 13.2748 13.2748 13.7122 13.7122 k = 0.5000 0.2955 0.7531 ( 3582 PWs) bands (ev): -24.7742 -24.7742 -7.6815 -7.6815 -6.5720 -6.5720 -6.5550 -6.5550 1.0308 1.0308 2.6571 2.6571 4.1218 4.1218 4.2960 4.2960 4.7199 4.7199 4.9102 4.9102 4.9439 4.9439 5.0600 5.0600 5.2484 5.2484 5.4178 5.4178 5.5574 5.5574 5.6162 5.6162 6.9992 6.9992 7.5973 7.5973 8.2603 8.2603 8.7148 8.7148 9.5093 9.5093 12.5403 12.5403 13.2778 13.2778 13.6621 13.6621 k = 0.5000 0.2955 0.7338 ( 3586 PWs) bands (ev): -24.7744 -24.7744 -7.6807 -7.6807 -6.5701 -6.5701 -6.5551 -6.5551 1.0345 1.0345 2.6264 2.6264 4.1246 4.1246 4.3234 4.3234 4.7104 4.7104 4.9024 4.9024 4.9390 4.9390 5.0614 5.0614 5.2508 5.2508 5.3997 5.3997 5.5395 5.5395 5.5865 5.5865 6.9745 6.9745 7.6049 7.6049 8.3167 8.3167 8.8295 8.8295 9.5693 9.5693 12.5426 12.5426 13.2816 13.2816 13.6002 13.6002 k = 0.5000 0.2955 0.7145 ( 3586 PWs) bands (ev): -24.7746 -24.7746 -7.6798 -7.6798 -6.5682 -6.5682 -6.5551 -6.5551 1.0377 1.0377 2.5943 2.5943 4.1273 4.1273 4.3503 4.3503 4.7017 4.7017 4.8946 4.8946 4.9334 4.9334 5.0617 5.0617 5.2527 5.2527 5.3814 5.3814 5.5060 5.5060 5.5762 5.5762 6.9515 6.9515 7.6131 7.6131 8.3769 8.3769 8.9479 8.9479 9.6331 9.6331 12.5463 12.5463 13.2862 13.2862 13.5292 13.5292 k = 0.5000 0.2955 0.6952 ( 3588 PWs) bands (ev): -24.7748 -24.7748 -7.6789 -7.6789 -6.5661 -6.5661 -6.5550 -6.5550 1.0405 1.0405 2.5609 2.5609 4.1299 4.1299 4.3753 4.3753 4.6948 4.6948 4.8862 4.8862 4.9273 4.9273 5.0604 5.0604 5.2539 5.2539 5.3622 5.3622 5.4710 5.4710 5.5731 5.5731 6.9311 6.9311 7.6221 7.6221 8.4407 8.4407 9.0696 9.0696 9.7004 9.7004 12.5514 12.5514 13.2917 13.2917 13.4515 13.4515 k = 0.5000 0.2955 0.6758 ( 3584 PWs) bands (ev): -24.7750 -24.7750 -7.6779 -7.6779 -6.5640 -6.5640 -6.5549 -6.5549 1.0426 1.0426 2.5263 2.5263 4.1325 4.1325 4.3966 4.3966 4.6917 4.6917 4.8767 4.8767 4.9207 4.9207 5.0574 5.0574 5.2545 5.2545 5.3412 5.3412 5.4416 5.4416 5.5722 5.5722 6.9140 6.9140 7.6319 7.6319 8.5076 8.5076 9.1941 9.1941 9.7711 9.7711 12.5583 12.5583 13.2981 13.2981 13.3696 13.3696 k = 0.5000 0.2955 0.6565 ( 3580 PWs) bands (ev): -24.7752 -24.7752 -7.6769 -7.6769 -6.5620 -6.5620 -6.5546 -6.5546 1.0440 1.0440 2.4908 2.4908 4.1349 4.1349 4.4121 4.4121 4.6937 4.6937 4.8654 4.8654 4.9142 4.9142 5.0524 5.0524 5.2545 5.2545 5.3183 5.3183 5.4203 5.4203 5.5724 5.5724 6.9011 6.9011 7.6424 7.6424 8.5773 8.5773 9.3211 9.3211 9.8450 9.8450 12.5672 12.5672 13.2821 13.2821 13.3086 13.3086 k = 0.5000 0.2955 0.6372 ( 3576 PWs) bands (ev): -24.7754 -24.7754 -7.6758 -7.6758 -6.5600 -6.5600 -6.5540 -6.5540 1.0445 1.0445 2.4544 2.4544 4.1372 4.1372 4.4203 4.4203 4.7018 4.7018 4.8516 4.8516 4.9081 4.9081 5.0452 5.0452 5.2538 5.2538 5.2948 5.2948 5.4068 5.4068 5.5734 5.5734 6.8929 6.8929 7.6538 7.6538 8.6495 8.6495 9.4502 9.4502 9.9220 9.9220 12.5782 12.5782 13.1976 13.1976 13.3163 13.3163 k = 0.5000 0.2955 0.6179 ( 3584 PWs) bands (ev): -24.7756 -24.7756 -7.6747 -7.6747 -6.5586 -6.5586 -6.5528 -6.5528 1.0441 1.0441 2.4174 2.4174 4.1393 4.1393 4.4208 