Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:27:51 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: ./SrxSiAux2.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 104 43 12 2673 708 113 Max 105 44 13 2676 723 116 Sum 3777 1565 453 96271 25785 4109 bravais-lattice index = 14 lattice parameter (alat) = 11.2202 a.u. unit-cell volume = 653.3823 (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 = 44.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.220160 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.729148 celldm(5)= -0.729148 celldm(6)= 0.458295 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.458295 0.888800 0.000000 ) a(3) = ( -0.729148 -0.444400 0.520435 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.515634 0.960735 ) b(2) = ( 0.000000 1.125113 0.960735 ) b(3) = ( 0.000000 0.000000 1.921471 ) 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd 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 1279 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) Au 11.00 196.96660 Au( 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= 336 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 2) = ( 0.0000000 0.0000000 0.0188379), wk = 0.0029762 k( 3) = ( 0.0000000 0.0000000 0.0376759), wk = 0.0029762 k( 4) = ( 0.0000000 0.0000000 0.0565138), wk = 0.0029762 k( 5) = ( 0.0000000 0.0000000 0.0753518), wk = 0.0029762 k( 6) = ( 0.0000000 0.0000000 0.0941897), wk = 0.0029762 k( 7) = ( 0.0000000 0.0000000 0.1130277), wk = 0.0029762 k( 8) = ( 0.0000000 0.0000000 0.1318656), wk = 0.0029762 k( 9) = ( 0.0000000 0.0000000 0.1507036), wk = 0.0029762 k( 10) = ( 0.0000000 0.0000000 0.1695415), wk = 0.0029762 k( 11) = ( 0.0000000 0.0000000 0.1883795), wk = 0.0029762 k( 12) = ( 0.0000000 0.0000000 0.2072174), wk = 0.0029762 k( 13) = ( 0.0000000 0.0000000 0.2260554), wk = 0.0029762 k( 14) = ( 0.0000000 0.0000000 0.2448933), wk = 0.0029762 k( 15) = ( 0.0000000 0.0000000 0.2637313), wk = 0.0029762 k( 16) = ( 0.0000000 0.0000000 0.2825692), wk = 0.0029762 k( 17) = ( 0.0000000 0.0000000 0.3014072), wk = 0.0029762 k( 18) = ( 0.0000000 0.0000000 0.3202451), wk = 0.0029762 k( 19) = ( 0.0000000 0.0000000 0.3390831), wk = 0.0029762 k( 20) = ( 0.0000000 0.0000000 0.3579210), wk = 0.0029762 k( 21) = ( 0.0000000 0.0000000 0.3767590), wk = 0.0029762 k( 22) = ( 0.0000000 0.0000000 0.3955969), wk = 0.0029762 k( 23) = ( 0.0000000 0.0000000 0.4144348), wk = 0.0029762 k( 24) = ( 0.0000000 0.0000000 0.4332728), wk = 0.0029762 k( 25) = ( 0.0000000 0.0000000 0.4521107), wk = 0.0029762 k( 26) = ( 0.0000000 0.0000000 0.4709487), wk = 0.0029762 k( 27) = ( 0.0000000 0.0000000 0.4897866), wk = 0.0029762 k( 28) = ( 0.0000000 0.0000000 0.5086246), wk = 0.0029762 k( 29) = ( 0.0000000 0.0000000 0.5274625), wk = 0.0029762 k( 30) = ( 0.0000000 0.0000000 0.5463005), wk = 0.0029762 k( 31) = ( 0.0000000 0.0000000 0.5651384), wk = 0.0029762 k( 32) = ( 0.0000000 0.0000000 0.5839764), wk = 0.0029762 k( 33) = ( 0.0000000 0.0000000 0.6028143), wk = 0.0029762 k( 34) = ( 0.0000000 0.0000000 0.6216523), wk = 0.0029762 k( 35) = ( 0.0000000 0.0000000 0.6404902), wk = 0.0029762 k( 36) = ( 0.0000000 0.0000000 0.6593282), wk = 0.0029762 k( 37) = ( 0.0000000 0.0000000 0.6781661), wk = 0.0029762 k( 38) = ( 0.0000000 0.0000000 0.6970041), wk = 0.0029762 k( 39) = ( 0.0000000 0.0000000 0.7158420), wk = 0.0029762 k( 40) = ( 0.0000000 0.0000000 0.7346800), wk = 0.0029762 k( 41) = ( 0.0000000 0.0000000 0.7535179), wk = 0.0029762 k( 42) = ( 0.0000000 0.0000000 0.7723558), wk = 0.0029762 k( 43) = ( 0.0000000 0.0000000 0.7911938), wk = 0.0029762 k( 44) = ( 0.0000000 0.0000000 0.8100318), wk = 0.0029762 k( 45) = ( 0.0000000 0.0000000 0.8288697), wk = 0.0029762 k( 46) = ( 0.0000000 0.0000000 0.8477076), wk = 0.0029762 k( 47) = ( 0.0000000 0.0000000 0.8665456), wk = 0.0029762 k( 48) = ( 0.0000000 0.0000000 0.8853835), wk = 0.0029762 k( 49) = ( 0.0000000 0.0000000 0.9042215), wk = 0.0029762 k( 50) = ( 0.0000000 0.0000000 0.9230594), wk = 0.0029762 k( 51) = ( 0.0000000 0.0000000 0.9418974), wk = 0.0029762 k( 52) = ( 0.0000000 0.0000000 0.9607353), wk = 0.0029762 k( 53) = ( 0.0000000 0.0000000 0.9607353), wk = 0.0029762 k( 54) = ( -0.0092866 0.0152370 0.9607353), wk = 0.0029762 k( 55) = ( -0.0185732 0.0304739 0.9607353), wk = 0.0029762 k( 56) = ( -0.0278598 0.0457109 0.9607353), wk = 0.0029762 k( 57) = ( -0.0371464 0.0609479 0.9607353), wk = 0.0029762 k( 58) = ( -0.0464330 0.0761848 0.9607353), wk = 0.0029762 k( 59) = ( -0.0557196 0.0914218 0.9607353), wk = 0.0029762 k( 60) = ( -0.0650062 0.1066588 0.9607353), wk = 0.0029762 k( 61) = ( -0.0742928 0.1218957 0.9607353), wk = 0.0029762 k( 62) = ( -0.0835794 0.1371327 0.9607353), wk = 0.0029762 k( 63) = ( -0.0928661 0.1523697 0.9607353), wk = 0.0029762 k( 64) = ( -0.0928661 0.1523697 0.9607353), wk = 0.0029762 k( 65) = ( -0.0996516 0.1635030 0.9476971), wk = 0.0029762 k( 66) = ( -0.1064372 0.1746364 0.9346588), wk = 0.0029762 k( 67) = ( -0.1132227 0.1857698 0.9216205), wk = 0.0029762 k( 68) = ( -0.1200083 0.1969032 0.9085823), wk = 0.0029762 k( 69) = ( -0.1267939 0.2080366 0.8955440), wk = 0.0029762 k( 70) = ( -0.1335794 0.2191700 0.8825057), wk = 0.0029762 k( 71) = ( -0.1403650 0.2303034 0.8694675), wk = 0.0029762 k( 72) = ( -0.1471506 0.2414368 0.8564292), wk = 0.0029762 k( 73) = ( -0.1539361 0.2525702 0.8433909), wk = 0.0029762 k( 74) = ( -0.1607217 0.2637036 0.8303527), wk = 0.0029762 k( 75) = ( -0.1675073 0.2748370 0.8173144), wk = 0.0029762 k( 76) = ( -0.1742928 0.2859704 0.8042761), wk = 0.0029762 k( 77) = ( -0.1810784 0.2971038 0.7912379), wk = 0.0029762 k( 78) = ( -0.1878640 0.3082372 0.7781996), wk = 0.0029762 k( 79) = ( -0.1946495 0.3193706 0.7651613), wk = 0.0029762 k( 80) = ( -0.2014351 0.3305040 0.7521231), wk = 0.0029762 k( 81) = ( -0.2082207 0.3416374 0.7390848), wk = 0.0029762 k( 82) = ( -0.2150062 0.3527707 0.7260465), wk = 0.0029762 k( 83) = ( -0.2217918 0.3639041 0.7130083), wk = 0.0029762 k( 84) = ( -0.2285774 0.3750375 0.6999700), wk = 0.0029762 k( 85) = ( -0.2353629 0.3861709 0.6869318), wk = 0.0029762 k( 86) = ( -0.2421485 0.3973043 0.6738935), wk = 0.0029762 k( 87) = ( -0.2489341 0.4084377 0.6608552), wk = 0.0029762 k( 88) = ( -0.2557196 0.4195711 0.6478170), wk = 0.0029762 k( 89) = ( -0.2625052 0.4307045 0.6347787), wk = 0.0029762 k( 90) = ( -0.2692908 0.4418379 0.6217404), wk = 0.0029762 k( 91) = ( -0.2760763 0.4529713 0.6087022), wk = 0.0029762 k( 92) = ( -0.2828619 0.4641047 0.5956639), wk = 0.0029762 k( 93) = ( -0.2896475 0.4752381 0.5826256), wk = 0.0029762 k( 94) = ( -0.2964330 0.4863715 0.5695874), wk = 0.0029762 k( 95) = ( -0.2964330 0.4863715 0.5695874), wk = 0.0029762 k( 96) = ( -0.2895392 0.4750605 0.5563411), wk = 0.0029762 k( 97) = ( -0.2826454 0.4637496 0.5430949), wk = 0.0029762 k( 98) = ( -0.2757517 0.4524386 0.5298487), wk = 0.0029762 k( 99) = ( -0.2688579 0.4411276 0.5166025), wk = 0.0029762 k( 100) = ( -0.2619641 0.4298167 0.5033563), wk = 0.0029762 k( 101) = ( -0.2550703 0.4185057 0.4901101), wk = 0.0029762 k( 102) = ( -0.2481765 0.4071947 0.4768638), wk = 0.0029762 k( 103) = ( -0.2412827 0.3958838 0.4636176), wk = 0.0029762 k( 104) = ( -0.2343889 0.3845728 0.4503714), wk = 0.0029762 k( 105) = ( -0.2274951 0.3732618 0.4371252), wk = 0.0029762 k( 106) = ( -0.2206013 0.3619509 0.4238790), wk = 0.0029762 k( 107) = ( -0.2137075 0.3506399 0.4106327), wk = 0.0029762 k( 108) = ( -0.2068137 0.3393289 0.3973865), wk = 0.0029762 k( 109) = ( -0.1999200 0.3280180 0.3841403), wk = 0.0029762 k( 110) = ( -0.1930262 0.3167070 0.3708941), wk = 0.0029762 k( 111) = ( -0.1861324 0.3053960 0.3576479), wk = 0.0029762 k( 112) = ( -0.1792386 0.2940851 0.3444017), wk = 0.0029762 k( 113) = ( -0.1723448 0.2827741 0.3311554), wk = 0.0029762 k( 114) = ( -0.1654510 0.2714632 0.3179092), wk = 0.0029762 k( 115) = ( -0.1585572 0.2601522 0.3046630), wk = 0.0029762 k( 116) = ( -0.1516634 0.2488412 0.2914168), wk = 0.0029762 k( 117) = ( -0.1447696 0.2375303 0.2781706), wk = 0.0029762 k( 118) = ( -0.1378758 0.2262193 0.2649244), wk = 0.0029762 k( 119) = ( -0.1309820 0.2149083 0.2516781), wk = 0.0029762 k( 120) = ( -0.1240882 0.2035974 0.2384319), wk = 0.0029762 k( 121) = ( -0.1171945 0.1922864 0.2251857), wk = 0.0029762 k( 122) = ( -0.1103007 0.1809754 0.2119395), wk = 0.0029762 k( 123) = ( -0.1034069 0.1696645 0.1986933), wk = 0.0029762 k( 124) = ( -0.0965131 0.1583535 0.1854471), wk = 0.0029762 k( 125) = ( -0.0896193 0.1470425 0.1722008), wk = 0.0029762 k( 126) = ( -0.0827255 0.1357316 0.1589546), wk = 0.0029762 k( 127) = ( -0.0758317 0.1244206 0.1457084), wk = 0.0029762 k( 128) = ( -0.0689379 0.1131096 0.1324622), wk = 0.0029762 k( 129) = ( -0.0620441 0.1017987 0.1192160), wk = 0.0029762 k( 130) = ( -0.0551503 0.0904877 0.1059697), wk = 0.0029762 k( 131) = ( -0.0482565 0.0791768 0.0927235), wk = 0.0029762 k( 132) = ( -0.0413627 0.0678658 0.0794773), wk = 0.0029762 k( 133) = ( -0.0344690 0.0565548 0.0662311), wk = 0.0029762 k( 134) = ( -0.0275752 0.0452439 0.0529849), wk = 0.0029762 k( 135) = ( -0.0206814 0.0339329 0.0397386), wk = 0.0029762 k( 136) = ( -0.0137876 0.0226219 0.0264924), wk = 0.0029762 k( 137) = ( -0.0068938 0.0113110 0.0132462), wk = 0.0029762 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 140) = ( 0.0161290 0.0098303 0.0000000), wk = 0.0029762 k( 141) = ( 0.0322581 0.0196606 0.0000000), wk = 0.0029762 k( 142) = ( 0.0483871 0.0294909 0.0000000), wk = 0.0029762 k( 143) = ( 0.0645161 0.0393212 0.0000000), wk = 0.0029762 k( 144) = ( 0.0806452 0.0491515 0.0000000), wk = 0.0029762 k( 145) = ( 0.0967742 0.0589818 0.0000000), wk = 0.0029762 k( 146) = ( 0.1129032 0.0688121 0.0000000), wk = 0.0029762 k( 147) = ( 0.1290323 0.0786424 0.0000000), wk = 0.0029762 k( 148) = ( 0.1451613 0.0884727 0.0000000), wk = 0.0029762 k( 149) = ( 0.1612903 0.0983030 0.0000000), wk = 0.0029762 k( 150) = ( 0.1774194 0.1081333 0.0000000), wk = 0.0029762 k( 151) = ( 0.1935484 0.1179636 0.0000000), wk = 0.0029762 k( 152) = ( 0.2096774 0.1277939 0.0000000), wk = 0.0029762 k( 153) = ( 0.2258064 0.1376242 0.0000000), wk = 0.0029762 k( 154) = ( 0.2419355 0.1474545 0.0000000), wk = 0.0029762 k( 155) = ( 0.2580645 0.1572848 0.0000000), wk = 0.0029762 k( 156) = ( 0.2741936 0.1671151 0.0000000), wk = 0.0029762 k( 157) = ( 0.2903226 0.1769454 0.0000000), wk = 0.0029762 k( 158) = ( 0.3064516 0.1867757 0.0000000), wk = 0.0029762 k( 159) = ( 0.3225807 0.1966060 0.0000000), wk = 0.0029762 k( 160) = ( 0.3387097 0.2064363 0.0000000), wk = 0.0029762 k( 161) = ( 0.3548387 0.2162666 0.0000000), wk = 0.0029762 k( 162) = ( 0.3709677 0.2260969 0.0000000), wk = 0.0029762 k( 163) = ( 0.3870968 0.2359272 0.0000000), wk = 0.0029762 k( 164) = ( 0.4032258 0.2457575 0.0000000), wk = 0.0029762 k( 165) = ( 0.4193548 0.2555878 0.0000000), wk = 0.0029762 k( 166) = ( 0.4354839 0.2654181 0.0000000), wk = 0.0029762 k( 167) = ( 0.4516129 0.2752484 0.0000000), wk = 0.0029762 k( 168) = ( 0.4677419 0.2850787 0.0000000), wk = 0.0029762 k( 169) = ( 0.4838710 0.2949090 0.0000000), wk = 0.0029762 k( 170) = ( 0.5000000 0.3047393 0.0000000), wk = 0.0029762 k( 171) = ( 0.5000000 0.3047393 0.0000000), wk = 0.0029762 k( 172) = ( 0.4932144 0.3158727 0.0130383), wk = 0.0029762 k( 173) = ( 0.4864289 0.3270061 0.0260765), wk = 0.0029762 k( 174) = ( 0.4796433 0.3381395 0.0391148), wk = 0.0029762 k( 175) = ( 0.4728577 0.3492729 0.0521531), wk = 0.0029762 k( 176) = ( 0.4660722 0.3604063 0.0651913), wk = 0.0029762 k( 177) = ( 0.4592866 0.3715397 0.0782296), wk = 0.0029762 k( 178) = ( 0.4525010 0.3826731 0.0912679), wk = 0.0029762 k( 179) = ( 0.4457155 0.3938065 0.1043061), wk = 0.0029762 k( 180) = ( 0.4389299 0.4049399 0.1173444), wk = 0.0029762 k( 181) = ( 0.4321443 0.4160733 0.1303827), wk = 0.0029762 k( 182) = ( 0.4253588 0.4272066 0.1434209), wk = 0.0029762 k( 183) = ( 0.4185732 0.4383400 0.1564592), wk = 0.0029762 k( 184) = ( 0.4117876 0.4494734 0.1694975), wk = 0.0029762 k( 185) = ( 0.4050021 0.4606068 0.1825357), wk = 0.0029762 k( 186) = ( 0.3982165 0.4717402 0.1955740), wk = 0.0029762 k( 187) = ( 0.3914309 0.4828736 0.2086122), wk = 0.0029762 k( 188) = ( 0.3846454 0.4940070 0.2216505), wk = 0.0029762 k( 189) = ( 0.3778598 0.5051404 0.2346888), wk = 0.0029762 k( 190) = ( 0.3710742 0.5162738 0.2477270), wk = 0.0029762 k( 191) = ( 0.3642887 0.5274072 0.2607653), wk = 0.0029762 k( 192) = ( 0.3575031 0.5385406 0.2738036), wk = 0.0029762 k( 193) = ( 0.3507175 0.5496740 0.2868418), wk = 0.0029762 k( 194) = ( 0.3439320 0.5608074 0.2998801), wk = 0.0029762 k( 195) = ( 0.3371464 0.5719408 0.3129184), wk = 0.0029762 k( 196) = ( 0.3303608 0.5830742 0.3259566), wk = 0.0029762 k( 197) = ( 0.3235753 0.5942076 0.3389949), wk = 0.0029762 k( 198) = ( 0.3167897 0.6053410 0.3520332), wk = 0.0029762 k( 199) = ( 0.3100042 0.6164743 0.3650714), wk = 0.0029762 k( 200) = ( 0.3032186 0.6276077 0.3781097), wk = 0.0029762 k( 201) = ( 0.2964330 0.6387411 0.3911480), wk = 0.0029762 k( 202) = ( 0.2964330 0.6387411 0.3911480), wk = 0.0029762 k( 203) = ( 0.2789958 0.6342597 0.3963962), wk = 0.0029762 k( 204) = ( 0.2615586 0.6297782 0.4016444), wk = 0.0029762 k( 205) = ( 0.2441213 0.6252968 0.4068926), wk = 0.0029762 k( 206) = ( 0.2266841 0.6208153 0.4121408), wk = 0.0029762 k( 207) = ( 0.2092468 0.6163338 0.4173891), wk = 0.0029762 k( 208) = ( 0.1918096 0.6118524 0.4226373), wk = 0.0029762 k( 209) = ( 0.1743724 0.6073709 0.4278855), wk = 0.0029762 k( 210) = ( 0.1569351 0.6028895 0.4331337), wk = 0.0029762 k( 211) = ( 0.1394979 0.5984080 0.4383819), wk = 0.0029762 k( 212) = ( 0.1220607 0.5939265 0.4436301), wk = 0.0029762 k( 213) = ( 0.1046234 0.5894451 0.4488784), wk = 0.0029762 k( 214) = ( 0.0871862 0.5849636 0.4541266), wk = 0.0029762 k( 215) = ( 0.0697490 0.5804822 0.4593748), wk = 0.0029762 k( 216) = ( 0.0523117 0.5760007 0.4646230), wk = 0.0029762 k( 217) = ( 0.0348745 0.5715192 0.4698712), wk = 0.0029762 k( 218) = ( 0.0174372 0.5670378 0.4751194), wk = 0.0029762 k( 219) = ( 0.0000000 0.5625563 0.4803677), wk = 0.0029762 k( 220) = ( 0.0000000 0.5625563 0.4803677), wk = 0.0029762 k( 221) = ( 0.0069444 0.5511622 0.4937112), wk = 0.0029762 k( 222) = ( 0.0138889 0.5397682 0.5070548), wk = 0.0029762 k( 223) = ( 0.0208333 0.5283741 0.5203983), wk = 0.0029762 k( 224) = ( 0.0277778 0.5169800 0.5337419), wk = 0.0029762 k( 225) = ( 0.0347222 0.5055859 0.5470854), wk = 0.0029762 k( 226) = ( 0.0416667 0.4941919 0.5604289), wk = 0.0029762 k( 227) = ( 0.0486111 0.4827978 0.5737725), wk = 0.0029762 k( 228) = ( 0.0555556 0.4714037 0.5871160), wk = 0.0029762 k( 229) = ( 0.0625000 0.4600096 0.6004596), wk = 0.0029762 k( 230) = ( 0.0694444 0.4486156 0.6138031), wk = 0.0029762 k( 231) = ( 0.0763889 0.4372215 0.6271467), wk = 0.0029762 k( 232) = ( 0.0833333 0.4258274 0.6404902), wk = 0.0029762 k( 233) = ( 0.0902778 0.4144334 0.6538338), wk = 0.0029762 k( 234) = ( 0.0972222 0.4030393 0.6671773), wk = 0.0029762 k( 235) = ( 0.1041667 0.3916452 