4.4208 4.7153 4.7153 4.8350 4.8350 4.9028 4.9028 5.0366 5.0366 5.2525 5.2525 5.2731 5.2731 5.3992 5.3992 5.5752 5.5752 6.8900 6.8900 7.6660 7.6660 8.7238 8.7238 9.5809 9.5809 10.0019 10.0019 12.5918 12.5918 13.1117 13.1117 13.3268 13.3268 k = 0.5000 0.2955 0.5986 ( 3582 PWs) bands (ev): -24.7759 -24.7759 -7.6735 -7.6735 -6.5577 -6.5577 -6.5509 -6.5509 1.0427 1.0427 2.3800 2.3800 4.1412 4.1412 4.4145 4.4145 4.7315 4.7315 4.8158 4.8158 4.8980 4.8980 5.0284 5.0284 5.2500 5.2500 5.2558 5.2558 5.3960 5.3960 5.5779 5.5779 6.8929 6.8929 7.6791 7.6791 8.7998 8.7998 9.7128 9.7128 10.0845 10.0845 12.6081 12.6081 13.0268 13.0268 13.3388 13.3388 k = 0.5000 0.2955 0.5793 ( 3576 PWs) bands (ev): -24.7761 -24.7761 -7.6723 -7.6723 -6.5571 -6.5571 -6.5484 -6.5484 1.0401 1.0401 2.3421 2.3421 4.1431 4.1431 4.4027 4.4027 4.7459 4.7459 4.7953 4.7953 4.8923 4.8923 5.0241 5.0241 5.2391 5.2391 5.2509 5.2509 5.3961 5.3961 5.5816 5.5816 6.9019 6.9019 7.6932 7.6932 8.8770 8.8770 9.8456 9.8456 10.1698 10.1698 12.6274 12.6274 12.9439 12.9439 13.3525 13.3525 k = 0.5000 0.2955 0.5600 ( 3576 PWs) bands (ev): -24.7764 -24.7764 -7.6710 -7.6710 -6.5568 -6.5568 -6.5457 -6.5457 1.0363 1.0363 2.3041 2.3041 4.1448 4.1448 4.3870 4.3870 4.7494 4.7494 4.7796 4.7796 4.8836 4.8836 5.0281 5.0281 5.2286 5.2286 5.2494 5.2494 5.3987 5.3987 5.5864 5.5864 6.9172 6.9172 7.7083 7.7083 8.9552 8.9552 9.9788 9.9788 10.2576 10.2576 12.6500 12.6500 12.8637 12.8637 13.3679 13.3679 k = 0.5000 0.2955 0.5407 ( 3572 PWs) bands (ev): -24.7766 -24.7766 -7.6697 -7.6697 -6.5566 -6.5566 -6.5427 -6.5427 1.0314 1.0314 2.2661 2.2661 4.1462 4.1462 4.3684 4.3684 4.7319 4.7319 4.7775 4.7775 4.8703 4.8703 5.0432 5.0432 5.2213 5.2213 5.2485 5.2485 5.4033 5.4033 5.5924 5.5924 6.9390 6.9390 7.7245 7.7245 9.0337 9.0337 10.1118 10.1118 10.3478 10.3478 12.6761 12.6761 12.7873 12.7873 13.3850 13.3850 k = 0.5000 0.2955 0.5214 ( 3574 PWs) bands (ev): -24.7769 -24.7769 -7.6684 -7.6684 -6.5564 -6.5564 -6.5396 -6.5396 1.0252 1.0252 2.2282 2.2282 4.1475 4.1475 4.3478 4.3478 4.7055 4.7055 4.7768 4.7768 4.8532 4.8532 5.0679 5.0679 5.2166 5.2166 5.2484 5.2484 5.4097 5.4097 5.5999 5.5999 6.9671 6.9671 7.7419 7.7419 9.1123 9.1123 10.2442 10.2442 10.4403 10.4403 12.7000 12.7000 12.7213 12.7213 13.4039 13.4039 k = 0.5000 0.2955 0.5021 ( 3578 PWs) bands (ev): -24.7771 -24.7771 -7.6671 -7.6671 -6.5562 -6.5562 -6.5364 -6.5364 1.0179 1.0179 2.1904 2.1904 4.1485 4.1485 4.3258 4.3258 4.6765 4.6765 4.7719 4.7719 4.8348 4.8348 5.0984 5.0984 5.2141 5.2141 5.2497 5.2497 5.4180 5.4180 5.6090 5.6090 7.0014 7.0014 7.7605 7.7605 9.1902 9.1902 10.3754 10.3754 10.5349 10.5349 12.6444 12.6444 12.7439 12.7439 13.4246 13.4246 k = 0.5000 0.2955 0.4827 ( 3584 PWs) bands (ev): -24.7774 -24.7774 -7.6657 -7.6657 -6.5560 -6.5560 -6.5331 -6.5331 1.0093 1.0093 2.1531 2.1531 4.1491 4.1491 4.3029 4.3029 4.6465 4.6465 4.7616 4.7616 4.8177 4.8177 5.1301 5.1301 5.2134 5.2134 5.2535 5.2535 5.4285 5.4285 5.6199 5.6199 7.0419 7.0419 7.7804 7.7804 9.2671 9.2671 10.5048 10.5048 