0.6805209), wk = 0.0029762 k( 236) = ( 0.1111111 0.3802511 0.6938644), wk = 0.0029762 k( 237) = ( 0.1180556 0.3688571 0.7072080), wk = 0.0029762 k( 238) = ( 0.1250000 0.3574630 0.7205515), wk = 0.0029762 k( 239) = ( 0.1319444 0.3460689 0.7338950), wk = 0.0029762 k( 240) = ( 0.1388889 0.3346748 0.7472386), wk = 0.0029762 k( 241) = ( 0.1458333 0.3232808 0.7605821), wk = 0.0029762 k( 242) = ( 0.1527778 0.3118867 0.7739257), wk = 0.0029762 k( 243) = ( 0.1597222 0.3004926 0.7872692), wk = 0.0029762 k( 244) = ( 0.1666667 0.2890985 0.8006128), wk = 0.0029762 k( 245) = ( 0.1736111 0.2777045 0.8139563), wk = 0.0029762 k( 246) = ( 0.1805556 0.2663104 0.8272999), wk = 0.0029762 k( 247) = ( 0.1875000 0.2549163 0.8406434), wk = 0.0029762 k( 248) = ( 0.1944444 0.2435223 0.8539870), wk = 0.0029762 k( 249) = ( 0.2013889 0.2321282 0.8673305), wk = 0.0029762 k( 250) = ( 0.2083333 0.2207341 0.8806740), wk = 0.0029762 k( 251) = ( 0.2152778 0.2093400 0.8940176), wk = 0.0029762 k( 252) = ( 0.2222222 0.1979460 0.9073611), wk = 0.0029762 k( 253) = ( 0.2291667 0.1865519 0.9207047), wk = 0.0029762 k( 254) = ( 0.2361111 0.1751578 0.9340482), wk = 0.0029762 k( 255) = ( 0.2430556 0.1637637 0.9473918), wk = 0.0029762 k( 256) = ( 0.2500000 0.1523697 0.9607353), wk = 0.0029762 k( 257) = ( 0.2500000 0.1523697 0.9607353), wk = 0.0029762 k( 258) = ( 0.2631579 0.1603891 0.9513438), wk = 0.0029762 k( 259) = ( 0.2763158 0.1684086 0.9419522), wk = 0.0029762 k( 260) = ( 0.2894737 0.1764280 0.9325607), wk = 0.0029762 k( 261) = ( 0.3026316 0.1844475 0.9231691), wk = 0.0029762 k( 262) = ( 0.3157895 0.1924669 0.9137776), wk = 0.0029762 k( 263) = ( 0.3289474 0.2004864 0.9043861), wk = 0.0029762 k( 264) = ( 0.3421053 0.2085058 0.8949945), wk = 0.0029762 k( 265) = ( 0.3552632 0.2165253 0.8856030), wk = 0.0029762 k( 266) = ( 0.3684211 0.2245448 0.8762114), wk = 0.0029762 k( 267) = ( 0.3815789 0.2325642 0.8668199), wk = 0.0029762 k( 268) = ( 0.3947368 0.2405837 0.8574283), wk = 0.0029762 k( 269) = ( 0.4078947 0.2486031 0.8480368), wk = 0.0029762 k( 270) = ( 0.4210526 0.2566226 0.8386452), wk = 0.0029762 k( 271) = ( 0.4342105 0.2646420 0.8292537), wk = 0.0029762 k( 272) = ( 0.4473684 0.2726615 0.8198621), wk = 0.0029762 k( 273) = ( 0.4605263 0.2806809 0.8104706), wk = 0.0029762 k( 274) = ( 0.4736842 0.2887004 0.8010790), wk = 0.0029762 k( 275) = ( 0.4868421 0.2967199 0.7916875), wk = 0.0029762 k( 276) = ( 0.5000000 0.3047393 0.7822959), wk = 0.0029762 k( 277) = ( 0.5000000 0.3047393 0.7822959), wk = 0.0029762 k( 278) = ( 0.5000000 0.3047393 0.7636699), wk = 0.0029762 k( 279) = ( 0.5000000 0.3047393 0.7450438), wk = 0.0029762 k( 280) = ( 0.5000000 0.3047393 0.7264177), wk = 0.0029762 k( 281) = ( 0.5000000 0.3047393 0.7077916), wk = 0.0029762 k( 282) = ( 0.5000000 0.3047393 0.6891655), wk = 0.0029762 k( 283) = ( 0.5000000 0.3047393 0.6705394), wk = 0.0029762 k( 284) = ( 0.5000000 0.3047393 0.6519133), wk = 0.0029762 k( 285) = ( 0.5000000 0.3047393 0.6332872), wk = 0.0029762 k( 286) = ( 0.5000000 0.3047393 0.6146611), wk = 0.0029762 k( 287) = ( 0.5000000 0.3047393 0.5960350), wk = 0.0029762 k( 288) = ( 0.5000000 0.3047393 0.5774089), wk = 0.0029762 k( 289) = ( 0.5000000 0.3047393 0.5587828), wk = 0.0029762 k( 290) = ( 0.5000000 0.3047393 0.5401567), wk = 0.0029762 k( 291) = ( 0.5000000 0.3047393 0.5215306), wk = 0.0029762 k( 292) = ( 0.5000000 0.3047393 0.5029045), wk = 0.0029762 k( 293) = ( 0.5000000 0.3047393 0.4842784), wk = 0.0029762 k( 294) = ( 0.5000000 0.3047393 0.4656524), wk = 0.0029762 k( 295) = ( 0.5000000 0.3047393 0.4470262), wk = 0.0029762 k( 296) = ( 0.5000000 0.3047393 0.4284002), wk = 0.0029762 k( 297) = ( 0.5000000 0.3047393 0.4097741), wk = 0.0029762 k( 298) = ( 0.5000000 0.3047393 0.3911480), wk = 0.0029762 k( 299) = ( 0.5000000 0.3047393 0.3725219), wk = 0.0029762 k( 300) = ( 0.5000000 0.3047393 0.3538958), wk = 0.0029762 k( 301) = ( 0.5000000 0.3047393 0.3352697), wk = 0.0029762 k( 302) = ( 0.5000000 0.3047393 0.3166436), wk = 0.0029762 k( 303) = ( 0.5000000 0.3047393 0.2980175), wk = 0.0029762 k( 304) = ( 0.5000000 0.3047393 0.2793914), wk = 0.0029762 k( 305) = ( 0.5000000 0.3047393 0.2607653), wk = 0.0029762 k( 306) = ( 0.5000000 0.3047393 0.2421392), wk = 0.0029762 k( 307) = ( 0.5000000 0.3047393 0.2235131), wk = 0.0029762 k( 308) = ( 0.5000000 0.3047393 0.2048870), wk = 0.0029762 k( 309) = ( 0.5000000 0.3047393 0.1862609), wk = 0.0029762 k( 310) = ( 0.5000000 0.3047393 0.1676348), wk = 0.0029762 k( 311) = ( 0.5000000 0.3047393 0.1490087), wk = 0.0029762 k( 312) = ( 0.5000000 0.3047393 0.1303827), wk = 0.0029762 k( 313) = ( 0.5000000 0.3047393 0.1117566), wk = 0.0029762 k( 314) = ( 0.5000000 0.3047393 0.0931305), wk = 0.0029762 k( 315) = ( 0.5000000 0.3047393 0.0745044), wk = 0.0029762 k( 316) = ( 0.5000000 0.3047393 0.0558783), wk = 0.0029762 k( 317) = ( 0.5000000 0.3047393 0.0372522), wk = 0.0029762 k( 318) = ( 0.5000000 0.3047393 0.0186261), wk = 0.0029762 k( 319) = ( 0.5000000 0.3047393 0.0000000), wk = 0.0029762 k( 320) = ( 0.0000000 0.0000000 0.9607353), wk = 0.0029762 k( 321) = ( 0.0156250 0.0095231 0.9607353), wk = 0.0029762 k( 322) = ( 0.0312500 0.0190462 0.9607353), wk = 0.0029762 k( 323) = ( 0.0468750 0.0285693 0.9607353), wk = 0.0029762 k( 324) = ( 0.0625000 0.0380924 0.9607353), wk = 0.0029762 k( 325) = ( 0.0781250 0.0476155 0.9607353), wk = 0.0029762 k( 326) = ( 0.0937500 0.0571386 0.9607353), wk = 0.0029762 k( 327) = ( 0.1093750 0.0666617 0.9607353), wk = 0.0029762 k( 328) = ( 0.1250000 0.0761848 0.9607353), wk = 0.0029762 k( 329) = ( 0.1406250 0.0857079 0.9607353), wk = 0.0029762 k( 330) = ( 0.1562500 0.0952310 0.9607353), wk = 0.0029762 k( 331) = ( 0.1718750 0.1047541 0.9607353), wk = 0.0029762 k( 332) = ( 0.1875000 0.1142772 0.9607353), wk = 0.0029762 k( 333) = ( 0.2031250 0.1238003 0.9607353), wk = 0.0029762 k( 334) = ( 0.2187500 0.1333234 0.9607353), wk = 0.0029762 k( 335) = ( 0.2343750 0.1428466 0.9607353), wk = 0.0029762 k( 336) = ( 0.2500000 0.1523697 0.9607353), wk = 0.0029762 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0029762 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0029762 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0029762 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0029762 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0029762 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0029762 k( 8) = ( 0.0000000 0.0000000 0.0686275), wk = 0.0029762 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0029762 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0029762 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0029762 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0029762 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0029762 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0029762 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0029762 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0029762 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0029762 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029762 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0029762 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0029762 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0029762 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0029762 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0029762 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0029762 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0029762 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0029762 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0029762 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0029762 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0029762 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0029762 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0029762 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0029762 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0029762 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0029762 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029762 k( 36) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0029762 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0029762 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0029762 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0029762 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0029762 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0029762 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0029762 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0029762 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0029762 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0029762 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0029762 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0029762 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0029762 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0029762 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0029762 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0029762 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029762 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029762 k( 54) = ( -0.0092866 0.0092866 0.5000000), wk = 0.0029762 k( 55) = ( -0.0185732 0.0185732 0.5000000), wk = 0.0029762 k( 56) = ( -0.0278598 0.0278598 0.5000000), wk = 0.0029762 k( 57) = ( -0.0371464 0.0371464 0.5000000), wk = 0.0029762 k( 58) = ( -0.0464330 0.0464330 0.5000000), wk = 0.0029762 k( 59) = ( -0.0557196 0.0557196 0.5000000), wk = 0.0029762 k( 60) = ( -0.0650062 0.0650062 0.5000000), wk = 0.0029762 k( 61) = ( -0.0742928 0.0742928 0.5000000), wk = 0.0029762 k( 62) = ( -0.0835794 0.0835794 0.5000000), wk = 0.0029762 k( 63) = ( -0.0928661 0.0928661 0.5000000), wk = 0.0029762 k( 64) = ( -0.0928661 0.0928661 0.5000000), wk = 0.0029762 k( 65) = ( -0.0996516 0.0996516 0.4932144), wk = 0.0029762 k( 66) = ( -0.1064372 0.1064372 0.4864289), wk = 0.0029762 k( 67) = ( -0.1132227 0.1132227 0.4796433), wk = 0.0029762 k( 68) = ( -0.1200083 0.1200083 0.4728577), wk = 0.0029762 k( 69) = ( -0.1267939 0.1267939 0.4660722), wk = 0.0029762 k( 70) = ( -0.1335794 0.1335794 0.4592866), wk = 0.0029762 k( 71) = ( -0.1403650 0.1403650 0.4525010), wk = 0.0029762 k( 72) = ( -0.1471506 0.1471506 0.4457155), wk = 0.0029762 k( 73) = ( -0.1539361 0.1539361 0.4389299), wk = 0.0029762 k( 74) = ( -0.1607217 0.1607217 0.4321443), wk = 0.0029762 k( 75) = ( -0.1675073 0.1675073 0.4253588), wk = 0.0029762 k( 76) = ( -0.1742928 0.1742928 0.4185732), wk = 0.0029762 k( 77) = ( -0.1810784 0.1810784 0.4117876), wk = 0.0029762 k( 78) = ( -0.1878640 0.1878640 0.4050021), wk = 0.0029762 k( 79) = ( -0.1946495 0.1946495 0.3982165), wk = 0.0029762 k( 80) = ( -0.2014351 0.2014351 0.3914309), wk = 0.0029762 k( 81) = ( -0.2082207 0.2082207 0.3846454), wk = 0.0029762 k( 82) = ( -0.2150062 0.2150062 0.3778598), wk = 0.0029762 k( 83) = ( -0.2217918 0.2217918 0.3710742), wk = 0.0029762 k( 84) = ( -0.2285774 0.2285774 0.3642887), wk = 0.0029762 k( 85) = ( -0.2353629 0.2353629 0.3575031), wk = 0.0029762 k( 86) = ( -0.2421485 0.2421485 0.3507175), wk = 0.0029762 k( 87) = ( -0.2489341 0.2489341 0.3439320), wk = 0.0029762 k( 88) = ( -0.2557196 0.2557196 0.3371464), wk = 0.0029762 k( 89) = ( -0.2625052 0.2625052 0.3303608), wk = 0.0029762 k( 90) = ( -0.2692908 0.2692908 0.3235753), wk = 0.0029762 k( 91) = ( -0.2760763 0.2760763 0.3167897), wk = 0.0029762 k( 92) = ( -0.2828619 0.2828619 0.3100042), wk = 0.0029762 k( 93) = ( -0.2896475 0.2896475 0.3032186), wk = 0.0029762 k( 94) = ( -0.2964330 0.2964330 0.2964330), wk = 0.0029762 k( 95) = ( -0.2964330 0.2964330 0.2964330), wk = 0.0029762 k( 96) = ( -0.2895392 0.2895392 0.2895392), wk = 0.0029762 k( 97) = ( -0.2826454 0.2826454 0.2826454), wk = 0.0029762 k( 98) = ( -0.2757517 0.2757517 0.2757516), wk = 0.0029762 k( 99) = ( -0.2688579 0.2688579 0.2688579), wk = 0.0029762 k( 100) = ( -0.2619641 0.2619641 0.2619641), wk = 0.0029762 k( 101) = ( -0.2550703 0.2550703 0.2550703), wk = 0.0029762 k( 102) = ( -0.2481765 0.2481765 0.2481765), wk = 0.0029762 k( 103) = ( -0.2412827 0.2412827 0.2412827), wk = 0.0029762 k( 104) = ( -0.2343889 0.2343889 0.2343889), wk = 0.0029762 k( 105) = ( -0.2274951 0.2274951 0.2274951), wk = 0.0029762 k( 106) = ( -0.2206013 0.2206013 0.2206013), wk = 0.0029762 k( 107) = ( -0.2137075 0.2137075 0.2137075), wk = 0.0029762 k( 108) = ( -0.2068137 0.2068137 0.2068137), wk = 0.0029762 k( 109) = ( -0.1999200 0.1999200 0.1999200), wk = 0.0029762 k( 110) = ( -0.1930262 0.1930262 0.1930262), wk = 0.0029762 k( 111) = ( -0.1861324 0.1861324 0.1861324), wk = 0.0029762 k( 112) = ( -0.1792386 0.1792386 0.1792386), wk = 0.0029762 k( 113) = ( -0.1723448 0.1723448 0.1723448), wk = 0.0029762 k( 114) = ( -0.1654510 0.1654510 0.1654510), wk = 0.0029762 k( 115) = ( -0.1585572 0.1585572 0.1585572), wk = 0.0029762 k( 116) = ( -0.1516634 0.1516634 0.1516634), wk = 0.0029762 k( 117) = ( -0.1447696 0.1447696 0.1447696), wk = 0.0029762 k( 118) = ( -0.1378758 0.1378758 0.1378758), wk = 0.0029762 k( 119) = ( -0.1309820 0.1309820 0.1309820), wk = 0.0029762 k( 120) = ( -0.1240882 0.1240882 0.1240882), wk = 0.0029762 k( 121) = ( -0.1171945 0.1171945 0.1171945), wk = 0.0029762 k( 122) = ( -0.1103007 0.1103007 0.1103007), wk = 0.0029762 k( 123) = ( -0.1034069 0.1034069 0.1034069), wk = 0.0029762 k( 124) = ( -0.0965131 0.0965131 0.0965131), wk = 0.0029762 k( 125) = ( -0.0896193 0.0896193 0.0896193), wk = 0.0029762 k( 126) = ( -0.0827255 0.0827255 0.0827255), wk = 0.0029762 k( 127) = ( -0.0758317 0.0758317 0.0758317), wk = 0.0029762 k( 128) = ( -0.0689379 0.0689379 0.0689379), wk = 0.0029762 k( 129) = ( -0.0620441 0.0620441 0.0620441), wk = 0.0029762 k( 130) = ( -0.0551503 0.0551503 0.0551503), wk = 0.0029762 k( 131) = ( -0.0482565 0.0482565 0.0482565), wk = 0.0029762 k( 132) = ( -0.0413627 0.0413628 0.0413627), wk = 0.0029762 k( 133) = ( -0.0344690 0.0344690 0.0344690), wk = 0.0029762 k( 134) = ( -0.0275752 0.0275752 0.0275752), wk = 0.0029762 k( 135) = ( -0.0206814 0.0206814 0.0206814), wk = 0.0029762 k( 136) = ( -0.0137876 0.0137876 0.0137876), wk = 0.0029762 k( 137) = ( -0.0068938 0.0068938 0.0068938), wk = 0.0029762 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029762 k( 140) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0029762 k( 141) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0029762 k( 142) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0029762 k( 143) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0029762 k( 144) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0029762 k( 145) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0029762 k( 146) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0029762 k( 147) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0029762 k( 148) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0029762 k( 149) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0029762 k( 150) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0029762 k( 151) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0029762 k( 152) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0029762 k( 153) = ( 0.2258064 0.2258065 -0.2258065), wk = 0.0029762 k( 154) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0029762 k( 155) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0029762 k( 156) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0029762 k( 157) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0029762 k( 158) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0029762 k( 159) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0029762 k( 160) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0029762 k( 161) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0029762 k( 162) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0029762 k( 163) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0029762 k( 164) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0029762 k( 165) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0029762 k( 166) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0029762 k( 167) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0029762 k( 168) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0029762 k( 169) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0029762 k( 170) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029762 k( 171) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029762 k( 172) = ( 0.4932144 0.5067856 -0.4932144), wk = 0.0029762 k( 173) = ( 0.4864289 0.5135711 -0.4864289), wk = 0.0029762 k( 174) = ( 0.4796433 0.5203567 -0.4796433), wk = 0.0029762 k( 175) = ( 0.4728577 0.5271423 -0.4728577), wk = 0.0029762 k( 176) = ( 0.4660722 0.5339278 -0.4660722), wk = 0.0029762 k( 177) = ( 0.4592866 0.5407134 -0.4592866), wk = 0.0029762 k( 178) = ( 0.4525010 0.5474990 -0.4525010), wk = 0.0029762 k( 179) = ( 0.4457155 0.5542845 -0.4457155), wk = 0.0029762 k( 180) = ( 0.4389299 0.5610701 -0.4389299), wk = 0.0029762 k( 181) = ( 0.4321443 0.5678557 -0.4321443), wk = 0.0029762 k( 182) = ( 0.4253588 0.5746412 -0.4253588), wk = 0.0029762 k( 183) = ( 0.4185732 0.5814268 -0.4185732), wk = 0.0029762 k( 184) = ( 0.4117876 0.5882124 -0.4117876), wk = 0.0029762 k( 185) = ( 0.4050021 0.5949979 -0.4050021), wk = 0.0029762 k( 186) = ( 0.3982165 0.6017835 -0.3982165), wk = 0.0029762 k( 187) = ( 0.3914309 0.6085691 -0.3914310), wk = 0.0029762 k( 188) = ( 0.3846454 0.6153546 -0.3846454), wk = 0.0029762 k( 189) = ( 0.3778598 0.6221402 -0.3778598), wk = 0.0029762 k( 190) = ( 0.3710742 0.6289257 -0.3710743), wk = 0.0029762 k( 191) = ( 0.3642887 0.6357113 -0.3642887), wk = 0.0029762 k( 192) = ( 0.3575031 0.6424969 -0.3575031), wk = 0.0029762 k( 193) = ( 0.3507175 0.6492825 -0.3507176), wk = 0.0029762 k( 194) = ( 0.3439320 0.6560680 -0.3439320), wk = 0.0029762 k( 195) = ( 0.3371464 0.6628536 -0.3371464), wk = 0.0029762 k( 196) = ( 0.3303608 0.6696391 -0.3303609), wk = 0.0029762 k( 197) = ( 0.3235753 0.6764247 -0.3235753), wk = 0.0029762 k( 198) = ( 0.3167897 0.6832103 -0.3167897), wk = 0.0029762 k( 199) = ( 0.3100042 0.6899958 -0.3100042), wk = 0.0029762 k( 200) = ( 0.3032186 0.6967814 -0.3032186), wk = 0.0029762 k( 201) = ( 0.2964330 0.7035670 -0.2964330), wk = 0.0029762 k( 202) = ( 0.2964330 0.7035670 -0.2964330), wk = 0.0029762 k( 203) = ( 0.2789958 0.6915925 -0.2789958), wk = 0.0029762 k( 204) = ( 0.2615586 0.6796179 -0.2615586), wk = 0.0029762 k( 205) = ( 0.2441213 0.6676434 -0.2441213), wk = 0.0029762 k( 206) = ( 0.2266841 0.6556689 -0.2266841), wk = 0.0029762 k( 207) = ( 0.2092468 0.6436943 -0.2092468), wk = 0.0029762 k( 208) = ( 0.1918096 0.6317198 -0.1918096), wk = 0.0029762 k( 209) = ( 0.1743724 0.6197453 -0.1743724), wk = 0.0029762 k( 210) = ( 0.1569351 0.6077708 -0.1569351), wk = 0.0029762 k( 211) = ( 0.1394979 0.5957962 -0.1394979), wk = 0.0029762 k( 212) = ( 0.1220607 0.5838217 -0.1220607), wk = 0.0029762 k( 213) = ( 0.1046234 0.5718472 -0.1046234), wk = 0.0029762 k( 214) = ( 0.0871862 0.5598726 -0.0871862), wk = 0.0029762 k( 215) = ( 0.0697490 0.5478981 -0.0697489), wk = 0.0029762 k( 216) = ( 0.0523117 0.5359236 -0.0523117), wk = 0.0029762 k( 217) = ( 0.0348745 0.5239491 -0.0348745), wk = 0.0029762 k( 218) = ( 0.0174372 0.5119745 -0.0174372), wk = 0.0029762 k( 219) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029762 k( 220) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029762 k( 221) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0029762 k( 222) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0029762 k( 223) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0029762 k( 224) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0029762 k( 225) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0029762 k( 226) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0029762 k( 227) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0029762 k( 228) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0029762 k( 229) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0029762 k( 230) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0029762 k( 231) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0029762 k( 232) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029762 k( 233) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0029762 k( 234) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0029762 k( 235) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0029762 k( 236) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0029762 k( 237) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0029762 k( 238) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029762 k( 239) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0029762 k( 240) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0029762 k( 241) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0029762 k( 242) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0029762 k( 243) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0029762 k( 244) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029762 k( 245) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0029762 k( 246) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0029762 k( 247) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0029762 k( 248) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0029762 k( 249) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0029762 k( 250) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0029762 k( 251) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0029762 k( 252) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0029762 k( 253) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0029762 k( 254) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0029762 k( 255) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0029762 k( 256) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029762 k( 257) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029762 k( 258) = ( 0.2631579 0.2631579 0.2319544), wk = 0.0029762 k( 259) = ( 0.2763158 0.2763158 0.2139088), wk = 0.0029762 k( 260) = ( 0.2894737 0.2894737 0.1958633), wk = 0.0029762 k( 261) = ( 0.3026316 0.3026316 0.1778177), wk = 0.0029762 k( 262) = ( 0.3157895 0.3157895 0.1597721), wk = 0.0029762 k( 263) = ( 0.3289474 0.3289474 0.1417265), wk = 0.0029762 k( 264) = ( 0.3421053 0.3421053 0.1236809), wk = 0.0029762 k( 265) = ( 0.3552632 0.3552632 0.1056354), wk = 0.0029762 k( 266) = ( 0.3684211 0.3684211 0.0875898), wk = 0.0029762 k( 267) = ( 0.3815789 0.3815790 0.0695442), wk = 0.0029762 k( 268) = ( 0.3947368 0.3947368 0.0514986), wk = 0.0029762 k( 269) = ( 0.4078947 0.4078947 0.0334530), wk = 0.0029762 k( 270) = ( 0.4210526 0.4210526 0.0154074), wk = 0.0029762 k( 271) = ( 0.4342105 0.4342105 -0.0026381), wk = 0.0029762 k( 272) = ( 0.4473684 0.4473684 -0.0206837), wk = 0.0029762 k( 273) = ( 0.4605263 0.4605263 -0.0387293), wk = 0.0029762 k( 274) = ( 0.4736842 0.4736842 -0.0567749), wk = 0.0029762 k( 275) = ( 0.4868421 0.4868421 -0.0748205), wk = 0.0029762 k( 276) = ( 0.5000000 0.5000000 -0.0928661), wk = 0.0029762 k( 277) = ( 0.5000000 0.5000000 -0.0928661), wk = 0.0029762 k( 278) = ( 0.5000000 0.5000000 -0.1025597), wk = 0.0029762 k( 279) = ( 0.5000000 0.5000000 -0.1122534), wk = 0.0029762 k( 280) = ( 0.5000000 0.5000000 -0.1219471), wk = 0.0029762 k( 281) = ( 0.5000000 0.5000000 -0.1316407), wk = 0.0029762 k( 282) = ( 0.5000000 0.5000000 -0.1413344), wk = 0.0029762 k( 283) = ( 0.5000000 0.5000000 -0.1510280), wk = 0.0029762 k( 284) = ( 0.5000000 0.5000000 -0.1607217), wk = 0.0029762 k( 285) = ( 0.5000000 0.5000000 -0.1704154), wk = 0.0029762 k( 286) = ( 0.5000000 0.5000000 -0.1801090), wk = 0.0029762 k( 287) = ( 0.5000000 0.5000000 -0.1898027), wk = 0.0029762 k( 288) = ( 0.5000000 0.5000000 -0.1994964), wk = 0.0029762 k( 289) = ( 0.5000000 0.5000000 -0.2091900), wk = 0.0029762 k( 290) = ( 0.5000000 0.5000000 -0.2188837), wk = 0.0029762 k( 291) = ( 0.5000000 0.5000000 -0.2285774), wk = 0.0029762 k( 292) = ( 0.5000000 0.5000000 -0.2382710), wk = 0.0029762 k( 293) = ( 0.5000000 0.5000000 -0.2479647), wk = 0.0029762 k( 294) = ( 0.5000000 0.5000000 -0.2576584), wk = 0.0029762 k( 295) = ( 0.5000000 0.5000000 -0.2673520), wk = 0.0029762 k( 296) = ( 0.5000000 0.5000000 -0.2770457), wk = 0.0029762 k( 297) = ( 0.5000000 0.5000000 -0.2867394), wk = 0.0029762 k( 298) = ( 0.5000000 0.5000000 -0.2964330), wk = 0.0029762 k( 299) = ( 0.5000000 0.5000000 -0.3061267), wk = 0.0029762 k( 300) = ( 0.5000000 0.5000000 -0.3158204), wk = 0.0029762 k( 301) = ( 0.5000000 0.5000000 -0.3255140), wk = 0.0029762 k( 302) = ( 0.5000000 0.5000000 -0.3352077), wk = 0.0029762 k( 303) = ( 0.5000000 0.5000000 -0.3449014), wk = 0.0029762 k( 304) = ( 0.5000000 0.5000000 -0.3545950), wk = 0.0029762 k( 305) = ( 0.5000000 0.5000000 -0.3642887), wk = 0.0029762 k( 306) = ( 0.5000000 0.5000000 -0.3739824), wk = 0.0029762 k( 307) = ( 0.5000000 0.5000000 -0.3836760), wk = 0.0029762 k( 308) = ( 0.5000000 0.5000000 -0.3933697), wk = 0.0029762 k( 309) = ( 0.5000000 0.5000000 -0.4030633), wk = 0.0029762 k( 310) = ( 0.5000000 0.5000000 -0.4127570), wk = 0.0029762 k( 311) = ( 0.5000000 0.5000000 -0.4224507), wk = 0.0029762 k( 312) = ( 0.5000000 0.5000000 -0.4321443), wk = 0.0029762 k( 313) = ( 0.5000000 0.5000000 -0.4418380), wk = 0.0029762 k( 314) = ( 0.5000000 0.5000000 -0.4515317), wk = 0.0029762 k( 315) = ( 0.5000000 0.5000000 -0.4612253), wk = 0.0029762 k( 316) = ( 0.5000000 0.5000000 -0.4709190), wk = 0.0029762 k( 317) = ( 0.5000000 0.5000000 -0.4806127), wk = 0.0029762 k( 318) = ( 0.5000000 0.5000000 -0.4903063), wk = 0.0029762 k( 319) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029762 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029762 k( 321) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0029762 k( 322) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0029762 k( 323) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0029762 k( 324) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029762 k( 325) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0029762 k( 326) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0029762 k( 327) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0029762 k( 328) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029762 k( 329) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0029762 k( 330) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0029762 k( 331) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0029762 k( 332) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029762 k( 333) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0029762 k( 334) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0029762 k( 335) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0029762 k( 336) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029762 Dense grid: 96271 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 25785 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 190, 48) NL pseudopotentials 0.25 Mb ( 95, 170) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.02 Mb ( 2674) G-vector shells 0.01 Mb ( 1230) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 190, 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 : ./SrxSiAux2.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 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.1 secs Computing kpt #: 10 total cpu time spent up to now is 10.0 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 12.2 secs Computing kpt #: 13 total cpu time spent up to now is 13.1 secs Computing kpt #: 14 total cpu time spent up to now is 13.9 secs Computing kpt #: 15 total cpu time spent up to now is 14.8 secs Computing kpt #: 16 total cpu time spent up to now is 15.6 secs Computing kpt #: 17 total cpu time spent up to now is 16.5 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 18.1 secs Computing kpt #: 20 total cpu time spent up to now is 18.9 secs Computing kpt #: 21 total cpu time spent up to now is 19.6 secs Computing kpt #: 22 total cpu time spent up to now is 20.4 secs Computing kpt #: 23 total cpu time spent up to now is 21.3 secs Computing kpt #: 24 total cpu time spent up to now is 22.2 secs Computing kpt #: 25 total cpu time spent up to now is 23.0 secs Computing kpt #: 26 total cpu time spent up to now is 24.3 secs Computing kpt #: 27 total cpu time spent up to now is 25.1 secs Computing kpt #: 28 total cpu time spent up to now is 26.0 secs Computing kpt #: 29 total cpu time spent up to now is 26.8 secs Computing kpt #: 30 total cpu time spent up to now is 27.8 secs Computing kpt #: 31 total cpu time spent up to now is 28.8 secs Computing kpt #: 32 total cpu time spent up to now is 29.8 secs Computing kpt #: 33 total cpu time spent up to now is 30.5 secs Computing kpt #: 34 total cpu time spent up to now is 31.2 secs Computing kpt #: 35 total cpu time spent up to now is 31.9 secs Computing kpt #: 36 total cpu time spent up to now is 32.5 secs Computing kpt #: 37 total cpu time spent up to now is 33.2 secs Computing kpt #: 38 total cpu time spent up to now is 33.8 secs Computing kpt #: 39 total cpu time spent up to now is 34.5 secs Computing kpt #: 40 total cpu time spent up to now is 35.1 secs Computing kpt #: 41 total cpu time spent up to now is 35.7 secs Computing kpt #: 42 total cpu time spent up to now is 36.3 secs Computing kpt #: 43 total cpu time spent up to now is 36.9 secs Computing kpt #: 44 total cpu time spent up to now is 37.6 secs Computing kpt #: 45 total cpu time spent up to now is 38.2 secs Computing kpt #: 46 total cpu time spent up to now is 38.7 secs Computing kpt #: 47 total cpu time spent up to now is 39.3 secs Computing kpt #: 48 total cpu time spent up to now is 39.8 secs Computing kpt #: 49 total cpu time spent up to now is 40.4 secs Computing kpt #: 50 total cpu time spent up to now is 41.0 secs Computing kpt #: 51 total cpu time spent up to now is 41.6 secs Computing kpt #: 52 total cpu time spent up to now is 42.2 secs Computing kpt #: 53 total cpu time spent up to now is 42.8 secs Computing kpt #: 54 total cpu time spent up to now is 43.4 secs Computing kpt #: 55 total cpu time spent up to now is 44.0 secs Computing kpt #: 56 total cpu time spent up to now is 44.6 secs Computing kpt #: 57 total cpu time spent up to now is 45.2 secs Computing kpt #: 58 total cpu time spent up to now is 45.9 secs Computing kpt #: 59 total cpu time spent up to now is 46.5 secs Computing kpt #: 60 total cpu time spent up to now is 47.2 secs Computing kpt #: 61 total cpu time spent up to now is 47.9 secs Computing kpt #: 62 total cpu time spent up to now is 48.7 secs Computing kpt #: 63 total cpu time spent up to now is 49.5 secs Computing kpt #: 64 total cpu time spent up to now is 50.4 secs Computing kpt #: 65 total cpu time spent up to now is 51.8 secs Computing kpt #: 66 total cpu time spent up to now is 52.8 secs Computing kpt #: 67 total cpu time spent up to now is 53.7 secs Computing kpt #: 68 total cpu time spent up to now is 54.5 secs Computing kpt #: 69 total cpu time spent up to now is 55.3 secs Computing kpt #: 70 total cpu time spent up to now is 56.0 secs Computing kpt #: 71 total cpu time spent up to now is 56.7 secs Computing kpt #: 72 total cpu time spent up to now is 57.4 secs Computing kpt #: 73 total cpu time spent up to now is 58.1 secs Computing kpt #: 74 total cpu time spent up to now is 58.7 secs Computing kpt #: 75 total cpu time spent up to now is 59.4 secs Computing kpt #: 76 total cpu time spent up to now is 60.1 secs Computing kpt #: 77 total cpu time spent up to now is 60.8 secs Computing kpt #: 78 total cpu time spent up to now is 61.5 secs Computing kpt #: 79 total cpu time spent up to now is 62.2 secs Computing kpt #: 80 total cpu time spent up to now is 62.9 secs Computing kpt #: 81 total cpu time spent up to now is 63.6 secs Computing kpt #: 82 total cpu time spent up to now is 64.3 secs Computing kpt #: 83 total cpu time spent up to now is 65.0 secs Computing kpt #: 84 total cpu time spent up to now is 65.7 secs Computing kpt #: 85 total cpu time spent up to now is 66.4 secs Computing kpt #: 86 total cpu time spent up to now is 67.1 secs Computing kpt #: 87 total cpu time spent up to now is 67.8 secs Computing kpt #: 88 total cpu time spent up to now is 68.5 secs Computing kpt #: 89 total cpu time spent up to now is 69.2 secs Computing kpt #: 90 total cpu time spent up to now is 69.9 secs Computing kpt #: 91 total cpu time spent up to now is 70.6 secs Computing kpt #: 92 total cpu time spent up to now is 71.3 secs Computing kpt #: 93 total cpu time spent up to now is 72.0 secs Computing kpt #: 94 total cpu time spent up to now is 72.7 secs Computing kpt #: 95 total cpu time spent up to now is 73.4 secs Computing kpt #: 96 total cpu time spent up to now is 74.1 secs Computing kpt #: 97 total cpu time spent up to now is 74.8 secs Computing kpt #: 98 total cpu time spent up to now is 75.6 secs Computing kpt #: 99 total cpu time spent up to now is 76.3 secs Computing kpt #: 100 total cpu time spent up to now is 76.9 secs Computing kpt #: 101 total cpu time spent up to now is 77.8 secs Computing kpt #: 102 total cpu time spent up to now is 78.5 secs Computing kpt #: 103 total cpu time spent up to now is 79.3 secs Computing kpt #: 104 total cpu time spent up to now is 80.1 secs Computing kpt #: 105 total cpu time spent up to now is 81.0 secs Computing kpt #: 106 total cpu time spent up to now is 81.8 secs Computing kpt #: 107 total cpu time spent up to now is 82.7 secs Computing kpt #: 108 total cpu time spent up to now is 83.6 secs Computing kpt #: 109 total cpu time spent up to now is 84.4 secs Computing kpt #: 110 total cpu time spent up to now is 85.3 secs Computing kpt #: 111 total cpu time spent up to now is 86.1 secs Computing kpt #: 112 total cpu time spent up to now is 87.1 secs Computing kpt #: 113 total cpu time spent up to now is 88.1 secs Computing kpt #: 114 total cpu time spent up to now is 89.0 secs Computing kpt #: 115 total cpu time spent up to now is 89.8 secs Computing kpt #: 116 total cpu time spent up to now is 90.6 secs Computing kpt #: 117 total cpu time spent up to now is 91.3 secs Computing kpt #: 118 total cpu time spent up to now is 92.0 secs Computing kpt #: 119 total cpu time spent up to now is 92.7 secs Computing kpt #: 120 total cpu time spent up to now is 93.3 secs Computing kpt #: 121 total cpu time spent up to now is 94.0 secs Computing kpt #: 122 total cpu time spent up to now is 94.6 secs Computing kpt #: 123 total cpu time spent up to now is 95.3 secs Computing kpt #: 124 total cpu time spent up to now is 95.9 secs Computing kpt #: 125 total cpu time spent up to now is 96.6 secs Computing kpt #: 126 total cpu time spent up to now is 97.3 secs Computing kpt #: 127 total cpu time spent up to now is 98.0 secs Computing kpt #: 128 total cpu time spent up to now is 98.7 secs Computing kpt #: 129 total cpu time spent up to now is 99.4 secs Computing kpt #: 130 total cpu time spent up to now is 100.5 secs Computing kpt #: 131 total cpu time spent up to now is 101.2 secs Computing kpt #: 132 total cpu time spent up to now is 101.9 secs Computing kpt #: 133 total cpu time spent up to now is 102.6 secs Computing kpt #: 134 total cpu time spent up to now is 103.2 secs Computing kpt #: 135 total cpu time spent up to now is 103.9 secs Computing kpt #: 136 total cpu time spent up to now is 104.6 secs Computing kpt #: 137 total cpu time spent up to now is 105.2 secs Computing kpt #: 138 total cpu time spent up to now is 105.8 secs Computing kpt #: 139 total cpu time spent up to now is 106.4 secs Computing kpt #: 140 total cpu time spent up to now is 107.0 secs Computing kpt #: 141 total cpu time spent up to now is 107.6 secs Computing kpt #: 142 total cpu time spent up to now is 108.1 secs Computing kpt #: 143 total cpu time spent up to now is 108.8 secs Computing kpt #: 144 total cpu time spent up to now is 109.4 secs Computing kpt #: 145 total cpu time spent up to now is 110.0 secs Computing kpt #: 146 total cpu time spent up to now is 110.6 secs Computing kpt #: 147 total cpu time spent up to now is 111.2 secs Computing kpt #: 148 total cpu time spent up to now is 111.8 secs Computing kpt #: 149 total cpu time spent up to now is 112.3 secs Computing kpt #: 150 total cpu time spent up to now is 112.9 secs Computing kpt #: 151 total cpu time spent up to now is 113.5 secs Computing kpt #: 152 total cpu time spent up to now is 114.1 secs Computing kpt #: 153 total cpu time spent up to now is 114.8 secs Computing kpt #: 154 total cpu time spent up to now is 115.4 secs Computing kpt #: 155 total cpu time spent up to now is 115.9 secs Computing kpt #: 156 total cpu time spent up to now is 116.6 secs Computing kpt #: 157 total cpu time spent up to now is 117.3 secs Computing kpt #: 158 total cpu time spent up to now is 117.9 secs Computing kpt #: 159 total cpu time spent up to now is 118.7 secs Computing kpt #: 160 total cpu time spent up to now is 119.5 secs Computing kpt #: 161 total cpu time spent up to now is 120.3 secs Computing kpt #: 162 total cpu time spent up to now is 120.9 secs Computing kpt #: 163 total cpu time spent up to now is 121.6 secs Computing kpt #: 164 total cpu time spent up to now is 122.3 secs Computing kpt #: 165 total cpu time spent up to now is 122.9 secs Computing kpt #: 166 total cpu time spent up to now is 123.5 secs Computing kpt #: 167 total cpu time spent up to now is 124.1 secs Computing kpt #: 168 total cpu time spent up to now is 124.8 secs Computing kpt #: 169 total cpu time spent up to now is 125.4 secs Computing kpt #: 170 total cpu time spent up to now is 126.1 secs Computing kpt #: 171 total cpu time spent up to now is 126.7 secs Computing kpt #: 172 total cpu time spent up to now is 127.4 secs Computing kpt #: 173 total cpu time spent up to now is 128.0 secs Computing kpt #: 174 total cpu time spent up to now is 128.7 secs Computing kpt #: 175 total cpu time spent up to now is 129.4 secs Computing kpt #: 176 total cpu time spent up to now is 130.0 secs Computing kpt #: 177 total cpu time spent up to now is 130.7 secs Computing kpt #: 178 total cpu time spent up to now is 131.4 secs Computing kpt #: 179 total cpu time spent up to now is 132.1 secs Computing kpt #: 180 total cpu time spent up to now is 132.8 secs Computing kpt #: 181 total cpu time spent up to now is 133.6 secs Computing kpt #: 182 total cpu time spent up to now is 134.3 secs Computing kpt #: 183 total cpu time spent up to now is 135.1 secs Computing kpt #: 184 total cpu time spent up to now is 135.8 secs Computing kpt #: 185 total cpu time spent up to now is 136.6 secs Computing kpt #: 186 total cpu time spent up to now is 137.3 secs Computing kpt #: 187 total cpu time spent up to now is 138.0 secs Computing kpt #: 188 total cpu time spent up to now is 138.7 secs Computing kpt #: 189 total cpu time spent up to now is 139.4 secs Computing kpt #: 190 total cpu time spent up to now is 140.1 secs Computing kpt #: 191 total cpu time spent up to now is 140.9 secs Computing kpt #: 192 total cpu time spent up to now is 141.6 secs Computing kpt #: 193 total cpu time spent up to now is 142.3 secs Computing kpt #: 194 total cpu time spent up to now is 143.0 secs Computing kpt #: 195 total cpu time spent up to now is 143.7 secs Computing kpt #: 196 total cpu time spent up to now is 144.4 secs Computing kpt #: 197 total cpu time spent up to now is 145.1 secs Computing kpt #: 198 total cpu time spent up to now is 145.8 secs Computing kpt #: 199 total cpu time spent up to now is 146.6 secs Computing kpt #: 200 total cpu time spent up to now is 147.3 secs Computing kpt #: 201 total cpu time spent up to now is 148.0 secs Computing kpt #: 202 total cpu time spent up to now is 149.3 secs Computing kpt #: 203 total cpu time spent up to now is 150.0 secs Computing kpt #: 204 total cpu time spent up to now is 150.7 secs Computing kpt #: 205 total cpu time spent up to now is 151.3 secs Computing kpt #: 206 total cpu time spent up to now is 152.0 secs Computing kpt #: 207 total cpu time spent up to now is 152.6 secs Computing kpt #: 208 total cpu time spent up to now is 153.1 secs Computing kpt #: 209 total cpu time spent up to now is 153.7 secs Computing kpt #: 210 total cpu time spent up to now is 154.3 secs Computing kpt #: 211 total cpu time spent up to now is 154.8 secs Computing kpt #: 212 total cpu time spent up to now is 155.4 secs Computing kpt #: 213 total cpu time spent up to now is 156.0 secs Computing kpt #: 214 total cpu time spent up to now is 156.5 secs Computing kpt #: 215 total cpu time spent up to now is 157.1 secs Computing kpt #: 216 total cpu time spent up to now is 157.7 secs Computing kpt #: 217 total cpu time spent up to now is 158.2 secs Computing kpt #: 218 total cpu time spent up to now is 158.8 secs Computing kpt #: 219 total cpu time spent up to now is 159.3 secs Computing kpt #: 220 total cpu time spent up to now is 159.9 secs Computing kpt #: 221 total cpu time spent up to now is 160.4 secs Computing kpt #: 222 total cpu time spent up to now is 161.0 secs Computing kpt #: 223 total cpu time spent up to now is 161.6 secs Computing kpt #: 224 total cpu time spent up to now is 162.3 secs Computing kpt #: 225 total cpu time spent up to now is 162.8 secs Computing kpt #: 226 total cpu time spent up to now is 163.5 secs Computing kpt #: 227 total cpu time spent up to now is 164.1 secs Computing kpt #: 228 total cpu time spent up to now is 164.8 secs Computing kpt #: 229 total cpu time spent up to now is 165.4 secs Computing kpt #: 230 total cpu time spent up to now is 166.1 secs Computing kpt #: 231 total cpu time spent up to now is 166.8 secs Computing kpt #: 232 total cpu time spent up to now is 167.6 secs Computing kpt #: 233 total cpu time spent up to now is 168.5 secs Computing kpt #: 234 total cpu time spent up to now is 169.6 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 171.2 secs Computing kpt #: 236 total cpu time spent up to now is 172.1 secs Computing kpt #: 237 total cpu time spent up to now is 172.8 secs Computing kpt #: 238 total cpu time spent up to now is 173.5 secs Computing kpt #: 239 total cpu time spent up to now is 174.2 secs Computing kpt #: 240 total cpu time spent up to now is 174.8 secs Computing kpt #: 241 total cpu time spent up to now is 175.5 secs Computing kpt #: 242 total cpu time spent up to now is 176.1 secs Computing kpt #: 243 total cpu time spent up to now is 176.7 secs Computing kpt #: 244 total cpu time spent up to now is 177.4 secs Computing kpt #: 245 total cpu time spent up to now is 178.0 secs Computing kpt #: 246 total cpu time spent up to now is 178.6 secs Computing kpt #: 247 total cpu time spent up to now is 179.3 secs Computing kpt #: 248 total cpu time spent up to now is 179.9 secs Computing kpt #: 249 total cpu time spent up to now is 180.6 secs Computing kpt #: 250 total cpu time spent up to now is 181.3 secs Computing kpt #: 251 total cpu time spent up to now is 182.0 secs Computing kpt #: 252 total cpu time spent up to now is 182.9 secs Computing kpt #: 253 total cpu time spent up to now is 183.7 secs Computing kpt #: 254 total cpu time spent up to now is 184.8 secs Computing kpt #: 255 total cpu time spent up to now is 186.0 secs Computing kpt #: 256 total cpu time spent up to now is 186.9 secs Computing kpt #: 257 total cpu time spent up to now is 188.2 secs Computing kpt #: 258 total cpu time spent up to now is 189.1 secs Computing kpt #: 259 total cpu time spent up to now is 189.7 secs Computing kpt #: 260 total cpu time spent up to now is 190.4 secs Computing kpt #: 261 total cpu time spent up to now is 191.1 secs Computing kpt #: 262 total cpu time spent up to now is 191.7 secs Computing kpt #: 263 total cpu time spent up to now is 192.4 secs Computing kpt #: 264 total cpu time spent up to now is 193.0 secs Computing kpt #: 265 total cpu time spent up to now is 193.7 secs Computing kpt #: 266 total cpu time spent up to now is 194.4 secs Computing kpt #: 267 total cpu time spent up to now is 195.1 secs Computing kpt #: 268 total cpu time spent up to now is 195.7 secs Computing kpt #: 269 total cpu time spent up to now is 196.4 secs Computing kpt #: 270 total cpu time spent up to now is 197.0 secs Computing kpt #: 271 total cpu time spent up to now is 197.7 secs Computing kpt #: 272 total cpu time spent up to now is 198.4 secs Computing kpt #: 273 total cpu time spent up to now is 199.1 secs Computing kpt #: 274 total cpu time spent up to now is 199.9 secs Computing kpt #: 275 total cpu time spent up to now is 200.8 secs Computing kpt #: 276 total cpu time spent up to now is 201.6 secs Computing kpt #: 277 total cpu time