10.6316 10.6316 12.5824 12.5824 12.7834 12.7834 13.4454 13.4454 k = 0.5000 0.2955 0.4634 ( 3578 PWs) bands (ev): -24.7776 -24.7776 -7.6644 -7.6644 -6.5558 -6.5558 -6.5297 -6.5297 0.9996 0.9996 2.1162 2.1162 4.1492 4.1492 4.2796 4.2796 4.6160 4.6160 4.7459 4.7459 4.8038 4.8038 5.1580 5.1580 5.2146 5.2146 5.2615 5.2615 5.4418 5.4418 5.6331 5.6331 7.0881 7.0881 7.8017 7.8017 9.3422 9.3422 10.6318 10.6318 10.7303 10.7303 12.5262 12.5262 12.8284 12.8284 13.3506 13.3506 k = 0.5000 0.2955 0.4441 ( 3570 PWs) bands (ev): -24.7779 -24.7779 -7.6630 -7.6630 -6.5556 -6.5556 -6.5263 -6.5263 0.9888 0.9888 2.0799 2.0799 4.1484 4.1484 4.2565 4.2565 4.5856 4.5856 4.7260 4.7260 4.7929 4.7929 5.1780 5.1780 5.2172 5.2172 5.2752 5.2752 5.4587 5.4587 5.6487 5.6487 7.1399 7.1399 7.8245 7.8245 9.4149 9.4149 10.7557 10.7557 10.8310 10.8310 12.4767 12.4767 12.8790 12.8790 13.1931 13.1931 k = 0.5000 0.2955 0.4248 ( 3570 PWs) bands (ev): -24.7781 -24.7781 -7.6616 -7.6616 -6.5554 -6.5554 -6.5229 -6.5229 0.9770 0.9770 2.0444 2.0444 4.1463 4.1463 4.2343 4.2343 4.5556 4.5556 4.7040 4.7040 4.7839 4.7839 5.1897 5.1897 5.2207 5.2207 5.2931 5.2931 5.4798 5.4798 5.6673 5.6673 7.1968 7.1968 7.8489 7.8489 9.4846 9.4846 10.8759 10.8759 10.9335 10.9335 12.4348 12.4348 12.9352 12.9352 13.0364 13.0364 k = 0.5000 0.2955 0.4055 ( 3570 PWs) bands (ev): -24.7784 -24.7784 -7.6603 -7.6603 -6.5552 -6.5552 -6.5194 -6.5194 0.9643 0.9643 2.0097 2.0097 4.1415 4.1415 4.2145 4.2145 4.5261 4.5261 4.6812 4.6812 4.7757 4.7757 5.1964 5.1964 5.2245 5.2245 5.3110 5.3110 5.5050 5.5050 5.6895 5.6895 7.2584 7.2584 7.8750 7.8750 9.5504 9.5504 10.9919 10.9919 11.0377 11.0377 12.4012 12.4012 12.8808 12.8808 12.9980 12.9980 k = 0.5000 0.2955 0.3862 ( 3560 PWs) bands (ev): -24.7786 -24.7786 -7.6589 -7.6589 -6.5549 -6.5549 -6.5159 -6.5159 0.9508 0.9508 1.9758 1.9758 4.1324 4.1324 4.1988 4.1988 4.4975 4.4975 4.6585 4.6585 4.7680 4.7680 5.2011 5.2011 5.2282 5.2282 5.3263 5.3263 5.5330 5.5330 5.7160 5.7160 7.3245 7.3245 7.9029 7.9029 9.6118 9.6118 11.1036 11.1036 11.1430 11.1430 12.3764 12.3764 12.7278 12.7278 13.0657 13.0657 k = 0.5000 0.2955 0.3669 ( 3548 PWs) bands (ev): -24.7789 -24.7789 -7.6576 -7.6576 -6.5547 -6.5547 -6.5125 -6.5125 0.9367 0.9367 1.9431 1.9431 4.1180 4.1180 4.1886 4.1886 4.4699 4.4699 4.6363 4.6363 4.7605 4.7605 5.2050 5.2050 5.2320 5.2320 5.3381 5.3381 5.5617 5.5617 5.7473 5.7473 7.3944 7.3944 7.9327 7.9327 9.6681 9.6681 11.2115 11.2115 11.2485 11.2485 12.3608 12.3608 12.5773 12.5773 13.1386 13.1386 k = 0.5000 0.2955 0.3476 ( 3550 PWs) bands (ev): -24.7791 -24.7791 -7.6562 -7.6562 -6.5544 -6.5544 -6.5090 -6.5090 0.9220 0.9220 1.9114 1.9114 4.0991 4.0991 4.1830 4.1830 4.4434 4.4434 4.6150 4.6150 4.7530 4.7530 5.2089 5.2089 5.2360 5.2360 5.3469 5.3469 5.5891 5.5891 5.7835 5.7835 7.4679 7.4679 7.9645 7.9645 9.7185 9.7185 11.3155 11.3155 11.3536 11.3536 12.3524 12.3524 12.4320 12.4320 13.2152 13.2152 k = 0.5000 0.2955 0.3283 ( 3552 PWs) bands (ev): -24.7793 -24.7793 -7.6550 -7.6550 -6.5541 -6.5541 -6.5057 -6.5057 0.9069 0.9069 1.8810 1.8810 4.0780 4.0780 4.1800 4.1800 4.4181 4.4181 4.5948 4.5948 4.7456 4.7456 5.2129 5.2129 5.2402 5.2402 5.3534 5.3534 5.6143 5.6143 5.8239 5.8239 7.5444 7.5444 7.9983 7.9983 9.7628 9.7628 11.4150 11.4150 11.4587 11.4587 12.2761 12.2761 12.3676 12.3676 13.2935 13.2935 k = 0.5000 0.2955 0.3090 ( 3564 PWs) bands (ev): -24.7795 -24.7795 -7.6537 -7.6537 -6.5539 -6.5539 -6.5023 -6.5023 0.8917 0.8917 1.8518 1.8518 4.0559 4.0559 4.1784 4.1784 4.3940 4.3940 4.5757 4.5757 4.7381 4.7381 5.2171 5.2171 5.2447 5.2447 5.3581 5.3581 5.6370 5.6370 5.8674 5.8674 7.6234 7.6234 8.0342 8.0342 9.8005 9.8005 11.5094 11.5094 11.5644 11.5644 12.1361 12.1361 12.3801 12.3801 13.3695 13.3695 k = 0.5000 0.2955 0.2896 ( 3560 PWs) bands (ev): -24.7797 -24.7797 -7.6525 -7.6525 -6.5536 -6.5536 -6.4991 -6.4991 0.8763 0.8763 1.8240 1.8240 4.0339 4.0339 4.1775 4.1775 4.3713 4.3713 4.5580 4.5580 4.7307 4.7307 5.2216 5.2216 5.2494 5.2494 5.3615 5.3615 5.6576 5.6576 5.9127 5.9127 7.7044 7.7044 8.0722 8.0722 9.8315 9.8315 11.5980 11.5980 11.6708 11.6708 11.9974 11.9974 12.4046 12.4046 13.4373 13.4373 k = 0.5000 0.2955 0.2703 ( 3558 PWs) bands (ev): -24.7799 -24.7799 -7.6513 -7.6513 -6.5533 -6.5533 -6.4960 -6.4960 0.8611 0.8611 1.7976 1.7976 4.0122 4.0122 4.1770 4.1770 4.3500 4.3500 4.5417 4.5417 4.7232 4.7232 5.2261 5.2261 5.2546 5.2546 5.3640 5.3640 5.6763 5.6763 5.9586 5.9586 7.7868 7.7868 8.1122 8.1122 9.8560 9.8560 11.6801 11.6801 11.7774 11.7774 11.8637 11.8637 12.4382 12.4382 13.4878 13.4878 k = 0.5000 0.2955 0.2510 ( 3554 PWs) bands (ev): -24.7801 -24.7801 -7.6502 -7.6502 -6.5530 -6.5530 -6.4930 -6.4930 0.8460 0.8460 1.7728 1.7728 3.9913 3.9913 4.1765 4.1765 4.3301 4.3301 4.5269 4.5269 4.7158 4.7158 5.2306 5.2306 5.2602 5.2602 5.3657 5.3657 5.6934 5.6934 6.0041 6.0041 7.8701 7.8701 8.1542 8.1542 9.8743 9.8743 11.7115 11.7115 11.7798 11.7798 11.8842 11.8842 12.4790 12.4790 13.5117 13.5117 k = 0.5000 0.2955 0.2317 ( 3546 PWs) bands (ev): -24.7803 -24.7803 -7.6492 -7.6492 -6.5528 -6.5528 -6.4901 -6.4901 0.8314 0.8314 1.7496 1.7496 3.9714 3.9714 4.1761 4.1761 4.3117 4.3117 4.5136 4.5136 4.7085 4.7085 5.2350 5.2350 5.2661 5.2661 5.3668 5.3668 5.7092 5.7092 6.0483 6.0483 7.9534 7.9534 8.1979 8.1979 9.8867 9.8867 11.5952 11.5952 11.8445 11.8445 11.9899 11.9899 12.5244 12.5244 13.5047 13.5047 k = 0.5000 0.2955 0.2124 ( 3538 PWs) bands (ev): -24.7805 -24.7805 -7.6482 -7.6482 -6.5525 -6.5525 -6.4874 -6.4874 0.8174 0.8174 1.7280 1.7280 3.9526 3.9526 4.1757 4.1757 4.2947 4.2947 4.5018 4.5018 4.7013 4.7013 5.2392 5.2392 5.2723 5.2723 5.3674 5.3674 5.7237 5.7237 6.0905 6.0905 8.0361 8.0361 8.2431 8.2431 9.8940 9.8940 11.4732 11.4732 11.9163 11.9163 12.0944 12.0944 12.5706 12.5706 13.4712 13.4712 k = 0.5000 0.2955 0.1931 ( 3536 PWs) bands (ev): -24.7806 -24.7806 -7.6472 -7.6472 -6.5522 -6.5522 -6.4849 -6.4849 0.8040 0.8040 1.7081 1.7081 3.9351 3.9351 4.1752 4.1752 4.2791 4.2791 4.4914 4.4914 4.6943 4.6943 5.2431 5.2431 5.2787 5.2787 5.3677 5.3677 5.7368 5.7368 6.1303 6.1303 