spent up to now is 202.4 secs Computing kpt #: 278 total cpu time spent up to now is 203.5 secs Computing kpt #: 279 total cpu time spent up to now is 204.4 secs Computing kpt #: 280 total cpu time spent up to now is 205.2 secs Computing kpt #: 281 total cpu time spent up to now is 205.9 secs Computing kpt #: 282 total cpu time spent up to now is 206.6 secs Computing kpt #: 283 total cpu time spent up to now is 207.2 secs Computing kpt #: 284 total cpu time spent up to now is 207.9 secs Computing kpt #: 285 total cpu time spent up to now is 208.6 secs Computing kpt #: 286 total cpu time spent up to now is 209.2 secs Computing kpt #: 287 total cpu time spent up to now is 210.0 secs Computing kpt #: 288 total cpu time spent up to now is 210.6 secs Computing kpt #: 289 total cpu time spent up to now is 211.4 secs Computing kpt #: 290 total cpu time spent up to now is 212.1 secs Computing kpt #: 291 total cpu time spent up to now is 212.8 secs Computing kpt #: 292 total cpu time spent up to now is 213.5 secs Computing kpt #: 293 total cpu time spent up to now is 214.2 secs Computing kpt #: 294 total cpu time spent up to now is 214.9 secs Computing kpt #: 295 total cpu time spent up to now is 215.6 secs Computing kpt #: 296 total cpu time spent up to now is 216.3 secs Computing kpt #: 297 total cpu time spent up to now is 216.9 secs Computing kpt #: 298 total cpu time spent up to now is 217.6 secs Computing kpt #: 299 total cpu time spent up to now is 218.3 secs Computing kpt #: 300 total cpu time spent up to now is 218.9 secs Computing kpt #: 301 total cpu time spent up to now is 219.6 secs Computing kpt #: 302 total cpu time spent up to now is 220.3 secs Computing kpt #: 303 total cpu time spent up to now is 221.0 secs Computing kpt #: 304 total cpu time spent up to now is 221.6 secs Computing kpt #: 305 total cpu time spent up to now is 222.3 secs Computing kpt #: 306 total cpu time spent up to now is 223.0 secs Computing kpt #: 307 total cpu time spent up to now is 223.6 secs Computing kpt #: 308 total cpu time spent up to now is 224.3 secs Computing kpt #: 309 total cpu time spent up to now is 225.1 secs Computing kpt #: 310 total cpu time spent up to now is 225.7 secs Computing kpt #: 311 total cpu time spent up to now is 226.4 secs Computing kpt #: 312 total cpu time spent up to now is 227.1 secs Computing kpt #: 313 total cpu time spent up to now is 227.8 secs Computing kpt #: 314 total cpu time spent up to now is 228.4 secs Computing kpt #: 315 total cpu time spent up to now is 229.1 secs Computing kpt #: 316 total cpu time spent up to now is 229.8 secs Computing kpt #: 317 total cpu time spent up to now is 230.3 secs Computing kpt #: 318 total cpu time spent up to now is 231.0 secs Computing kpt #: 319 total cpu time spent up to now is 231.6 secs Computing kpt #: 320 total cpu time spent up to now is 232.2 secs Computing kpt #: 321 total cpu time spent up to now is 232.8 secs Computing kpt #: 322 total cpu time spent up to now is 233.4 secs Computing kpt #: 323 total cpu time spent up to now is 234.0 secs Computing kpt #: 324 total cpu time spent up to now is 234.6 secs Computing kpt #: 325 total cpu time spent up to now is 235.2 secs Computing kpt #: 326 total cpu time spent up to now is 235.9 secs Computing kpt #: 327 total cpu time spent up to now is 236.5 secs Computing kpt #: 328 total cpu time spent up to now is 237.1 secs Computing kpt #: 329 total cpu time spent up to now is 237.8 secs Computing kpt #: 330 total cpu time spent up to now is 238.4 secs Computing kpt #: 331 total cpu time spent up to now is 239.0 secs Computing kpt #: 332 total cpu time spent up to now is 239.7 secs Computing kpt #: 333 total cpu time spent up to now is 240.4 secs Computing kpt #: 334 total cpu time spent up to now is 241.1 secs Computing kpt #: 335 total cpu time spent up to now is 241.8 secs Computing kpt #: 336 total cpu time spent up to now is 243.1 secs ethr = 2.50E-08, avg # of iterations = 30.2 total cpu time spent up to now is 243.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3189 PWs) bands (ev): -22.9547 -22.9547 -5.8221 -5.8221 -4.7274 -4.7274 -4.6555 -4.6555 0.4656 0.4656 2.6342 2.6342 4.8019 4.8019 4.9038 4.9038 4.9942 4.9942 5.5686 5.5686 6.5224 6.5224 6.8467 6.8467 7.3087 7.3087 7.5179 7.5179 7.8889 7.8889 8.6091 8.6091 9.0269 9.0269 9.4250 9.4250 10.0491 10.0491 12.2456 12.2456 12.5249 12.5249 13.5125 13.5125 13.5463 13.5463 15.5456 15.5456 k = 0.0000 0.0000 0.0188 ( 3193 PWs) bands (ev): -22.9547 -22.9547 -5.8221 -5.8221 -4.7275 -4.7275 -4.6557 -4.6557 0.4673 0.4673 2.6350 2.6350 4.8020 4.8020 4.9041 4.9041 4.9953 4.9953 5.5685 5.5685 6.5214 6.5214 6.8450 6.8450 7.3082 7.3082 7.5136 7.5136 7.8930 7.8930 8.6035 8.6035 9.0273 9.0273 9.4246 9.4246 10.0439 10.0439 12.2598 12.2598 12.5174 12.5174 13.5095 13.5095 13.5499 13.5499 15.5530 15.5530 k = 0.0000 0.0000 0.0377 ( 3197 PWs) bands (ev): -22.9547 -22.9547 -5.8223 -5.8223 -4.7276 -4.7276 -4.6561 -4.6561 0.4725 0.4725 2.6372 2.6372 4.8021 4.8021 4.9051 4.9051 4.9985 4.9985 5.5684 5.5684 6.5183 6.5183 6.8401 6.8401 7.3066 7.3066 7.5011 7.5011 7.9045 7.9045 8.5872 8.5872 9.0282 9.0282 9.4234 9.4234 10.0287 10.0287 12.3014 12.3014 12.4957 12.4957 13.4869 13.4869 13.5740 13.5740 15.5742 15.5742 k = 0.0000 0.0000 0.0565 ( 3213 PWs) bands (ev): -22.9547 -22.9547 -5.8226 -5.8226 -4.7278 -4.7278 -4.6568 -4.6568 0.4811 0.4811 2.6409 2.6409 4.8021 4.8021 4.9072 4.9072 5.0037 5.0037 5.5681 5.5681 6.5130 6.5130 6.8323 6.8323 7.3040 7.3040 7.4820 7.4820 7.9211 7.9211 8.5613 8.5613 9.0295 9.0295 9.4214 9.4214 10.0054 10.0054 12.3669 12.3669 12.4639 12.4639 13.4435 13.4435 13.6194 13.6194 15.6068 15.6068 k = 0.0000 0.0000 0.0754 ( 3211 PWs) bands (ev): -22.9546 -22.9546 -5.8230 -5.8230 -4.7281 -4.7281 -4.6577 -4.6577 0.4932 0.4932 2.6461 2.6461 4.8015 4.8015 4.9107 4.9107 5.0107 5.0107 5.5679 5.5679 6.5054 6.5054 6.8220 6.8220 7.3004 7.3004 7.4577 7.4577 7.9398 7.9398 8.5281 8.5281 9.0307 9.0307 9.4188 9.4188 9.9761 9.9761 12.4063 12.4063 12.4717 12.4717 13.3850 13.3850 13.6804 13.6804 15.6472 15.6472 k = 0.0000 0.0000 0.0942 ( 3217 PWs) bands (ev): -22.9545 -22.9545 -5.8235 -5.8235 -4.7284 -4.7284 -4.6589 -4.6589 0.5087 0.5087 2.6527 2.6527 4.8000 4.8000 4.9161 4.9161 5.0194 5.0194 5.5677 5.5677 6.4953 6.4953 6.8097 6.8097 7.2957 7.2957 7.4294 7.4294 7.9567 7.9567 8.4907 8.4907 9.0315 9.0315 9.4156 9.4156 9.9434 9.9434 12.3614 12.3614 12.5766 12.5766 13.3151 13.3151 13.7537 13.7537 15.6916 15.6916 k = 0.0000 0.0000 0.1130 ( 3213 PWs) bands (ev): -22.9544 -22.9544 -5.8241 -5.8241 -4.7289 -4.7289 -4.6604 -4.6604 0.5275 0.5275 2.6607 2.6607 4.7974 4.7974 4.9237 4.9237 5.0295 5.0295 5.5676 5.5676 6.4827 6.4827 6.7961 6.7961 7.2898 7.2898 7.3979 7.3979 7.9675 7.9675 8.4535 8.4535 9.0315 9.0315 9.4118 9.4118 9.9092 9.9092 12.3066 12.3066 12.7027 12.7027 13.2373 13.2373 13.8369 13.8369 15.7366 15.7366 k = 0.0000 0.0000 0.1319 ( 3213 PWs) bands (ev): -22.9543 -22.9543 -5.8248 -5.8248 -4.7294 -4.7294 -4.6621 -4.6621 0.5496 0.5496 2.6702 2.6702 4.7933 4.7933 4.9336 4.9336 5.0410 5.0410 5.5677 5.5677 6.4675 6.4675 6.7816 6.7816 7.2825 7.2825 7.3638 7.3638 7.9671 7.9671 8.4223 8.4223 9.0306 9.0306 9.4077 9.4077 9.8753 9.8753 12.2480 12.2480 12.8405 12.8405 13.1563 13.1563 13.9281 13.9281 15.7795 15.7795 k = 0.0000 0.0000 0.1507 ( 3223 PWs) bands (ev): -22.9542 -22.9542 -5.8256 -5.8256 -4.7300 -4.7300 -4.6640 -4.6640 0.5751 0.5751 2.6810 2.6810 4.7877 4.7877 4.9457 4.9457 5.0536 5.0536 5.5681 5.5681 6.4497 6.4497 6.7666 6.7666 7.2730 7.2730 7.3278 7.3278 7.9510 7.9510 8.4024 8.4024 9.0284 9.0284 9.4032 9.4032 9.8428 9.8428 12.1872 12.1872 12.9653 12.9653 13.0961 13.0961 14.0261 14.0261 15.8187 15.8187 k = 0.0000 0.0000 0.1695 ( 3217 PWs) bands (ev): -22.9541 -22.9541 -5.8265 -5.8265 -4.7306 -4.7306 -4.6661 -4.6661 0.6037 0.6037 2.6932 2.6932 4.7806 4.7806 4.9600 4.9600 5.0673 5.0673 5.5689 5.5689 6.4296 6.4296 6.7511 6.7511 7.2581 7.2581 7.2934 7.2934 7.9180 7.9180 8.3964 8.3964 9.0248 9.0248 9.3985 9.3985 9.8127 9.8127 12.1251 12.1251 12.9438 12.9438 13.1897 13.1897 14.1301 14.1301 15.8525 15.8525 k = 0.0000 0.0000 0.1884 ( 3217 PWs) bands (ev): -22.9539 -22.9539 -5.8275 -5.8275 -4.7313 -4.7313 -4.6685 -4.6685 0.6354 0.6354 2.7067 2.7067 4.7720 4.7720 4.9761 4.9761 5.0821 5.0821 5.5702 5.5702 6.4073 6.4073 6.7349 6.7349 7.2278 7.2278 7.2701 7.2701 7.8711 7.8711 8.4028 8.4028 9.0196 9.0196 9.3937 9.3937 9.7855 9.7855 12.0624 12.0624 12.8581 12.8581 13.3544 13.3544 14.2392 14.2392 15.8728 15.8728 k = 0.0000 0.0000 0.2072 ( 3213 PWs) bands (ev): -22.9537 -22.9537 -5.8286 -5.8286 -4.7321 -4.7321 -4.6710 -4.6710 0.6702 0.6702 2.7215 2.7215 4.7619 4.7619 4.9938 4.9938 5.0978 5.0978 5.5720 5.5720 6.3835 6.3835 6.7175 6.7175 7.1842 7.1842 7.2560 7.2560 7.8155 7.8155 8.4175 8.4175 9.0127 9.0127 9.3887 9.3887 9.7617 9.7617 11.9995 11.9995 12.7664 12.7664 13.5318 13.5318 14.3531 14.3531 15.8649 15.8650 k = 0.0000 0.0000 0.2261 ( 3211 PWs) bands (ev): -22.9536 -22.9536 -5.8297 -5.8297 -4.7329 -4.7329 -4.6736 -4.6736 0.7080 0.7080 2.7375 2.7375 4.7504 4.7504 5.0126 5.0126 5.1144 5.1144 5.5744 5.5744 6.3586 6.3586 6.6978 6.6978 7.1350 7.1350 7.2437 7.2437 7.7564 7.7564 8.4368 8.4368 9.0039 9.0039 9.3838 9.3838 9.7414 9.7414 11.9366 11.9366 12.6738 12.6738 13.7160 13.7160 14.4713 14.4713 15.8513 15.8513 k = 0.0000 0.0000 0.2449 ( 3207 PWs) bands (ev): -22.9534 -22.9534 -5.8310 -5.8310 -4.7338 -4.7338 -4.6764 -4.6764 0.7487 0.7487 2.7546 2.7546 4.7374 4.7374 5.0323 5.0323 5.1319 5.1319 5.5773 5.5773 6.3331 6.3331 6.6744 6.6744 7.0835 7.0835 7.2316 7.2316 7.6977 7.6977 8.4575 8.4575 8.9930 8.9930 9.3787 9.3787 9.7252 9.7252 11.8739 11.8739 12.5820 12.5820 13.9052 13.9052 14.5937 14.5937 15.8395 15.8395 k = 0.0000 0.0000 0.2637 ( 3197 PWs) bands (ev): -22.9532 -22.9532 -5.8322 -5.8322 -4.7348 -4.7348 -4.6794 -4.6794 0.7921 0.7921 2.7729 2.7729 4.7230 4.7230 5.0525 5.0525 5.1501 5.1501 5.5809 5.5809 6.3076 6.3076 6.6453 6.6453 7.0319 7.0319 7.2191 7.2191 7.6421 7.6421 8.4774 8.4774 8.9800 8.9800 9.3737 9.3737 9.7132 9.7132 11.8116 11.8116 12.4916 12.4916 14.0980 14.0980 14.7201 14.7201 15.8307 15.8307 k = 0.0000 0.0000 0.2826 ( 3201 PWs) bands (ev): -22.9530 -22.9530 -5.8336 -5.8336 -4.7357 -4.7357 -4.6824 -4.6824 0.8382 0.8382 2.7922 2.7922 4.7073 4.7073 5.0727 5.0727 5.1690 5.1690 5.5850 5.5850 6.2825 6.2825 6.6082 6.6082 6.9833 6.9833 7.2063 7.2063 7.5911 7.5911 8.4949 8.4949 8.9647 8.9647 9.3685 9.3685 9.7058 9.7058 11.7497 11.7497 12.4031 12.4031 14.2931 14.2931 14.8504 14.8504 15.8255 15.8255 k = 0.0000 0.0000 0.3014 ( 3201 PWs) bands (ev): -22.9527 -22.9527 -5.8350 -5.8350 -4.7367 -4.7367 -4.6855 -4.6855 0.8868 0.8868 2.8124 2.8124 4.6902 4.6902 5.0927 5.0927 5.1885 5.1885 5.5894 5.5894 6.2581 6.2581 6.5619 6.5619 6.9405 6.9405 7.1932 7.1932 7.5453 7.5453 8.5087 8.5087 8.9471 8.9471 9.3633 9.3633 9.7032 9.7032 11.6883 11.6883 12.3167 12.3167 14.4895 14.4895 14.9848 14.9848 15.8239 15.8239 k = 0.0000 0.0000 0.3202 ( 3200 PWs) bands (ev): -22.9525 -22.9525 -5.8365 -5.8365 -4.7378 -4.7378 -4.6887 -4.6887 0.9379 0.9379 2.8336 2.8336 4.6718 4.6718 5.1119 5.1119 5.2085 5.2085 5.5940 5.5940 6.2344 6.2344 6.5065 6.5065 6.9049 6.9049 7.1800 7.1800 7.5048 7.5048 8.5178 8.5178 8.9274 8.9274 9.3580 9.3580 9.7057 9.7057 11.6274 11.6274 12.2324 12.2324 14.6858 14.6858 15.1233 15.1233 15.8251 15.8252 k = 0.0000 0.0000 0.3391 ( 3206 PWs) bands (ev): -22.9523 -22.9523 -5.8380 -5.8380 -4.7388 -4.7388 -4.6920 -4.6920 0.9912 0.9912 2.8556 2.8556 4.6522 4.6522 5.1299 5.1299 5.2288 5.2288 5.5981 5.5981 6.2112 6.2112 6.4447 6.4447 6.8764 6.8764 7.1669 7.1669 7.4693 7.4693 8.5217 8.5217 8.9056 8.9056 9.3526 9.3526 9.7132 9.7132 11.5669 11.5669 12.1502 12.1502 14.8804 14.8804 15.2664 15.2664 15.8252 15.8252 k = 0.0000 0.0000 0.3579 ( 3206 PWs) bands (ev): -22.9520 -22.9520 -5.8395 -5.8395 -4.7399 -4.7399 -4.6953 -4.6953 1.0466 1.0466 2.8783 2.8783 4.6314 4.6314 5.1461 5.1461 5.2493 5.2493 5.6013 5.6013 6.1872 6.1872 6.3811 6.3811 6.8539 6.8539 7.1540 7.1540 7.4385 7.4385 8.5199 8.5199 8.8818 8.8818 9.3470 9.3470 9.7256 9.7256 11.5069 11.5069 12.0700 12.0700 15.0712 15.0712 15.4144 15.4144 15.8049 15.8049 k = 0.0000 0.0000 0.3768 ( 3212 PWs) bands (ev): -22.9518 -22.9518 -5.8410 -5.8410 -4.7411 -4.7411 -4.6986 -4.6986 1.1040 1.1040 2.9016 2.9016 4.6096 4.6096 5.1600 5.1600 5.2700 5.2700 5.6024 5.6024 6.1598 6.1598 6.3225 6.3225 6.8357 6.8357 7.1418 7.1418 7.4119 7.4119 8.5120 8.5120 8.8564 8.8564 9.3413 9.3413 9.7428 9.7428 11.4473 11.4473 11.9913 11.9913 15.2546 15.2546 15.5653 15.5653 15.7410 15.7410 k = 0.0000 0.0000 0.3956 ( 3224 PWs) bands (ev): -22.9515 -22.9515 -5.8426 -5.8426 -4.7422 -4.7422 -4.7018 -4.7018 1.1632 1.1632 2.9255 2.9255 4.5869 4.5869 5.1710 5.1710 5.2907 5.2907 5.6001 5.6001 6.1254 6.1254 6.2766 6.2766 6.8205 6.8205 7.1305 7.1305 7.3890 7.3890 8.4982 8.4982 8.8296 8.8296 9.3355 9.3355 9.7644 9.7644 11.3880 11.3880 11.9138 11.9138 15.4218 15.4218 15.6302 15.6302 15.7488 15.7488 k = 0.0000 0.0000 0.4144 ( 3224 PWs) bands (ev): -22.9512 -22.9512 -5.8442 -5.8442 -4.7433 -4.7433 -4.7051 -4.7051 1.2240 1.2240 2.9497 2.9497 4.5635 4.5635 5.1782 5.1782 5.3116 5.3116 5.5924 5.5924 6.0844 6.0844 6.2470 6.2470 6.8075 6.8075 7.1204 7.1204 7.3695 7.3695 8.4785 8.4785 8.8017 8.8017 9.3296 9.3296 9.7899 9.7899 11.3292 11.3292 11.8370 11.8370 15.4822 15.4822 15.6351 15.6351 15.9074 15.9074 k = 0.0000 0.0000 0.4333 ( 3224 PWs) bands (ev): -22.9510 -22.9510 -5.8458 -5.8458 -4.7444 -4.7444 -4.7084 -4.7084 1.2862 1.2862 2.9743 2.9743 4.5394 4.5394 5.1806 5.1806 5.3325 5.3325 5.5777 5.5777 6.0434 6.0434 6.2311 6.2311 6.7959 6.7959 7.1118 7.1118 7.3531 7.3531 8.4531 8.4531 8.7729 8.7729 9.3236 9.3236 9.8189 9.8189 11.2706 11.2706 11.7605 11.7605 15.3933 15.3933 15.7648 15.7648 16.0201 16.0201 k = 0.0000 0.0000 0.4521 ( 3230 PWs) bands (ev): -22.9507 -22.9507 -5.8473 -5.8473 -4.7456 -4.7456 -4.7116 -4.7116 1.3495 1.3495 2.9991 2.9991 4.5148 4.5148 5.1769 5.1769 5.3535 5.3535 5.5550 5.5550 6.0095 6.0095 6.2242 6.2242 6.7857 6.7857 7.1050 7.1050 7.3394 7.3394 8.4225 8.4225 8.7435 8.7435 9.3175 9.3175 9.8509 9.8509 11.2123 11.2123 11.6837 11.6837 15.2924 15.2924 15.8831 15.8831 16.0963 16.0963 k = 0.0000 0.0000 0.4709 ( 3230 PWs) bands (ev): -22.9504 -22.9504 -5.8489 -5.8489 -4.7467 -4.7467 -4.7147 -4.7147 1.4139 1.4139 3.0240 3.0240 4.4899 4.4899 5.1655 5.1655 5.3746 5.3746 5.5259 5.5259 5.9862 5.9862 6.2234 6.2234 6.7765 6.7765 7.1000 7.1000 7.3282 7.3282 8.3873 8.3873 8.7136 8.7136 9.3114 9.3114 9.8855 9.8855 11.1543 11.1543 11.6060 11.6060 15.1960 15.1960 15.9638 15.9638 16.1693 16.1693 k = 0.0000 0.0000 0.4898 ( 3226 PWs) bands (ev): -22.9501 -22.9501 -5.8505 -5.8505 -4.7479 -4.7479 -4.7177 -4.7177 1.4790 1.4790 3.0489 3.0489 4.4649 4.4649 5.1445 5.1445 5.3958 5.3958 5.4944 5.4944 5.9735 5.9735 6.2269 6.2269 6.7687 6.7687 7.0971 7.0971 7.3193 7.3193 8.3478 