8.1173 8.1173 8.2894 8.2894 9.8968 9.8968 11.3558 11.3558 11.9864 11.9864 12.1968 12.1968 12.6122 12.6122 13.4204 13.4204 k = 0.5000 0.2955 0.1738 ( 3548 PWs) bands (ev): -24.7808 -24.7808 -7.6464 -7.6464 -6.5520 -6.5520 -6.4825 -6.4825 0.7914 0.7914 1.6899 1.6899 3.9189 3.9189 4.1745 4.1745 4.2649 4.2649 4.4824 4.4824 4.6875 4.6875 5.2465 5.2465 5.2853 5.2853 5.3676 5.3676 5.7489 5.7489 6.1671 6.1671 8.1961 8.1961 8.3364 8.3364 9.8959 9.8959 11.2441 11.2441 12.0545 12.0545 12.2961 12.2961 12.6428 12.6428 13.3599 13.3599 k = 0.5000 0.2955 0.1545 ( 3548 PWs) bands (ev): -24.7809 -24.7809 -7.6456 -7.6456 -6.5518 -6.5518 -6.4804 -6.4804 0.7799 0.7799 1.6735 1.6735 3.9043 3.9043 4.1738 4.1738 4.2522 4.2522 4.4749 4.4749 4.6810 4.6810 5.2497 5.2497 5.2918 5.2918 5.3673 5.3673 5.7598 5.7598 6.2007 6.2007 8.2714 8.2714 8.3833 8.3833 9.8920 9.8920 11.1392 11.1392 12.1209 12.1209 12.3912 12.3912 12.6567 12.6567 13.2938 13.2938 k = 0.5000 0.2955 0.1352 ( 3544 PWs) bands (ev): -24.7810 -24.7810 -7.6449 -7.6449 -6.5516 -6.5516 -6.4785 -6.4785 0.7693 0.7693 1.6590 1.6590 3.8912 3.8912 4.1732 4.1732 4.2409 4.2409 4.4686 4.4686 4.6751 4.6751 5.2525 5.2525 5.2981 5.2981 5.3667 5.3667 5.7695 5.7695 6.2308 6.2308 8.3420 8.3420 8.4295 8.4295 9.8859 9.8859 11.0421 11.0421 12.1858 12.1858 12.4796 12.4796 12.6530 12.6530 13.2249 13.2249 k = 0.5000 0.2955 0.1159 ( 3554 PWs) bands (ev): -24.7811 -24.7811 -7.6443 -7.6443 -6.5514 -6.5514 -6.4768 -6.4768 0.7600 0.7600 1.6463 1.6463 3.8798 3.8798 4.1724 4.1724 4.2310 4.2310 4.4635 4.4635 4.6696 4.6696 5.2548 5.2548 5.3041 5.3041 5.3660 5.3660 5.7779 5.7779 6.2572 6.2572 8.4065 8.4065 8.4740 8.4740 9.8784 9.8784 10.9539 10.9539 12.2492 12.2492 12.5535 12.5535 12.6416 12.6416 13.1550 13.1550 k = 0.5000 0.2955 0.0965 ( 3558 PWs) bands (ev): -24.7812 -24.7812 -7.6438 -7.6438 -6.5512 -6.5512 -6.4753 -6.4753 0.7520 0.7520 1.6355 1.6355 3.8700 3.8700 4.1718 4.1718 4.2226 4.2226 4.4595 4.4595 4.6648 4.6648 5.2569 5.2569 5.3097 5.3097 5.3651 5.3651 5.7851 5.7851 6.2797 6.2797 8.4634 8.4634 8.5160 8.5160 9.8703 9.8703 10.8758 10.8758 12.3110 12.3110 12.5739 12.5739 12.6666 12.6666 13.0860 13.0860 k = 0.5000 0.2955 0.0772 ( 3554 PWs) bands (ev): -24.7813 -24.7813 -7.6434 -7.6434 -6.5511 -6.5511 -6.4741 -6.4741 0.7453 0.7453 1.6267 1.6267 3.8619 3.8619 4.1713 4.1713 4.2156 4.2156 4.4565 4.4565 4.6607 4.6607 5.2585 5.2585 5.3146 5.3146 5.3641 5.3641 5.7911 5.7911 6.2983 6.2983 8.5112 8.5112 8.5543 8.5543 9.8623 9.8623 10.8092 10.8092 12.3706 12.3706 12.5500 12.5500 12.7239 12.7239 13.0194 13.0194 k = 0.5000 0.2955 0.0579 ( 3564 PWs) bands (ev): -24.7813 -24.7813 -7.6431 -7.6431 -6.5510 -6.5510 -6.4731 -6.4731 0.7400 0.7400 1.6197 1.6197 3.8556 3.8556 4.1709 4.1709 4.2101 4.2101 4.4542 4.4542 4.6574 4.6574 5.2598 5.2598 5.3187 5.3187 5.3632 5.3632 5.7957 5.7957 6.3129 6.3129 8.5488 8.5488 8.5873 8.5873 9.8551 9.8551 10.7554 10.7554 12.4262 12.4262 12.5227 12.5227 12.7759 12.7759 12.9574 12.9574 k = 0.5000 0.2955 0.0386 ( 3572 PWs) bands (ev): -24.7814 -24.7814 -7.6428 -7.6428 -6.5509 -6.5509 -6.4725 -6.4725 0.7362 0.7362 1.6148 1.6148 3.8510 3.8510 4.1707 4.1707 4.2061 4.2061 4.4526 4.4526 4.6549 4.6549 5.2607 5.2607 5.3218 5.3218 5.3623 5.3623 5.7991 5.7991 6.3232 6.3232 8.5757 8.5757 8.6130 8.6130 9.8494 9.8494 10.7158 10.7158 12.4711 12.4711 12.5047 12.5047 12.8148 12.8148 12.9039 12.9039 k = 0.5000 0.2955 0.0193 ( 3574 PWs) bands (ev): -24.7814 -24.7814 -7.6427 -7.6427 -6.5509 -6.5509 -6.4720 -6.4720 0.7339 0.7339 1.6118 1.6118 3.8483 3.8483 4.1705 4.1705 4.2037 4.2037 4.4518 4.4518 4.6535 4.6535 5.2612 5.2612 5.3238 5.3238 5.3617 5.3617 5.8011 5.8011 6.3295 6.3295 8.5919 8.5919 8.6293 8.6293 9.8458 9.8458 10.6916 10.6916 12.4775 12.4775 12.5207 12.5207 12.8347 12.8347 12.8688 12.8688 k = 0.5000 0.2955-0.0000 ( 3574 PWs) bands (ev): -24.7814 -24.7814 -7.6426 -7.6426 -6.5509 -6.5509 -6.4719 -6.4719 0.7331 0.7331 1.6108 1.6108 3.8474 3.8474 4.1705 4.1705 4.2029 4.2029 4.4515 4.4515 4.6530 4.6530 5.2614 5.2614 5.3245 5.3245 5.3615 5.3615 5.8017 5.8017 6.3316 6.3316 8.5973 8.5973 8.6349 8.6349 9.8445 9.8445 10.6834 10.6834 12.4739 12.4739 12.5337 12.5337 12.8339 12.8339 12.8625 12.8625 k = 0.0000 0.0000 0.9827 ( 3600 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5829 -6.5829 -6.5541 -6.5541 0.9971 0.9971 2.8519 2.8519 4.1022 4.1022 4.1067 4.1067 4.7599 4.7599 4.9632 4.9632 5.0019 5.0019 5.0303 5.0303 5.2246 5.2246 5.5556 5.5556 5.5746 5.5746 6.0435 6.0435 7.1896 7.1896 7.5584 7.5584 7.9025 7.9025 7.9531 7.9531 9.1414 9.1414 12.5480 12.5480 13.2653 13.2653 13.6817 13.6817 k = 0.0167 0.0099 0.9827 ( 3598 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5829 -6.5829 -6.5541 -6.5541 0.9971 0.9971 2.8519 2.8519 4.1019 4.1019 4.1070 4.1070 4.7604 4.7604 4.9632 4.9632 5.0021 5.0021 5.0306 5.0306 5.2245 5.2245 5.5555 5.5555 5.5747 5.5747 6.0404 6.0404 7.1930 7.1930 7.5586 7.5586 7.8891 7.8891 7.9684 7.9684 9.1379 9.1379 12.5340 12.5340 13.2722 13.2722 13.6990 13.6990 k = 0.0333 0.0197 0.9827 ( 3594 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5829 -6.5829 -6.5541 -6.5541 0.9971 0.9971 2.8518 2.8518 4.1014 4.1014 4.1075 4.1075 4.7621 4.7621 4.9633 4.9633 5.0027 5.0027 5.0312 5.0312 5.2242 5.2242 5.5555 5.5555 5.5747 5.5747 6.0310 6.0310 7.2032 7.2032 7.5594 7.5594 7.8653 7.8653 7.9977 7.9977 9.1275 9.1275 12.4948 12.4948 13.2927 13.2927 13.7480 13.7480 k = 0.0500 0.0296 0.9827 ( 3594 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5829 -6.5829 -6.5541 -6.5541 0.9971 0.9971 2.8517 2.8517 4.1006 4.1006 4.1082 4.1082 4.7648 4.7648 4.9633 4.9633 5.0038 5.0038 5.0322 5.0322 5.2236 5.2236 5.5553 5.5553 5.5748 5.5748 6.0161 6.0161 7.2194 7.2194 7.5606 7.5606 7.8409 7.8409 8.0314 8.0314 9.1104 9.1104 12.4367 12.4367 13.3268 13.3268 13.8221 13.8221 k = 0.0667 0.0394 0.9827 ( 3590 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5829 -6.5829 -6.5541 -6.5541 0.9971 0.9971 2.8515 2.8515 4.0998 4.0998 4.1090 4.1090 4.7683 4.7683 4.9632 4.9632 5.0054 5.0054 5.0335 5.0335 5.2228 5.2228 