8.3478 8.6835 8.6835 9.3052 9.3052 9.9222 9.9222 11.0963 11.0963 11.5269 11.5269 15.1076 15.1076 15.9659 15.9659 16.1380 16.1380 k = 0.0000 0.0000 0.5086 ( 3218 PWs) bands (ev): -22.9499 -22.9499 -5.8520 -5.8520 -4.7490 -4.7490 -4.7207 -4.7207 1.5446 1.5446 3.0736 3.0736 4.4400 4.4400 5.1124 5.1124 5.4164 5.4164 5.4657 5.4657 5.9690 5.9690 6.2335 6.2335 6.7624 6.7624 7.0964 7.0964 7.3126 7.3126 8.3047 8.3047 8.6533 8.6533 9.2990 9.2990 9.9605 9.9605 11.0384 11.0384 11.4460 11.4460 15.0288 15.0288 15.8666 15.8666 16.1759 16.1759 k = 0.0000 0.0000 0.5275 ( 3214 PWs) bands (ev): -22.9496 -22.9496 -5.8535 -5.8535 -4.7501 -4.7501 -4.7236 -4.7236 1.6105 1.6105 3.0980 3.0980 4.4152 4.4152 5.0691 5.0691 5.4301 5.4301 5.4498 5.4498 5.9702 5.9702 6.2421 6.2421 6.7579 6.7579 7.0979 7.0979 7.3078 7.3078 8.2586 8.2586 8.6232 8.6232 9.2928 9.2928 10.0002 10.0002 10.9804 10.9804 11.3631 11.3631 14.9610 14.9610 15.7411 15.7411 16.2386 16.2386 k = 0.0000 0.0000 0.5463 ( 3214 PWs) bands (ev): -22.9493 -22.9493 -5.8550 -5.8550 -4.7512 -4.7512 -4.7263 -4.7263 1.6763 1.6763 3.1220 3.1220 4.3909 4.3909 5.0163 5.0163 5.4199 5.4199 5.4648 5.4648 5.9749 5.9749 6.2520 6.2520 6.7557 6.7557 7.1017 7.1017 7.3049 7.3049 8.2099 8.2099 8.5934 8.5934 9.2867 9.2867 10.0410 10.0410 10.9222 10.9222 11.2780 11.2780 14.9046 14.9046 15.6119 15.6119 16.3049 16.3049 k = 0.0000 0.0000 0.5651 ( 3206 PWs) bands (ev): -22.9491 -22.9491 -5.8564 -5.8564 -4.7523 -4.7523 -4.7290 -4.7290 1.7417 1.7417 3.1455 3.1455 4.3671 4.3671 4.9565 4.9565 5.4098 5.4098 5.4860 5.4860 5.9812 5.9812 6.2621 6.2621 6.7560 6.7560 7.1077 7.1077 7.3037 7.3037 8.1593 8.1593 8.5642 8.5642 9.2806 9.2806 10.0824 10.0824 10.8633 10.8633 11.1910 11.1910 14.8603 14.8603 15.4835 15.4835 16.3623 16.3623 k = 0.0000 0.0000 0.5840 ( 3218 PWs) bands (ev): -22.9488 -22.9488 -5.8578 -5.8578 -4.7534 -4.7534 -4.7315 -4.7315 1.8066 1.8066 3.1683 3.1683 4.3441 4.3441 4.8925 4.8925 5.4043 5.4043 5.5081 5.5081 5.9881 5.9881 6.2718 6.2718 6.7592 6.7592 7.1160 7.1160 7.3040 7.3040 8.1071 8.1071 8.5359 8.5359 9.2746 9.2746 10.1241 10.1241 10.8033 10.8033 11.1026 11.1026 14.8281 14.8281 15.3571 15.3571 16.3989 16.3989 k = 0.0000 0.0000 0.6028 ( 3216 PWs) bands (ev): -22.9486 -22.9486 -5.8591 -5.8591 -4.7545 -4.7545 -4.7338 -4.7338 1.8706 1.8706 3.1904 3.1904 4.3219 4.3219 4.8265 4.8265 5.4030 5.4030 5.5304 5.5304 5.9947 5.9947 6.2802 6.2802 6.7654 6.7654 7.1265 7.1265 7.3058 7.3058 8.0540 8.0540 8.5088 8.5088 9.2687 9.2687 10.1659 10.1659 10.7415 10.7415 11.0138 11.0138 14.8081 14.8081 15.2336 15.2336 16.4213 16.4213 k = 0.0000 0.0000 0.6217 ( 3212 PWs) bands (ev): -22.9483 -22.9483 -5.8604 -5.8604 -4.7556 -4.7556 -4.7360 -4.7360 1.9333 1.9333 3.2116 3.2116 4.3008 4.3008 4.7602 4.7602 5.4051 5.4051 5.5529 5.5529 6.0003 6.0003 6.2869 6.2869 6.7745 6.7745 7.1392 7.1392 7.3090 7.3090 8.0003 8.0003 8.4833 8.4833 9.2630 9.2630 10.2072 10.2072 10.6765 10.6765 10.9265 10.9265 14.8001 14.8001 15.1134 15.1134 16.4379 16.4379 k = 0.0000 0.0000 0.6405 ( 3216 PWs) bands (ev): -22.9481 -22.9481 -5.8617 -5.8617 -4.7567 -4.7567 -4.7381 -4.7381 1.9944 1.9944 3.2319 3.2319 4.2809 4.2809 4.6947 4.6947 5.4104 5.4104 5.5754 5.5754 6.0047 6.0047 6.2915 6.2915 6.7864 6.7864 7.1539 7.1539 7.3133 7.3133 7.9465 7.9465 8.4599 8.4599 9.2573 9.2573 10.2475 10.2475 10.6070 10.6070 10.8430 10.8430 14.8034 14.8034 14.9970 14.9970 16.4515 16.4515 k = 0.0000 0.0000 0.6593 ( 3214 PWs) bands (ev): -22.9479 -22.9479 -5.8628 -5.8628 -4.7577 -4.7577 -4.7400 -4.7400 2.0537 2.0537 3.2511 3.2511 4.2623 4.2623 4.6309 4.6309 5.4186 5.4186 5.5981 5.5981 6.0076 6.0076 6.2937 6.2937 6.8005 6.8005 7.1704 7.1704 7.3187 7.3187 7.8932 7.8932 8.4390 8.4390 9.2519 9.2519 10.2852 10.2852 10.5320 10.5320 10.7660 10.7660 14.8163 14.8163 14.8860 14.8860 16.4631 16.4631 k = 0.0000 0.0000 0.6782 ( 3218 PWs) bands (ev): -22.9476 -22.9476 -5.8640 -5.8640 -4.7588 -4.7588 -4.7417 -4.7417 2.1108 2.1108 3.2693 3.2693 4.2452 4.2452 4.5693 4.5693 5.4295 5.4295 5.6208 5.6208 6.0089 6.0089 6.2935 6.2935 6.8163 6.8163 7.1887 7.1887 7.3247 7.3247 7.8407 7.8407 8.4212 8.4212 9.2467 9.2467 10.3154 10.3154 10.4544 10.4544 10.6978 10.6978 14.7714 14.7714 14.8476 14.8476 16.4730 16.4730 k = 0.0000 0.0000 0.6970 ( 3216 PWs) bands (ev): -22.9474 -22.9474 -5.8650 -5.8650 -4.7598 -4.7598 -4.7433 -4.7433 2.1654 2.1654 3.2863 3.2863 4.2295 4.2295 4.5106 4.5106 5.4429 5.4429 5.6435 5.6435 6.0086 6.0086 6.2910 6.2910 6.8331 6.8331 7.2083 7.2083 7.3313 7.3313 7.7897 7.7897 8.4070 8.4070 9.2416 9.2416 10.3083 10.3083 10.4030 10.4030 10.6402 10.6402 14.6689 14.6689 14.8812 14.8812 16.4812 16.4812 k = 0.0000 0.0000 0.7158 ( 3224 PWs) bands (ev): -22.9472 -22.9472 -5.8660 -5.8660 -4.7608 -4.7608 -4.7447 -4.7447 2.2172 2.2172 3.3021 3.3021 4.2154 4.2154 4.4549 4.4549 5.4587 5.4587 5.6662 5.6662 6.0067 6.0067 6.2861 6.2861 6.8502 6.8502 7.2291 7.2291 7.3378 7.3378 7.7407 7.7407 8.3970 8.3970 9.2369 9.2369 10.2315 10.2315 10.4083 10.4083 10.5956 10.5956 14.5697 14.5697 14.9254 14.9254 16.4877 16.4877 k = 0.0000 0.0000 0.7347 ( 3224 PWs) bands (ev): -22.9470 -22.9470 -5.8669 -5.8669 -4.7618 -4.7618 -4.7460 -4.7460 2.2659 2.2659 3.3167 3.3167 4.2028 4.2028 4.4026 4.4026 5.4769 5.4769 5.6888 5.6888 6.0032 6.0032 6.2792 6.2792 6.8671 6.8671 7.2506 7.2506 7.3439 7.3439 7.6945 7.6945 8.3918 8.3918 9.2324 9.2324 10.1334 10.1334 10.4160 10.4160 10.5703 10.5703 14.4754 14.4754 14.9782 14.9782 16.4924 16.4924 k = 0.0000 0.0000 0.7535 ( 3226 PWs) bands (ev): -22.9469 -22.9469 -5.8678 -5.8678 -4.7628 -4.7628 -4.7471 -4.7471 2.3114 2.3114 3.3301 3.3301 4.1919 4.1919 4.3539 4.3539 5.4971 5.4971 5.7113 5.7113 5.9983 5.9983 6.2703 6.2703 6.8831 6.8831 7.2724 7.2724 7.3489 7.3489 7.6517 7.6517 8.3920 8.3920 9.2281 9.2281 10.0300 10.0300 10.4048 10.4048 10.5702 10.5702 14.3864 14.3864 15.0386 15.0386 16.4952 16.4952 k = 0.0000 0.0000 0.7724 ( 3228 PWs) bands (ev): -22.9467 -22.9467 -5.8686 -5.8686 -4.7637 -4.7637 -4.7481 -4.7481 2.3534 2.3534 3.3422 3.3422 4.1825 4.1825 4.3090 4.3090 5.5194 5.5194 5.7334 5.7334 5.9920 5.9920 6.2596 6.2596 6.8980 6.8980 7.2939 7.2939 7.3521 7.3521 7.6134 7.6134 8.3980 8.3980 9.2242 9.2242 9.9247 9.9247 10.3789 10.3789 10.5883 10.5883 14.3033 14.3033 15.1055 15.1055 16.4959 16.4959 k = 0.0000 0.0000 0.7912 ( 3224 PWs) bands (ev): -22.9466 -22.9466 -5.8693 -5.8693 -4.7646 -4.7646 -4.7490 -4.7490 2.3916 2.3916 3.3531 3.3531 4.1745 4.1745 4.2680 4.2680 5.5433 5.5433 5.7551 5.7551 5.9845 5.9845 6.2472 6.2472 6.9114 6.9114 7.3142 7.3142 7.3532 7.3532 7.5803 7.5803 8.4104 8.4104 9.2206 9.2206 9.8194 9.8194 10.3478 10.3478 10.6139 10.6139 14.2263 14.2263 15.1778 15.1778 16.4943 16.4943 k = 0.0000 0.0000 0.8100 ( 3222 PWs) bands (ev): -22.9464 -22.9464 -5.8699 -5.8699 -4.7654 -4.7654 -4.7497 -4.7497 2.4260 2.4260 3.3628 3.3628 4.1679 4.1679 4.2310 4.2310 5.5687 5.5687 5.7758 5.7758 5.9762 5.9762 6.2333 6.2333 6.9232 6.9232 7.3293 7.3293 7.3550 7.3550 7.5532 7.5532 8.4293 8.4293 9.2172 9.2172 9.7152 9.7152 10.3164 10.3164 10.6413 10.6413 14.1558 14.1558 15.2544 15.2544 16.4900 16.4900 k = 0.0000 0.0000 0.8289 ( 3222 PWs) bands (ev): -22.9463 -22.9463 -5.8705 -5.8705 -4.7661 -4.7661 -4.7503 -4.7503 2.4565 2.4565 3.3712 3.3712 4.1624 4.1624 4.1984 4.1984 5.5953 5.5953 5.7950 5.7950 5.9675 5.9675 6.2181 6.2181 6.9333 6.9333 7.3304 7.3304 7.3660 7.3660 7.5323 7.5323 8.4546 8.4546 9.2142 9.2142 9.6133 9.6133 10.2869 10.2869 10.6681 10.6681 14.0924 14.0924 15.3338 15.3338 16.4829 16.4829 k = 0.0000 0.0000 0.8477 ( 3226 PWs) bands (ev): -22.9462 -22.9462 -5.8710 -5.8710 -4.7667 -4.7667 -4.7508 -4.7508 2.4830 2.4830 3.3785 3.3785 4.1571 4.1571 4.1709 4.1709 5.6227 5.6227 5.8117 5.8117 5.9593 5.9593 6.2020 6.2020 6.9418 6.9418 7.3215 7.3215 7.3827 7.3827 7.5169 7.5169 8.4861 8.4861 9.2113 9.2113 9.5148 9.5148 10.2603 10.2603 10.6929 10.6929 14.0363 14.0363 15.4141 15.4141 16.4726 16.4726 k = 0.0000 0.0000 0.8665 ( 3232 PWs) bands (ev): -22.9461 -22.9461 -5.8714 -5.8714 -4.7673 -4.7673 -4.7513 -4.7513 2.5054 2.5054 3.3846 3.3846 4.1430 4.1430 4.1574 4.1574 5.6506 5.6506 5.8240 5.8240 5.9529 5.9529 6.1854 6.1854 6.9488 6.9488 7.3094 7.3094 7.3995 7.3995 7.5056 7.5056 8.5230 8.5230 9.2086 9.2086 9.4210 9.4210 10.2370 10.2370 10.7151 10.7151 13.9881 13.9881 15.4933 15.4933 16.4591 16.4591 k = 0.0000 0.0000 0.8854 ( 3228 PWs) bands (ev): -22.9460 -22.9460 -5.8718 -5.8718 -4.7677 -4.7677 -4.7516 -4.7516 2.5237 2.5237 3.3896 3.3896 4.1240 4.1240 4.1541 4.1541 5.6786 5.6786 5.8299 5.8299 5.9501 5.9501 6.1688 6.1688 6.9543 6.9543 7.2968 7.2968 7.4153 7.4153 7.4967 7.4967 8.5640 8.5640 9.2055 9.2055 9.3343 9.3343 10.2176 10.2176 10.7340 10.7340 13.9480 13.9480 15.5682 15.5682 16.4429 16.4429 k = 0.0000 0.0000 0.9042 ( 3236 PWs) bands (ev): -22.9460 -22.9460 -5.8720 -5.8720 -4.7681 -4.7681 -4.7519 -4.7519 2.5379 2.5379 3.3935 3.3935 4.1085 4.1085 4.1523 4.1523 5.7062 5.7062 5.8276 5.8276 5.9518 5.9518 6.1534 6.1534 6.9584 6.9584 7.2856 7.2856 7.4297 7.4297 7.4892 7.4892 8.6065 8.6065 9.1995 9.1995 9.2597 9.2597 10.2022 10.2022 10.7491 10.7491 13.9164 13.9164 15.6353 15.6353 16.4249 16.4249 k = 0.0000 0.0000 0.9231 ( 3232 PWs) bands (ev): -22.9459 -22.9459 -5.8722 -5.8722 -4.7684 -4.7684 -4.7521 -4.7521 2.5481 2.5481 3.3962 3.3962 4.0974 4.0974 4.1511 4.1511 5.7329 5.7329 5.8175 5.8175 5.9566 5.9566 6.1402 6.1402 6.9613 6.9613 7.2769 7.2769 7.4424 7.4424 7.4820 7.4820 8.6465 8.6465 9.1727 9.1727 9.2192 9.2192 10.1910 10.1910 10.7601 10.7601 13.8937 13.8937 15.6896 15.6896 16.4078 16.4078 k = 0.0000 0.0000 0.9419 ( 3228 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7685 -4.7685 -4.7522 -4.7522 2.5542 2.5542 3.3979 3.3979 4.0907 4.0907 4.1504 4.1504 5.7581 5.7581 5.8016 5.8016 5.9614 5.9614 6.1312 6.1312 6.9631 6.9631 7.2713 7.2713 7.4531 7.4531 7.4748 7.4748 8.6769 8.6769 9.1332 9.1332 9.2119 9.2119 10.1842 10.1842 10.7669 10.7669 13.8799 13.8799 15.7256 15.7256 16.3950 16.3950 k = 0.0000 0.0000 0.9607 ( 3228 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7686 -4.7686 -4.7522 -4.7522 2.5562 2.5562 3.3984 3.3984 4.0885 4.0885 4.1502 4.1502 5.7803 5.7803 5.7823 5.7823 5.9634 5.9634 6.1279 6.1279 6.9636 6.9636 7.2695 7.2695 7.4591 7.4591 7.4699 7.4699 8.6886 8.6886 9.1172 9.1172 9.2107 9.2107 10.1820 10.1820 10.7691 10.7691 13.8753 13.8753 15.7383 15.7383 16.3902 16.3902 k = 0.0000 0.0000 0.9607 ( 3228 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7686 -4.7686 -4.7522 -4.7522 2.5562 2.5562 3.3984 3.3984 4.0885 4.0885 4.1502 4.1502 5.7803 5.7803 5.7823 5.7823 5.9634 5.9634 6.1279 6.1279 6.9636 6.9636 7.2695 7.2695 7.4591 7.4591 7.4699 7.4699 8.6886 8.6886 9.1172 9.1172 9.2107 9.2107 10.1820 10.1820 10.7691 10.7691 13.8753 13.8753 15.7383 15.7383 16.3902 16.3902 k =-0.0093 0.0152 0.9607 ( 3228 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7685 -4.7685 -4.7522 -4.7522 2.5562 2.5562 3.3931 3.3931 4.0922 4.0922 4.1522 4.1522 5.7566 5.7566 5.8019 5.8019 5.9672 5.9672 6.1274 6.1274 6.9651 6.9651 7.2666 7.2666 7.4585 7.4585 7.4685 7.4685 8.6870 8.6870 9.1159 9.1159 9.2172 9.2172 10.1839 10.1839 10.7726 10.7726 13.8757 13.8757 15.7378 15.7378 16.3950 16.3950 k =-0.0186 0.0305 0.9607 ( 3228 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7683 -4.7683 -4.7523 -4.7523 2.5562 2.5562 3.3776 3.3776 4.1030 4.1030 4.1580 4.1580 5.7288 5.7288 5.8179 5.8179 5.9782 5.9782 6.1260 6.1260 6.9696 6.9696 7.2583 7.2583 7.4558 7.4558 7.4651 7.4651 8.6822 8.6822 9.1128 9.1128 9.2355 9.2355 10.1896 10.1896 10.7831 10.7831 13.8768 13.8768 15.7365 15.7365 16.4094 16.4094 k =-0.0279 0.0457 0.9607 ( 3224 PWs) bands (ev): -22.9460 -22.9460 -5.8721 -5.8721 -4.7679 -4.7679 -4.7523 -4.7523 2.5562 2.5562 3.3527 3.3527 4.1198 4.1198 4.1677 4.1677 5.6988 5.6988 5.8296 5.8296 5.9950 5.9950 6.1236 6.1236 6.9770 6.9770 7.2447 7.2447 7.4489 7.4489 7.4620 7.4620 8.6738 8.6738 9.1094 9.1094 9.2643 9.2643 10.1992 10.1992 10.8005 10.8005 13.8786 13.8786 15.7343 15.7343 16.4333 16.4333 k =-0.0371 0.0609 0.9607 ( 3224 PWs) bands (ev): -22.9460 -22.9460 -5.8719 -5.8719 -4.7675 -4.7675 -4.7524 -4.7524 2.5561 2.5561 3.3199 3.3199 4.1413 4.1413 4.1814 4.1814 5.6675 5.6675 5.8379 5.8379 6.0157 6.0157 6.1204 6.1204 6.9872 6.9872 7.2262 7.2262 7.4377 7.4377 7.4599 7.4599 8.6614 8.6614 9.1067 9.1067 9.3024 9.3024 10.2129 10.2129 10.8246 10.8246 13.8812 13.8812 15.7314 15.7314 16.4663 16.4663 k =-0.0464 0.0762 0.9607 ( 3220 PWs) bands (ev): -22.9461 -22.9461 -5.8717 -5.8717 -4.7668 -4.7668 -4.7525 -4.7525 2.5560 2.5560 3.2805 3.2805 4.1662 4.1662 4.1991 4.1991 5.6355 5.6355 5.8438 5.8438 6.0387 6.0387 6.1164 6.1164 7.0003 7.0003 7.2036 7.2036 7.4233 7.4233 7.4580 7.4580 8.6446 8.6446 9.1050 9.1050 9.3493 9.3493 10.2308 10.2308 10.8552 10.8552 13.8845 13.8845 15.7276 15.7276 16.5081 16.5081 k =-0.0557 0.0914 0.9607 ( 3224 PWs) bands (ev): -22.9461 -22.9461 -5.8714 -5.8714 -4.7661 -4.7661 -4.7525 -4.7525 2.5558 2.5558 3.2357 3.2357 4.1932 4.1932 4.2208 4.2208 5.6034 5.6034 5.8480 5.8480 6.0625 6.0625 6.1117 6.1117 7.0159 7.0159 7.1773 7.1773 7.4065 7.4065 7.4559 7.4559 8.6233 8.6233 9.1043 9.1043 9.4046 9.4046 10.2531 10.2531 10.8921 10.8921 13.8886 13.8886 15.7232 15.7232 16.5583 16.5583 k =-0.0650 0.1067 0.9607 ( 3228 PWs) bands (ev): -22.9462 -22.9462 -5.8710 -5.8710 -4.7652 -4.7652 -4.7526 -4.7526 2.5553 2.5553 3.1866 3.1866 4.2217 4.2217 4.2462 4.2462 5.5715 5.5715 5.8507 5.8507 6.0859 6.0859 6.1069 6.1069 7.0337 7.0337 7.1485 7.1485 7.3881 7.3881 7.4537 7.4537 8.5972 8.5972 9.1046 9.1046 9.4678 9.4678 10.2799 10.2799 10.9349 10.9349 13.8933 13.8933 15.7182 15.7182 16.6162 16.6162 k =-0.0743 0.1219 0.9607 ( 3240 PWs) bands (ev): -22.9463 -22.9463 -5.8706 -5.8706 -4.7643 -4.7643 -4.7526 -4.7526 2.5547 2.5547 3.1340 3.1340 4.2514 4.2514 4.2747 4.2747 5.5401 5.5401 5.8521 5.8521 6.0983 6.0983 6.1122 6.1122 7.0525 7.0525 7.1187 7.1187 7.3687 7.3687 7.4513 7.4513 8.5667 8.5667 9.1057 9.1057 9.5382 9.5382 10.3114 10.3114 10.9835 10.9835 13.8988 13.8988 15.7127 15.7127 16.6809 16.6809 k =-0.0836 0.1371 0.9607 ( 3234 PWs) bands (ev): -22.9464 -22.9464 -5.8701 -5.8701 -4.7633 -4.7633 -4.7526 -4.7526 2.5537 2.5537 3.0786 3.0786 4.2824 4.2824 4.3056 4.3056 5.5097 5.5097 5.8520 5.8520 6.0936 6.0936 6.1335 6.1335 7.0637 7.0637 7.0965 7.0965 7.3491 7.3491 7.4487 7.4487 8.5318 8.5318 9.1076 9.1076 9.6155 9.6155 10.3476 10.3476 11.0374 11.0374 13.9050 13.9050 15.7068 15.7068 16.7516 16.7516 k =-0.0929 0.1524 0.9607 ( 3238 PWs) bands (ev): -22.9466 -22.9466 -5.8696 -5.8696 -4.7623 -4.7623 -4.7525 -4.7525 2.5524 2.5524 3.0209 3.0209 4.3145 4.3145 4.3385 4.3385 5.4804 5.4804 5.8503 5.8503 6.0879 6.0879 6.1544 6.1544 7.0423 7.0423 7.1070 7.1070 7.3305 7.3305 7.4460 7.4460 8.4931 8.4931 9.1101 9.1101 9.6991 9.6991 10.3887 10.3887 11.0963 11.0963 13.9118 13.9118 15.7005 15.7005 16.8255 16.8255 k =-0.0929 0.1524 0.9607 ( 3238 PWs) bands (ev): -22.9466 -22.9466 -5.8696 -5.8696 -4.7623 -4.7623 -4.7525 -4.7525 2.5524 2.5524 3.0209 3.0209 4.3145 4.3145 4.3385 4.3385 5.4804 5.4804 5.8503 5.8503 6.0879 6.0879 6.1544 6.1544 7.0423 7.0423 7.1070 7.1070 7.3305 7.3305 7.4460 7.4460 8.4931 8.4931 9.1101 9.1101 9.6991 9.6991 10.3887 10.3887 11.0963 11.0963 13.9118 13.9118 15.7005 15.7005 16.8255 16.8255 k =-0.0997 0.1635 0.9477 ( 3230 PWs) bands (ev): -22.9467 -22.9467 -5.8692 -5.8692 -4.7618 -4.7618 -4.7520 -4.7520 2.5504 2.5504 2.9779 2.9779 4.3387 4.3387 4.3642 4.3642 5.4598 5.4598 5.8464 5.8464 6.0847 6.0847 6.1688 6.1688 7.0193 7.0193 7.1213 7.1213 7.3184 7.3184 7.4432 7.4432 8.4587 8.4587 9.1189 9.1189 9.7643 9.7643 10.4227 10.4227 11.1415 11.1415 13.9195 13.9195 15.6902 15.6902 16.8373 16.8373 k =-0.1064 0.1746 0.9347 ( 3230 PWs) bands (ev): -22.9468 -22.9468 -5.8687 -5.8687 -4.7617 -4.7617 -4.7511 -4.7511 2.5467 2.5467 2.9344 2.9344 4.3637 4.3637 4.3917 4.3917 5.4401 5.4401 5.8388 5.8388 6.0833 6.0833 6.1820 6.1820 6.9963 6.9963 7.1338 7.1338 7.3085 7.3085 7.4387 7.4387 8.4163 8.4163 9.1401 9.1401 9.8333 9.8333 10.4614 10.4614 11.1872 11.1872 13.9319 13.9319 15.6687 15.6687 16.7732 16.7732 k =-0.1132 0.1858 0.9216 ( 3228 PWs) bands (ev): -22.9469 -22.9469 -5.8682 -5.8682 -4.7620 -4.7620 -4.7496 -4.7496 2.5414 2.5414 2.8910 2.8910 4.3894 4.3894 4.4207 4.4207 5.4215 5.4215 5.8280 5.8280 6.0835 6.0835 6.1937 6.1937 6.9740 6.9740 7.1419 7.1419 7.3023 7.3023 7.4322 7.4322 8.3681 8.3681 9.1721 9.1721 9.9061 9.9061 10.5045 10.5045 11.2335 11.2335 13.9490 13.9490 15.6369 15.6369 16.7037 16.7037 k =-0.1200 0.1969 0.9086 ( 3222 PWs) bands (ev): -22.9470 -22.9470 -5.8676 -5.8676 -4.7627 -4.7627 -4.7476 -4.7476 2.5346 2.5346 2.8477 2.8477 4.4157 4.4157 4.4512 4.4512 5.4044 5.4044 5.8147 5.8147 6.0848 6.0848 6.2037 6.2037 6.9526 6.9526 7.1438 7.1438 7.3008 7.3008 7.4237 7.4237 8.3161 8.3161 9.2134 9.2134 9.9823 9.9823 10.5519 10.5519 11.2805 11.2805 13.9708 13.9708 15.5960 15.5960 16.6307 16.6307 k =-0.1268 0.2080 0.8955 ( 3218 PWs) bands (ev): -22.9472 -22.9472 -5.8670 -5.8670 -4.7636 -4.7636 -4.7452 -4.7452 2.5264 2.5264 2.8048 2.8048 4.4424 4.4424 4.4829 4.4829 5.3890 5.3890 5.7994 5.7994 6.0866 6.0866 6.2120 6.2120 6.9320 6.9320 7.1392 7.1392 7.3038 7.3038 7.4133 7.4133 8.2621 8.2621 9.2627 9.2627 10.0617 10.0617 10.6034 10.6034 11.3284 11.3284 13.9972 13.9972 15.5472 15.5472 16.5537 16.5537 k =-0.1336 0.2192 0.8825 ( 3218 PWs) bands (ev): -22.9473 -22.9473 -5.8664 -5.8664 -4.7647 -4.7647 -4.7426 -4.7426 2.5171 2.5171 2.7625 2.7625 4.4696 4.4696 4.5158 4.5158 5.3754 5.3754 5.7828 5.7828 6.0885 6.0885 6.2187 6.2187 6.9121 6.9121 7.1292 7.1292 7.3090 7.3090 7.4015 7.4015 8.2077 8.2077 9.3192 9.3192 10.1440 10.1440 10.6587 10.6587 11.3773 11.3773 14.0280 14.0280 15.4918 15.4918 16.4725 16.4725 k =-0.1404 0.2303 0.8695 ( 3220 PWs) bands (ev): -22.9475 -22.9475 -5.8658 -5.8658 -4.7659 -4.7659 -4.7397 -4.7397 2.5066 2.5066 2.7210 2.7210 4.4973 4.4973 4.5496 4.5496 5.3638 5.3638 5.7652 5.7652 6.0901 6.0901 6.2240 6.2240 6.8929 6.8929 7.1152 7.1152 7.3132 7.3132 7.3894 7.3894 8.1542 8.1542 9.3822 9.3822 10.2287 10.2287 10.7176 10.7176 11.4276 11.4276 14.0632 14.0632 15.4308 15.4308 16.3870 16.3870 k =-0.1472 0.2414 0.8564 ( 3222 PWs) bands (ev): -22.9477 -22.9477 -5.8652 -5.8652 -4.7672 -4.7672 -4.7367 -4.7367 2.4953 2.4953 2.6804 2.6804 4.5252 4.5252 4.5841 4.5841 5.3542 5.3542 5.7470 5.7470 6.0911 6.0911 6.2278 6.2278 6.8744 6.8744 7.0987 7.0987 7.3121 7.3121 7.3796 7.3796 8.1026 8.1026 9.4513 9.4513 10.3154 10.3154 10.7797 10.7797 11.4797 11.4797 14.1025 14.1025 15.3652 15.3652 16.2974 16.2974 k =-0.1539 0.2526 0.8434 ( 3218 PWs) bands (ev): -22.9478 -22.9478 -5.8645 -5.8645 -4.7685 -4.7685 -4.7336 -4.7336 2.4832 2.4832 2.6408 2.6408 4.5536 4.5536 4.6194 4.6194 5.3466 5.3466 5.7285 5.7285 6.0914 6.0914 6.2304 6.2304 6.8563 6.8563 7.0806 7.0806 7.3019 7.3019 7.3744 7.3744 8.0538 8.0538 9.5260 9.5260 10.4032 10.4032 10.8447 10.8447 11.5340 11.5340 14.1458 14.1458 15.2956 15.2956 16.2046 16.2046 k =-0.1607 0.2637 0.8304 ( 3222 PWs) bands (ev): -22.9480 -22.9480 -5.8639 -5.8639 -4.7699 -4.7699 -4.7303 -4.7303 2.4704 2.4704 2.6025 2.6025 4.5822 4.5822 4.6551 4.6551 5.3411 5.3411 5.7099 5.7099 6.0908 6.0908 6.2319 6.2319 6.8386 6.8386 7.0617 7.0617 7.2829 7.2829 7.3725 7.3725 8.0088 8.0088 9.6060 9.6060 10.4916 10.4916 10.9121 10.9121 11.5912 11.5912 14.1929 14.1929 15.2224 15.2224 16.1096 16.1096 k =-0.1675 0.2748 0.8173 ( 3226 PWs) bands (ev): -22.9482 -22.9482 -5.8632 -5.8632 -4.7714 -4.7714 -4.7270 -4.7270 2.4571 2.4571 2.5654 2.5654 4.6112 4.6112 4.6912 4.6912 5.3376 5.3376 5.6912 5.6912 6.0895 6.0895 6.2324 6.2324 6.8211 6.8211 7.0423 7.0423 7.2576 7.2576 7.3708 7.3708 7.9681 7.9681 9.6910 9.6910 10.5795 10.5795 10.9817 10.9817 11.6520 11.6520 14.2436 14.2436 15.1457 15.1457 16.0139 16.0139 k =-0.1743 0.2860 0.8043 ( 3226 PWs) bands (ev): -22.9483 -22.9483 -5.8626 -5.8626 -4.7728 -4.7728 -4.7237 -4.7237 2.4433 2.4433 2.5299 2.5299 4.6403 4.6403 4.7276 4.7276 5.3361 5.3361 5.6727 5.6727 6.0872 6.0872 6.2321 6.2321 6.8039 6.8039 7.0228 7.0228 7.2280 7.2280 7.3670 7.3670 7.9325 7.9325 9.7806 9.7806 10.6659 10.6659 11.0529 11.0529 11.7171 11.7171 14.2975 14.2975 15.0655 15.0655 15.9190 15.9190 k =-0.1811 0.2971 0.7912 ( 3224 PWs) bands (ev): -22.9485 -22.9485 -5.8620 -5.8620 -4.7743 -4.7743 -4.7203 -4.7203 2.4291 2.4291 2.4961 2.4961 4.6697 4.6697 4.7640 4.7640 5.3365 5.3365 5.6542 5.6542 6.0842 6.0842 6.2310 6.2310 6.7867 6.7867 7.0035 7.0035 7.1953 7.1953 7.3600 7.3600 7.9020 7.9020 9.8745 9.8745 10.7497 10.7497 11.1255 11.1255 11.7874 11.7874 14.3544 14.3544 14.9818 14.9818 15.8268 15.8268 k =-0.1879 0.3082 0.7782 ( 3222 PWs) bands (ev): -22.9487 -22.9487 -5.8613 -5.8613 -4.7757 -4.7757 -4.7169 -4.7169 2.4144 2.4144 2.4643 2.4643 4.6991 4.6991 4.8003 4.8003 5.3387 5.3387 5.6359 5.6359 6.0805 6.0805 6.2294 6.2294 6.7695 6.7695 6.9845 6.9845 7.1605 7.1605 7.3496 7.3496 7.8767 7.8767 9.9724 9.9724 10.8297 10.8297 11.1988 11.1988 11.8637 11.8637 14.4136 14.4136 14.8945 14.8945 15.7388 15.7388 k =-0.1946 0.3194 0.7652 ( 3224 PWs) bands (ev): -22.9489 -22.9489 -5.8607 -5.8607 -4.7771 -4.7771 -4.7136 -4.7136 2.3988 2.3988 2.4352 2.4352 4.7286 4.7286 4.8363 4.8363 5.3425 5.3425 5.6178 5.6178 6.0762 6.0762 6.2273 6.2273 6.7521 6.7521 6.9659 6.9659 7.1243 7.1243 7.3357 7.3357 7.8564 7.8564 10.0738 10.0738 10.9048 10.9048 11.2726 11.2726 11.9465 11.9465 14.4745 14.4745 14.8040 14.8040 15.6565 15.6565 k =-0.2014 0.3305 0.7521 ( 3218 PWs) bands (ev): -22.9490 -22.9490 -5.8602 -5.8602 -4.7785 -4.7785 -4.7103 -4.7103 2.3813 2.3813 2.4098 2.4098 4.7581 4.7581 4.8720 4.8720 5.3478 5.3478 5.5999 5.5999 6.0714 6.0714 6.2248 6.2248 6.7343 6.7343 6.9479 6.9479 7.0877 7.0877 7.3188 7.3188 7.8404 7.8404 10.1783 10.1783 10.9741 10.9741 11.3460 11.3460 12.0364 12.0364 14.5342 14.5342 14.7129 14.7129 15.5814 15.5814 k =-0.2082 0.3416 0.7391 ( 3218 PWs) bands (ev): -22.9492 -22.9492 -5.8596 -5.8596 -4.7798 -4.7798 -4.7071 -4.7071 2.3609 2.3609 2.3895 2.3895 4.7875 4.7875 4.9070 4.9070 5.3545 5.3545 5.5822 5.5822 6.0661 6.0661 6.2220 6.2220 6.7160 6.7160 6.9306 6.9306 7.0515 7.0515 7.2994 7.2994 7.8282 7.8282 10.2854 10.2854 11.0370 11.0370 11.4184 11.4184 12.1337 12.1337 14.5661 14.5661 14.6478 14.6478 15.5142 15.5142 k =-0.2150 0.3528 0.7260 ( 3220 PWs) bands (ev): -22.9493 -22.9493 -5.8591 -5.8591 -4.7811 -4.7811 -4.7041 -4.7041 2.3386 2.3386 2.3735 2.3735 4.8167 4.8167 4.9412 4.9412 5.3621 5.3621 5.5649 5.5649 6.0607 6.0607 6.2188 6.2188 6.6970 6.6970 6.9138 6.9138 7.0169 7.0169 7.2783 7.2783 7.8191 7.8191 10.3947 10.3947 11.0934 11.0934 11.4886 11.4886 12.2383 12.2383 14.4933 14.4933 14.6857 14.6857 15.4555 15.4555 k =-0.2218 0.3639 0.7130 ( 3208 PWs) bands (ev): -22.9495 -22.9495 -5.8587 -5.8587 -4.7823 -4.7823 -4.7011 -4.7011 2.3163 2.3163 2.3598 2.3598 4.8455 4.8455 4.9743 4.9743 5.3704 5.3704 5.5480 5.5480 6.0551 6.0551 6.2153 6.2153 6.6772 6.6772 6.8975 6.8975 6.9848 6.9848 7.2559 7.2559 7.8124 7.8124 10.5057 10.5057 11.1433 11.1433 11.5554 11.5554 12.3499 12.3499 14.3948 14.3948 14.7479 14.7479 15.4054 15.4054 k =-0.2286 0.3750 0.7000 ( 3212 PWs) bands (ev): -22.9496 -22.9496 -5.8582 -5.8582 -4.7834 -4.7834 -4.6984 -4.6984 2.2951 2.2951 2.3477 2.3477 4.8739 4.8739 5.0061 5.0061 5.3788 5.3788 5.5319 5.5319 6.0495 6.0495 6.2116 6.2116 6.6566 6.6566 6.8816 6.8816 6.9563 6.9563 7.2331 7.2331 7.8075 7.8075 10.6178 10.6178 11.1871 11.1871 11.6175 11.6175 12.4679 12.4679 14.2938 14.2938 14.8111 14.8111 15.3638 15.3638 k =-0.2354 0.3862 0.6869 ( 3212 PWs) bands (ev): -22.9498 -22.9498 -5.8578 -5.8578 -4.7845 -4.7845 -4.6958 -4.6958 2.2755 2.2755 2.3367 2.3367 4.9015 4.9015 5.0364 5.0364 5.3866 5.3866 5.5170 5.5170 6.0441 6.0441 6.2075 6.2075 6.6353 6.6353 6.8657 6.8657 6.9322 6.9322 7.2102 7.2102 7.8040 7.8040 10.7303 10.7303 11.2252 11.2252 11.6733 11.6733 12.5915 12.5915 14.1941 14.1941 14.8709 14.8709 15.3298 15.3298 k =-0.2421 0.3973 0.6739 ( 3210 PWs) bands (ev): -22.9499 -22.9499 -5.8575 -5.8575 -4.7854 -4.7854 -4.6934 -4.6934 2.2576 2.2576 2.3268 2.3268 4.9281 4.9281 5.0650 5.0650 5.3927 5.3927 5.5044 5.5044 6.0390 6.0390 6.2030 6.2030 6.6136 6.6136 6.8501 6.8501 6.9128 6.9128 7.1879 7.1879 7.8015 7.8015 10.8425 10.8425 11.2581 11.2581 11.7212 11.7212 12.7198 12.7198 14.0980 14.0980 14.9214 14.9214 15.3009 15.3009 k =-0.2489 0.4084 0.6609 ( 3212 PWs) bands (ev): -22.9500 -22.9500 -5.8571 -5.8571 -4.7863 -4.7863 -4.6913 -4.6913 2.2418 2.2418 2.3180 2.3180 4.9536 4.9536 5.0916 5.0916 5.3954 5.3954 5.4954 5.4954 6.0344 6.0344 6.1982 6.1982 6.5922 6.5922 6.8352 6.8352 6.8978 6.8978 7.1666 7.1666 7.7998 7.7998 10.9535 10.9535 11.2862 11.2862 11.7596 11.7596 12.8516 12.8516 14.0080 14.0080 14.9498 14.9498 15.2704 15.2704 k =-0.2557 0.4196 0.6478 ( 3212 PWs) bands (ev): -22.9501 -22.9501 -5.8569 -5.8569 -4.7871 -4.7871 -4.6894 -4.6894 2.2279 2.2279 2.3102 2.3102 4.9774 4.9774 5.1161 5.1161 5.3934 5.3934 5.4911 5.4911 6.0303 6.0303 6.1931 6.1931 6.5718 6.5718 6.8214 6.8214 6.8866 6.8866 7.1469 7.1469 7.7987 7.7987 11.0621 11.0621 11.3100 11.3100 11.7870 11.7870 12.9850 12.9850 13.9267 13.9267 14.9289 14.9289 15.2387 15.2387 k =-0.2625 0.4307 0.6348 ( 3210 PWs) bands (ev): -22.9501 -22.9501 -5.8566 -5.8566 -4.7877 -4.7877 -4.6878 -4.6878 2.2161 2.2161 2.3036 2.3036 4.9991 4.9991 5.1382 5.1382 5.3865 5.3865 5.4915 5.4915 6.0270 6.0270 6.1878 6.1878 6.5531 6.5531 6.8095 6.8095 6.8784 6.8784 7.1291 7.1291 7.7979 7.7979 11.1669 11.1669 11.3303 11.3303 11.8021 11.8021 13.1177 13.1177 13.8573 13.8573 14.8431 14.8431 15.2323 15.2323 k =-0.2693 0.4418 0.6217 ( 3212 PWs) bands (ev): -22.9502 -22.9502 -5.8564 -5.8564 -4.7883 -4.7883 -4.6864 -4.6864 2.2064 2.2064 2.2981 2.2981 5.0182 5.0182 5.1578 5.1578 5.3764 5.3764 5.4950 5.4950 6.0243 6.0243 6.1825 6.1825 6.5369 6.5369 6.7996 6.7996 6.8724 6.8724 7.1138 7.1138 7.7974 7.7974 11.2649 11.2649 11.3484 11.3484 11.8039 11.8039 13.2449 13.2449 13.8041 13.8041 14.7200 14.7200 15.2471 15.2471 k =-0.2761 0.4530 0.6087 ( 3212 PWs) bands (ev): -22.9503 -22.9503 -5.8563 -5.8563 -4.7887 -4.7887 -4.6854 -4.6854 2.1989 2.1989 2.2938 2.2938 5.0340 5.0340 5.1745 5.1745 5.3652 5.3652 5.4996 5.4996 6.0224 6.0224 6.1776 6.1776 6.5237 6.5237 6.7918 6.7918 6.8683 6.8683 7.1013 7.1013 7.7970 7.7970 11.3384 11.3384 11.3801 11.3801 11.7926 11.7926 13.3578 13.3578 13.7742 13.7742 14.5871 14.5871 15.2680 15.2680 k =-0.2829 0.4641 0.5957 ( 3212 PWs) bands (ev): -22.9503 -22.9503 -5.8562 -5.8562 -4.7890 -4.7890 -4.6846 -4.6846 2.1934 2.1934 2.2907 2.2907 5.0459 5.0459 5.1877 5.1877 5.3548 5.3548 5.5039 5.5039 6.0211 6.0211 6.1736 6.1736 6.5140 6.5140 6.7863 6.7863 6.8657 6.8657 7.0921 7.0921 7.7968 7.7968 11.3585 11.3585 11.4507 11.4507 11.7702 11.7702 13.4415 13.4415 13.7768 13.7768 14.4612 14.4612 15.2890 15.2890 k =-0.2896 0.4752 0.5826 ( 3213 PWs) bands (ev): -22.9503 -22.9503 -5.8561 -5.8561 -4.7892 -4.7892 -4.6841 -4.6841 2.1902 2.1902 2.2889 2.2889 5.0533 5.0533 5.1964 5.1964 5.3474 5.3474 5.5069 5.5069 6.0204 6.0204 6.1710 6.1710 6.5081 6.5081 6.7830 6.7830 6.8642 6.8642 7.0865 7.0865 7.7967 7.7967 11.3652 11.3652 11.5124 11.5124 11.7432 11.7432 13.4848 13.4848 13.8080 13.8080 14.3616 14.3616 15.3061 15.3061 k =-0.2964 0.4864 0.5696 ( 3217 PWs) bands (ev): -22.9503 -22.9503 -5.8561 -5.8561 -4.7892 -4.7892 -4.6840 -4.6840 2.1891 2.1891 2.2882 2.2882 5.0558 5.0558 5.1995 5.1995 5.3447 5.3447 5.5080 5.5080 6.0202 6.0202 6.1701 6.1701 6.5062 6.5062 6.7819 6.7819 6.8637 6.8637 7.0846 7.0846 7.7967 7.7967 11.3673 11.3673 11.5382 11.5382 11.7292 11.7292 13.4963 13.4963 13.8288 13.8288 14.3208 14.3208 15.3132 15.3132 k =-0.2964 0.4864 0.5696 ( 3217 PWs) bands (ev): -22.9503 -22.9503 -5.8561 -5.8561 -4.7892 -4.7892 -4.6840 -4.6840 2.1891 2.1891 2.2882 2.2882 5.0558 5.0558 5.1995 5.1995 5.3447 5.3447 5.5080 5.5080 6.0202 6.0202 6.1701 6.1701 6.5062 6.5062 6.7819 6.7819 6.8637 6.8637 7.0846 7.0846 7.7967 7.7967 11.3673 11.3673 11.5382 11.5382 11.7292 11.7292 13.4963 13.4963 13.8288 13.8288 14.3208 14.3208 15.3132 15.3132 k =-0.2895 0.4751 0.5563 ( 3213 PWs) bands (ev): -22.9502 -22.9502 -5.8565 -5.8565 -4.7901 -4.7901 -4.6839 -4.6839 2.2409 2.2409 2.2747 2.2747 5.0767 5.0767 5.2029 5.2029 5.3568 5.3568 5.4590 5.4590 6.0110 6.0110 6.1615 6.1615 6.5005 6.5005 6.7858 6.7858 6.8471 6.8471 7.0519 7.0519 7.8369 7.8369 11.2607 11.2607 11.5775 11.5775 11.6732 11.6732 13.4578 13.4578 13.8290 13.8290 14.2960 14.2960 15.3741 15.3741 k =-0.2826 0.4637 0.5431 ( 3213 PWs) bands (ev): -22.9502 -22.9502 -5.8568 -5.8568 -4.7907 -4.7907 -4.6837 -4.6837 2.2401 2.2401 2.3087 2.3087 5.0980 5.0980 5.2028 5.2028 5.3632 5.3632 5.4171 5.4171 6.0027 6.0027 6.1546 6.1546 6.5025 6.5025 6.7831 6.7831 6.8379 6.8379 7.0222 7.0222 7.8797 7.8797 11.1536 11.1536 11.5798 11.5798 11.6571 11.6571 13.3924 13.3924 13.8545 13.8545 14.2743 14.2743 15.4380 15.4380 k =-0.2758 0.4524 0.5298 ( 3215 PWs) bands (ev): -22.9501 -22.9501 -5.8570 -5.8570 -4.7912 -4.7912 -4.6835 -4.6835 2.2137 2.2137 2.3628 2.3628 5.1195 5.1195 5.1969 5.1969 5.3490 5.3490 5.4012 5.4012 5.9930 5.9930 6.1521 6.1521 6.5102 6.5102 6.7737 6.7737 6.8366 6.8366 6.9966 6.9966 7.9245 7.9245 11.0472 11.0472 11.5333 11.5333 11.6920 11.6920 13.3113 13.3113 13.8939 13.8939 14.2557 14.2557 15.5050 15.5050 k =-0.2689 0.4411 0.5166 ( 3217 PWs) bands (ev): -22.9501 -22.9501 -5.8571 -5.8571 -4.7915 -4.7915 -4.6833 -4.6833 2.1817 2.1817 2.4167 2.4167 5.1404 5.1404 5.1827 5.1827 5.3226 5.3226 5.4075 5.4075 5.9798 5.9798 6.1568 6.1568 6.5208 6.5208 6.7633 6.7633 6.8376 6.8376 6.9762 6.9762 7.9712 7.9712 10.9417 10.9417 11.4812 11.4812 11.7350 11.7350 13.2218 13.2218 13.9400 13.9400 14.2402 14.2402 15.5748 15.5748 k =-0.2620 0.4298 0.5034 ( 3215 PWs) bands (ev): -22.9501 -22.9501 -5.8571 -5.8571 -4.7915 -4.7915 -4.6831 -4.6831 2.1451 2.1451 2.4690 2.4690 5.1509 5.1509 5.1685 5.1685 5.3034 5.3034 5.4188 5.4188 5.9626 5.9626 6.1700 6.1700 6.5313 6.5313 6.7567 6.7567 6.8362 6.8362 