5.5551 5.5551 5.5750 5.5750 5.9966 5.9966 7.2407 7.2407 7.5623 7.5623 7.8175 7.8175 8.0678 8.0678 9.0871 9.0871 12.3667 12.3667 13.3739 13.3739 13.9137 13.9137 k = 0.0833 0.0493 0.9827 ( 3590 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5828 -6.5828 -6.5541 -6.5541 0.9972 0.9972 2.8512 2.8512 4.0990 4.0990 4.1098 4.1098 4.7726 4.7726 4.9630 4.9630 5.0079 5.0079 5.0350 5.0350 5.2216 5.2216 5.5548 5.5548 5.5752 5.5752 5.9736 5.9736 7.2657 7.2657 7.5646 7.5646 7.7955 7.7955 8.1065 8.1065 9.0580 9.0580 12.2908 12.2908 13.4335 13.4335 14.0160 14.0160 k = 0.1000 0.0591 0.9827 ( 3594 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5828 -6.5828 -6.5542 -6.5542 0.9972 0.9972 2.8509 2.8509 4.0981 4.0981 4.1105 4.1105 4.7774 4.7774 4.9627 4.9627 5.0111 5.0111 5.0366 5.0366 5.2202 5.2202 5.5544 5.5544 5.5754 5.5754 5.9481 5.9481 7.2934 7.2934 7.5673 7.5673 7.7750 7.7750 8.1471 8.1471 9.0237 9.0237 12.2134 12.2134 13.5051 13.5051 14.1234 14.1234 k = 0.1167 0.0690 0.9827 ( 3588 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5828 -6.5828 -6.5542 -6.5542 0.9972 0.9972 2.8506 2.8506 4.0974 4.0974 4.1113 4.1113 4.7825 4.7825 4.9623 4.9623 5.0153 5.0153 5.0383 5.0383 5.2186 5.2186 5.5541 5.5541 5.5757 5.5757 5.9215 5.9215 7.3222 7.3222 7.5705 7.5705 7.7560 7.7560 8.1898 8.1898 8.9848 8.9848 12.1379 12.1379 13.5879 13.5879 14.2308 14.2308 k = 0.1333 0.0788 0.9827 ( 3602 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5828 -6.5828 -6.5542 -6.5542 0.9972 0.9972 2.8503 2.8503 4.0966 4.0966 4.1119 4.1119 4.7876 4.7876 4.9617 4.9617 5.0202 5.0202 5.0398 5.0398 5.2166 5.2166 5.5536 5.5536 5.5759 5.5759 5.8947 5.8947 7.3509 7.3509 7.5741 7.5741 7.7386 7.7386 8.2343 8.2343 8.9421 8.9421 12.0667 12.0667 13.6812 13.6812 14.3338 14.3338 k = 0.1500 0.0887 0.9827 ( 3602 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5827 -6.5827 -6.5543 -6.5543 0.9972 0.9972 2.8500 2.8500 4.0960 4.0960 4.1125 4.1125 4.7925 4.7925 4.9611 4.9611 5.0258 5.0258 5.0414 5.0414 5.2144 5.2144 5.5532 5.5532 5.5763 5.5763 5.8690 5.8690 7.3784 7.3784 7.5781 7.5781 7.7229 7.7229 8.2805 8.2805 8.8961 8.8961 12.0017 12.0017 13.7843 13.7843 14.4279 14.4279 k = 0.1667 0.0985 0.9827 ( 3600 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5827 -6.5827 -6.5543 -6.5543 0.9972 0.9972 2.8497 2.8497 4.0954 4.0954 4.1130 4.1130 4.7971 4.7971 4.9604 4.9604 5.0317 5.0317 5.0428 5.0428 5.2121 5.2121 5.5527 5.5527 5.5767 5.5767 5.8453 5.8453 7.4036 7.4036 7.5824 7.5824 7.7088 7.7088 8.3284 8.3284 8.8474 8.8474 11.9443 11.9443 13.8965 13.8965 14.5097 14.5097 k = 0.1833 0.1084 0.9827 ( 3592 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5827 -6.5827 -6.5543 -6.5543 0.9973 0.9973 2.8495 2.8495 4.0949 4.0949 4.1135 4.1135 4.8011 4.8011 4.9599 4.9599 5.0376 5.0376 5.0441 5.0441 5.2097 5.2097 5.5523 5.5523 5.5771 5.5771 5.8244 5.8244 7.4255 7.4255 7.5868 7.5868 7.6965 7.6965 8.3777 8.3777 8.7968 8.7968 11.8957 11.8957 14.0169 14.0169 14.5764 14.5764 k = 0.2000 0.1182 0.9827 ( 3602 PWs) bands (ev): -24.7732 -24.7732 -7.6862 -7.6862 -6.5826 -6.5826 -6.5544 -6.5544 0.9973 0.9973 2.8492 2.8492 4.0945 4.0945 4.1139 4.1139 4.8042 4.8042 4.9593 4.9593 5.0426 5.0426 5.0455 5.0455 5.2075 5.2075 5.5519 5.5519 5.5774 5.5774 5.8073 5.8073 7.4433 7.4433 7.5911 7.5911 7.6862 7.6862 8.4284 8.4284 8.7448 8.7448 11.8570 11.8570 14.1450 14.1450 14.6272 14.6272 k = 0.2167 0.1281 0.9827 ( 3598 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5826 -6.5826 -6.5544 -6.5544 0.9973 0.9973 2.8491 2.8491 4.0942 4.0942 4.1141 4.1141 4.8066 4.8066 4.9590 4.9590 5.0449 5.0449 5.0483 5.0483 5.2056 5.2056 5.5516 5.5516 5.5777 5.5777 5.7945 5.7945 7.4564 7.4564 7.5948 7.5948 7.6783 7.6783 8.4800 8.4800 8.6919 8.6919 11.8288 11.8288 14.2800 14.2800 14.6624 14.6624 k = 0.2333 0.1379 0.9827 ( 3594 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5826 -6.5826 -6.5544 -6.5544 0.9973 0.9973 2.8489 2.8489 4.0940 4.0940 4.1143 4.1143 4.8081 4.8081 4.9588 4.9588 5.0456 5.0456 5.0510 5.0510 5.2043 5.2043 5.5515 5.5515 5.5779 5.5779 5.7866 5.7866 7.4645 7.4645 7.5974 7.5974 7.6732 7.6732 8.5323 8.5323 8.6389 8.6389 11.8116 11.8116 14.4212 14.4212 14.6827 14.6827 k = 0.2500 0.1478 0.9827 ( 3584 PWs) bands (ev): -24.7732 -24.7732 -7.6861 -7.6861 -6.5826 -6.5826 -6.5544 -6.5544 0.9973 0.9973 2.8489 2.8489 4.0940 4.0940 4.1144 4.1144 4.8087 4.8087 4.9587 4.9587 5.0458 5.0458 5.0521 5.0521 5.2039 5.2039 5.5515 5.5515 5.5779 5.5779 5.7839 5.7839 7.4672 7.4672 7.5984 7.5984 7.6713 7.6713 8.5747 8.5747 8.5962 8.5962 11.8059 11.8059 14.5622 14.5622 14.5765 14.5765 Writing output data file SrxSiAgx2.save init_run : 0.34s CPU 0.48s WALL ( 1 calls) electrons : 175.30s CPU 177.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 175.29s CPU 177.61s 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 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 332 calls) cegterg : 157.36s CPU 159.15s WALL ( 352 calls) Called by sum_band: Called by *egterg: h_psi : 109.30s CPU 110.76s WALL ( 6320 calls) s_psi : 5.72s CPU 5.75s WALL ( 6320 calls) g_psi : 0.17s CPU 0.18s WALL ( 5636 calls) cdiaghg : 44.43s CPU 45.14s WALL ( 5968 calls) cegterg:over : 4.72s CPU 4.62s WALL ( 5636 calls) cegterg:upda : 4.03s CPU 4.00s WALL ( 5636 calls) cegterg:last : 2.03s CPU 2.01s WALL ( 1061 calls) cdiaghg:chol : 2.57s CPU 2.58s WALL ( 5968 calls) cdiaghg:inve : 1.60s CPU 1.71s WALL ( 5968 calls) cdiaghg:para : 2.68s CPU 2.74s WALL ( 11936 calls) Called by h_psi: h_psi:vloc : 96.69s CPU 97.87s WALL ( 6320 calls) h_psi:vnl : 12.48s CPU 12.72s WALL ( 6320 calls) add_vuspsi : 6.56s CPU 6.68s WALL ( 6320 calls) General routines calbec : 5.88s CPU 6.02s WALL ( 6320 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 91.21s CPU 92.46s WALL ( 713732 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.22s WALL ( 664 calls) Parallel routines fft_scatter : 27.65s CPU 28.51s WALL ( 713755 calls) PWSCF : 3m10.36s CPU 3m29.81s WALL This run was terminated on: 16:44:13 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=