6.9628 6.9628 8.0195 8.0195 10.8374 10.8374 11.4309 11.4309 11.7791 11.7791 13.1272 13.1272 13.9891 13.9891 14.2276 14.2276 15.6473 15.6474 k =-0.2551 0.4185 0.4901 ( 3215 PWs) bands (ev): -22.9501 -22.9501 -5.8570 -5.8570 -4.7913 -4.7913 -4.6829 -4.6829 2.1043 2.1043 2.5193 2.5193 5.1236 5.1236 5.1841 5.1841 5.2926 5.2926 5.4319 5.4319 5.9429 5.9429 6.1908 6.1908 6.5389 6.5389 6.7576 6.7576 6.8298 6.8298 6.9579 6.9579 8.0690 8.0690 10.7342 10.7342 11.3837 11.3837 11.8233 11.8233 13.0294 13.0294 14.0393 14.0393 14.2179 14.2179 15.7224 15.7224 k =-0.2482 0.4072 0.4769 ( 3219 PWs) bands (ev): -22.9501 -22.9501 -5.8568 -5.8568 -4.7909 -4.7909 -4.6827 -4.6827 2.0594 2.0594 2.5671 2.5671 5.0902 5.0902 5.2008 5.2008 5.2878 5.2878 5.4461 5.4461 5.9229 5.9229 6.2174 6.2174 6.5424 6.5424 6.7676 6.7676 6.8185 6.8185 6.9606 6.9606 8.1195 8.1195 10.6322 10.6322 11.3400 11.3400 11.8675 11.8675 12.9294 12.9294 14.0889 14.0889 14.2112 14.2112 15.7996 15.7996 k =-0.2413 0.3959 0.4636 ( 3209 PWs) bands (ev): -22.9501 -22.9501 -5.8565 -5.8565 -4.7902 -4.7902 -4.6825 -4.6825 2.0108 2.0108 2.6120 2.6120 5.0569 5.0569 5.2134 5.2134 5.2880 5.2880 5.4609 5.4609 5.9045 5.9045 6.2478 6.2478 6.5428 6.5428 6.7866 6.7866 6.8045 6.8045 6.9690 6.9690 8.1707 8.1707 10.5314 10.5314 11.3004 11.3004 11.9117 11.9117 12.8279 12.8279 14.1364 14.1364 14.2079 14.2079 15.8788 15.8788 k =-0.2344 0.3846 0.4504 ( 3209 PWs) bands (ev): -22.9501 -22.9501 -5.8561 -5.8561 -4.7893 -4.7893 -4.6824 -4.6824 1.9589 1.9589 2.6536 2.6536 5.0256 5.0256 5.2200 5.2200 5.2935 5.2935 5.4756 5.4756 5.8894 5.8894 6.2798 6.2798 6.5429 6.5429 6.7895 6.7895 6.8130 6.8130 6.9812 6.9812 8.2224 8.2224 10.4320 10.4320 11.2649 11.2649 11.9559 11.9559 12.7253 12.7253 14.1763 14.1763 14.2126 14.2126 15.9595 15.9595 k =-0.2275 0.3733 0.4371 ( 3209 PWs) bands (ev): -22.9502 -22.9502 -5.8555 -5.8555 -4.7881 -4.7881 -4.6822 -4.6822 1.9041 1.9041 2.6915 2.6915 4.9970 4.9970 5.2203 5.2203 5.3034 5.3034 5.4893 5.4893 5.8794 5.8794 6.3103 6.3103 6.5468 6.5468 6.7755 6.7755 6.8447 6.8447 6.9959 6.9959 8.2743 8.2743 10.3338 10.3338 11.2338 11.2338 12.0002 12.0002 12.6220 12.6220 14.1923 14.1923 14.2402 14.2402 16.0413 16.0413 k =-0.2206 0.3620 0.4239 ( 3209 PWs) bands (ev): -22.9503 -22.9503 -5.8549 -5.8549 -4.7867 -4.7867 -4.6821 -4.6821 1.8466 1.8466 2.7257 2.7257 4.9712 4.9712 5.2160 5.2160 5.3156 5.3156 5.5009 5.5009 5.8759 5.8759 6.3361 6.3361 6.5585 6.5585 6.7635 6.7635 6.8801 6.8801 7.0128 7.0128 8.3261 8.3261 10.2370 10.2370 11.2073 11.2073 12.0445 12.0445 12.5185 12.5185 14.1963 14.1963 14.2782 14.2782 16.1237 16.1237 k =-0.2137 0.3506 0.4106 ( 3225 PWs) bands (ev): -22.9504 -22.9504 -5.8541 -5.8541 -4.7851 -4.7851 -4.6819 -4.6819 1.7871 1.7871 2.7557 2.7557 4.9484 4.9484 5.2087 5.2087 5.3283 5.3283 5.5095 5.5095 5.8797 5.8797 6.3549 6.3549 6.5804 6.5804 6.7552 6.7552 6.9179 6.9179 7.0316 7.0316 8.3774 8.3774 10.1416 10.1416 11.1856 11.1856 12.0881 12.0881 12.4155 12.4155 14.1993 14.1993 14.3141 14.3141 16.2058 16.2058 k =-0.2068 0.3393 0.3974 ( 3227 PWs) bands (ev): -22.9505 -22.9505 -5.8532 -5.8532 -4.7832 -4.7832 -4.6818 -4.6818 1.7258 1.7258 2.7816 2.7816 4.9283 4.9283 5.1993 5.1993 5.3399 5.3399 5.5147 5.5147 5.8911 5.8911 6.3669 6.3669 6.6106 6.6106 6.7530 6.7530 6.9569 6.9569 7.0529 7.0529 8.4281 8.4281 10.0476 10.0476 11.1690 11.1690 12.1286 12.1286 12.3160 12.3160 14.2028 14.2028 14.3456 14.3456 16.2865 16.2865 k =-0.1999 0.3280 0.3841 ( 3227 PWs) bands (ev): -22.9506 -22.9506 -5.8523 -5.8523 -4.7811 -4.7811 -4.6817 -4.6817 1.6632 1.6632 2.8032 2.8032 4.9108 4.9108 5.1885 5.1885 5.3498 5.3498 5.5171 5.5171 5.9095 5.9095 6.3746 6.3746 6.6422 6.6422 6.7623 6.7623 6.9960 6.9960 7.0775 7.0775 8.4777 8.4777 9.9551 9.9551 11.1576 11.1576 12.1451 12.1451 12.2411 12.2411 14.2065 14.2065 14.3714 14.3714 16.3642 16.3642 k =-0.1930 0.3167 0.3709 ( 3223 PWs) bands (ev): -22.9507 -22.9507 -5.8512 -5.8512 -4.7788 -4.7788 -4.6816 -4.6816 1.5997 1.5997 2.8206 2.8206 4.8957 4.8957 5.1765 5.1765 5.3569 5.3569 5.5175 5.5175 5.9336 5.9336 6.3811 6.3811 6.6655 6.6655 6.7900 6.7900 7.0337 7.0337 7.1068 7.1068 8.5261 8.5261 9.8641 9.8641 11.1515 11.1515 12.0771 12.0771 12.2513 12.2513 14.2102 14.2102 14.3906 14.3906 16.4366 16.4366 k =-0.1861 0.3054 0.3576 ( 3217 PWs) bands (ev): -22.9509 -22.9509 -5.8501 -5.8501 -4.7763 -4.7763 -4.6815 -4.6815 1.5356 1.5356 2.8339 2.8339 4.8826 4.8826 5.1636 5.1636 5.3606 5.3606 5.5174 5.5174 5.9618 5.9618 6.3886 6.3886 6.6788 6.6788 6.8354 6.8354 7.0697 7.0697 7.1420 7.1420 8.5728 8.5728 9.7746 9.7746 11.1510 11.1510 11.9783 11.9783 12.2933 12.2933 14.2133 14.2133 14.4026 14.4026 16.4999 16.5000 k =-0.1792 0.2941 0.3444 ( 3217 PWs) bands (ev): -22.9510 -22.9510 -5.8489 -5.8489 -4.7736 -4.7736 -4.6813 -4.6813 1.4714 1.4714 2.8433 2.8433 4.8714 4.8714 5.1500 5.1500 5.3603 5.3603 5.5177 5.5177 5.9924 5.9924 6.3986 6.3986 6.6880 6.6880 6.8901 6.8901 7.1058 7.1058 7.1829 7.1829 8.6176 8.6176 9.6869 9.6869 11.1562 11.1562 11.8753 11.8753 12.3405 12.3405 14.2151 14.2151 14.4068 14.4068 16.5496 16.5496 k =-0.1723 0.2828 0.3312 ( 3217 PWs) bands (ev): -22.9512 -22.9512 -5.8476 -5.8476 -4.7708 -4.7708 -4.6811 -4.6811 1.4073 1.4073 2.8489 2.8489 4.8618 4.8618 5.1358 5.1358 5.3557 5.3557 5.5193 5.5193 6.0240 6.0240 6.4118 6.4118 6.6977 6.6977 6.9460 6.9460 7.1460 7.1460 7.2283 7.2283 8.6602 8.6602 9.6008 9.6008 11.1671 11.1671 11.7715 11.7715 12.3898 12.3898 14.2149 14.2149 14.4031 14.4031 16.5802 16.5802 k =-0.1655 0.2715 0.3179 ( 3211 PWs) bands (ev): -22.9514 -22.9514 -5.8463 -5.8463 -4.7678 -4.7678 -4.6809 -4.6809 1.3438 1.3438 2.8510 2.8510 4.8536 4.8536 5.1213 5.1213 5.3471 5.3471 5.5222 5.5222 6.0556 6.0556 6.4284 6.4284 6.7101 6.7101 6.9970 6.9970 7.1950 7.1950 7.2776 7.2776 8.7002 8.7002 9.5167 9.5167 11.1836 11.1836 11.6678 11.6678 12.4405 12.4405 14.2115 14.2115 14.3917 14.3917 16.5862 16.5862 k =-0.1586 0.2602 0.3047 ( 3213 PWs) bands (ev): -22.9515 -22.9515 -5.8449 -5.8449 -4.7648 -4.7648 -4.6806 -4.6806 1.2810 1.2810 2.8500 2.8500 4.8466 4.8466 5.1066 5.1066 5.3351 5.3351 5.5261 5.5261 6.0864 6.0864 6.4478 6.4478 6.7266 6.7266 7.0391 7.0391 7.2548 7.2548 7.3312 7.3312 8.7376 8.7376 9.4346 9.4346 11.2055 11.2055 11.5650 11.5650 12.4923 12.4923 14.2039 14.2039 14.3728 14.3728 16.5631 16.5631 k =-0.1517 0.2488 0.2914 ( 3223 PWs) bands (ev): -22.9517 -22.9517 -5.8435 -5.8435 -4.7617 -4.7617 -4.6803 -4.6803 1.2193 1.2193 2.8462 2.8462 4.8406 4.8406 5.0919 5.0919 5.3204 5.3204 5.5306 5.5306 6.1162 6.1162 6.4692 6.4692 6.7479 6.7479 7.0724 7.0724 7.3215 7.3215 7.3924 7.3924 8.7718 8.7718 9.3549 9.3549 11.2315 11.2315 11.4646 11.4646 12.5450 12.5450 14.1905 14.1905 14.3474 14.3474 16.5114 16.5114 k =-0.1448 0.2375 0.2782 ( 3215 PWs) bands (ev): -22.9519 -22.9519 -5.8420 -5.8420 -4.7586 -4.7586 -4.6799 -4.6799 1.1589 1.1589 2.8400 2.8400 4.8354 4.8354 5.0771 5.0771 5.3035 5.3035 5.5353 5.5353 6.1449 6.1449 6.4917 6.4917 6.7745 6.7745 7.0992 7.0992 7.3867 7.3867 7.4667 7.4667 8.8026 8.8026 9.2778 9.2778 11.2542 11.2542 11.3740 11.3740 12.5986 12.5986 14.1698 14.1698 14.3163 14.3163 16.4389 16.4389 k =-0.1379 0.2262 0.2649 ( 3211 PWs) bands (ev): -22.9521 -22.9521 -5.8406 -5.8406 -4.7556 -4.7556 -4.6793 -4.6793 1.1000 1.1000 2.8316 2.8316 4.8309 4.8309 5.0626 5.0626 5.2850 5.2850 5.5399 5.5399 6.1728 6.1728 6.5143 6.5143 6.8063 6.8063 7.1217 7.1217 7.4460 7.4460 7.5556 7.5556 8.8294 8.8294 9.2042 9.2042 11.2246 11.2246 11.3423 11.3423 12.6528 12.6528 14.1401 14.1401 14.2806 14.2806 16.3558 16.3558 k =-0.1310 0.2149 0.2517 ( 3213 PWs) bands (ev): -22.9523 -22.9523 -5.8391 -5.8391 -4.7525 -4.7525 -4.6787 -4.6787 1.0429 1.0429 2.8215 2.8215 4.8269 4.8269 5.0483 5.0483 5.2654 5.2654 5.5441 5.5441 6.2001 6.2001 6.5364 6.5364 6.8428 6.8428 7.1415 7.1415 7.5016 7.5016 7.6550 7.6550 8.8511 8.8511 9.1353 9.1353 11.1364 11.1364 11.3757 11.3757 12.7076 12.7076 14.0999 14.0999 14.2412 14.2412 16.2706 16.2706 k =-0.1241 0.2036 0.2384 ( 3207 PWs) bands (ev): -22.9525 -22.9525 -5.8377 -5.8377 -4.7496 -4.7496 -4.6779 -4.6779 0.9877 0.9877 2.8100 2.8100 4.8235 4.8235 5.0344 5.0344 5.2451 5.2451 5.5478 5.5478 6.2269 6.2269 6.5579 6.5579 6.8832 6.8832 7.1594 7.1594 7.5554 7.5554 7.7616 7.7616 8.8652 8.8652 9.0742 9.0742 11.0391 11.0391 11.4246 11.4246 12.7627 12.7627 14.0484 14.0484 14.1986 14.1986 16.1895 16.1895 k =-0.1172 0.1923 0.2252 ( 3203 PWs) bands (ev): -22.9527 -22.9527 -5.8362 -5.8362 -4.7468 -4.7468 -4.6770 -4.6770 0.9346 0.9346 2.7975 2.7975 4.8205 4.8205 5.0209 5.0209 5.2244 5.2244 5.5511 5.5511 6.2535 6.2535 6.5787 6.5787 6.9266 6.9266 7.1758 7.1758 7.6083 7.6083 7.8728 7.8728 8.8660 8.8660 9.0269 9.0269 10.9409 10.9409 11.4809 11.4809 12.8179 12.8179 13.9850 13.9850 14.1533 14.1533 16.1166 16.1166 k =-0.1103 0.1810 0.2119 ( 3199 PWs) bands (ev): -22.9529 -22.9529 -5.8348 -5.8348 -4.7441 -4.7441 -4.6759 -4.6759 0.8838 0.8838 2.7841 2.7841 4.8179 4.8179 5.0079 5.0079 5.2036 5.2036 5.5539 5.5539 6.2797 6.2797 6.5991 6.5991 6.9719 6.9719 7.1911 7.1911 7.6606 7.6606 7.9871 7.9871 8.8464 8.8464 9.0017 9.0017 10.8434 10.8434 11.5426 11.5426 12.8729 12.8729 13.9099 13.9099 14.1057 14.1057 16.0544 16.0544 k =-0.1034 0.1697 0.1987 ( 3203 PWs) bands (ev): -22.9531 -22.9531 -5.8335 -5.8335 -4.7416 -4.7416 -4.6747 -4.6747 0.8353 0.8353 2.7703 2.7703 4.8156 4.8156 4.9955 4.9955 5.1828 5.1828 5.5562 5.5562 6.3054 6.3054 6.6192 6.6192 7.0183 7.0183 7.2054 7.2054 7.7121 7.7121 8.1024 8.1024 8.8104 8.8104 8.9963 8.9963 10.7471 10.7471 11.6089 11.6089 12.9271 12.9271 13.8233 13.8233 14.0565 14.0565 16.0044 16.0044 k =-0.0965 0.1584 0.1854 ( 3205 PWs) bands (ev): -22.9533 -22.9533 -5.8321 -5.8321 -4.7394 -4.7394 -4.6733 -4.6733 0.7895 0.7895 2.7562 2.7562 4.8135 4.8135 4.9836 4.9836 5.1625 5.1625 5.5582 5.5582 6.3306 6.3306 6.6391 6.6391 7.0648 7.0648 7.2188 7.2188 7.7626 7.7626 8.2152 8.2152 8.7713 8.7713 9.0004 9.0004 10.6526 10.6526 11.6792 11.6792 12.9798 12.9798 13.7263 13.7263 14.0066 14.0066 15.9667 15.9667 k =-0.0896 0.1470 0.1722 ( 3205 PWs) bands (ev): -22.9535 -22.9535 -5.8309 -5.8309 -4.7373 -4.7373 -4.6718 -4.6718 0.7463 0.7463 2.7421 2.7421 4.8117 4.8117 4.9724 4.9724 5.1426 5.1426 5.5599 5.5599 6.3550 6.3550 6.6590 6.6590 7.1109 7.1109 7.2315 7.2315 7.8114 7.8114 8.3194 8.3194 8.7417 8.7417 9.0077 9.0077 10.5603 10.5603 11.7527 11.7527 13.0296 13.0296 13.6212 13.6212 13.9567 13.9567 15.9408 15.9408 k =-0.0827 0.1357 0.1590 ( 3209 PWs) bands (ev): -22.9536 -22.9536 -5.8296 -5.8296 -4.7355 -4.7355 -4.6701 -4.6701 0.7059 0.7059 2.7283 2.7283 4.8101 4.8101 4.9619 4.9619 5.1234 5.1234 5.5613 5.5613 6.3784 6.3784 6.6790 6.6790 7.1558 7.1558 7.2437 7.2437 7.8575 7.8575 8.4019 8.4019 8.7373 8.7373 9.0159 9.0159 10.4708 10.4708 11.8287 11.8287 13.0733 13.0733 13.5124 13.5124 13.9076 13.9076 15.9255 15.9255 k =-0.0758 0.1244 0.1457 ( 3205 PWs) bands (ev): -22.9538 -22.9538 -5.8285 -5.8285 -4.7340 -4.7340 -4.6684 -4.6684 0.6684 0.6684 2.7149 2.7149 4.8088 4.8088 4.9522 4.9522 5.1051 5.1051 5.5625 5.5625 6.4005 6.4005 6.6990 6.6990 7.1986 7.1986 7.2557 7.2557 7.8994 7.8994 8.4463 8.4463 8.7753 8.7753 9.0244 9.0244 10.3847 10.3847 11.9065 11.9065 13.1024 13.1024 13.4101 13.4101 13.8597 13.8597 15.9194 15.9194 k =-0.0689 0.1131 0.1325 ( 3207 PWs) bands (ev): -22.9539 -22.9539 -5.8274 -5.8274 -4.7326 -4.7326 -4.6667 -4.6667 0.6338 0.6338 2.7021 2.7021 4.8076 4.8076 4.9432 4.9432 5.0878 5.0878 5.5636 5.5636 6.4211 6.4211 6.7189 6.7189 7.2370 7.2370 7.2698 7.2698 7.9351 7.9351 8.4567 8.4567 8.8514 8.8514 9.0343 9.0343 10.3031 10.3031 11.9851 11.9851 13.0923 13.0923 13.3405 13.3405 13.8135 13.8135 15.9206 15.9206 k =-0.0620 0.1018 0.1192 ( 3219 PWs) bands (ev): -22.9541 -22.9541 -5.8265 -5.8265 -4.7314 -4.7314 -4.6649 -4.6649 0.6023 0.6023 2.6901 2.6901 4.8065 4.8065 4.9352 4.9352 5.0715 5.0715 5.5645 5.5645 6.4401 6.4401 6.7385 6.7385 7.2623 7.2623 7.2944 7.2944 7.9620 7.9620 8.4546 8.4546 8.9389 8.9389 9.0511 9.0511 10.2270 10.2270 12.0635 12.0635 13.0195 13.0195 13.3290 13.3290 13.7692 13.7692 15.9269 15.9269 k =-0.0552 0.0905 0.1060 ( 3223 PWs) bands (ev): -22.9542 -22.9542 -5.8256 -5.8256 -4.7305 -4.7305 -4.6632 -4.6632 0.5740 0.5740 2.6790 2.6790 4.8056 4.8056 4.9280 4.9280 5.0565 5.0565 5.5654 5.5654 6.4572 6.4572 6.7576 6.7576 7.2748 7.2748 7.3289 7.3289 7.9778 7.9778 8.4551 8.4551 8.9988 8.9988 9.0988 9.0988 10.1584 10.1584 12.1406 12.1406 12.9099 12.9099 13.3516 13.3516 13.7273 13.7273 15.9281 15.9281 k =-0.0483 0.0792 0.0927 ( 3211 PWs) bands (ev): -22.9543 -22.9543 -5.8248 -5.8248 -4.7297 -4.7297 -4.6616 -4.6616 0.5488 0.5488 2.6689 2.6689 4.8048 4.8048 4.9219 4.9219 5.0428 5.0428 5.5661 5.5661 6.4725 6.4725 6.7758 6.7758 7.2834 7.2834 7.3643 7.3643 7.9815 7.9815 8.4642 8.4642 9.0184 9.0184 9.1811 9.1811 10.0997 10.0997 12.2150 12.2150 12.7901 12.7901 13.3839 13.3839 13.6880 13.6880 15.8639 15.8639 k =-0.0414 0.0679 0.0795 ( 3219 PWs) bands (ev): -22.9544 -22.9544 -5.8241 -5.8241 -4.7290 -4.7290 -4.6601 -4.6601 0.5268 0.5268 2.6599 2.6599 4.8041 4.8041 4.9166 4.9166 5.0306 5.0306 5.5667 5.5667 6.4857 6.4857 6.7927 6.7927 7.2903 7.2903 7.3981 7.3981 7.9744 7.9744 8.4827 8.4827 9.0252 9.0252 9.2638 9.2638 10.0539 10.0539 12.2852 12.2852 12.6710 12.6710 13.4172 13.4172 13.6517 13.6517 15.7876 15.7876 k =-0.0345 0.0566 0.0662 ( 3215 PWs) bands (ev): -22.9545 -22.9545 -5.8235 -5.8235 -4.7285 -4.7285 -4.6588 -4.6588 0.5082 0.5082 2.6522 2.6522 4.8035 4.8035 4.9124 4.9124 5.0199 5.0199 5.5673 5.5673 6.4970 6.4970 6.8081 6.8081 7.2960 7.2960 7.4296 7.4296 7.9596 7.9596 8.5082 8.5082 9.0281 9.0281 9.3323 9.3323 10.0247 10.0247 12.3490 12.3490 12.5591 12.5591 13.4480 13.4480 13.6189 13.6189 15.7183 15.7183 k =-0.0276 0.0452 0.0530 ( 3211 PWs) bands (ev): -22.9546 -22.9546 -5.8230 -5.8230 -4.7281 -4.7281 -4.6577 -4.6577 0.4929 0.4929 2.6458 2.6458 4.8029 4.8029 4.9091 4.9091 5.0109 5.0109 5.5677 5.5677 6.5062 6.5062 6.8213 6.8213 7.3006 7.3006 7.4579 7.4579 7.9407 7.9407 8.5369 8.5369 9.0291 9.0291 9.3806 9.3806 10.0136 10.0136 12.3994 12.3994 12.4643 12.4643 13.4744 13.4744 13.5906 13.5906 15.6587 15.6587 k =-0.0207 0.0339 0.0397 ( 3207 PWs) bands (ev): -22.9547 -22.9547 -5.8226 -5.8226 -4.7278 -4.7278 -4.6567 -4.6567 0.4810 0.4810 2.6408 2.6408 4.8025 4.8025 4.9067 4.9067 5.0037 5.0037 5.5681 5.5681 6.5133 6.5133 6.8321 6.8321 7.3041 7.3041 7.4822 7.4822 7.9213 7.9213 8.5647 8.5647 9.0289 9.0289 9.4085 9.4085 10.0183 10.0183 12.3631 12.3631 12.4623 12.4623 13.4950 13.4950 13.5679 13.5679 15.6104 15.6104 k =-0.0138 0.0226 0.0265 ( 3199 PWs) bands (ev): -22.9547 -22.9547 -5.8223 -5.8223 -4.7276 -4.7276 -4.6561 -4.6561 0.4724 0.4724 2.6371 2.6371 4.8022 4.8022 4.9050 4.9050 4.9984 4.9984 5.5683 5.5683 6.5184 6.5184 6.8401 6.8401 7.3067 7.3067 7.5013 7.5013 7.9045 7.9045 8.5880 8.5880 9.0281 9.0281 9.4207 9.4207 10.0315 10.0315 12.3003 12.3003 12.4955 12.4955 13.5079 13.5079 13.5530 13.5530 15.5748 15.5748 k =-0.0069 0.0113 0.0132 ( 3197 PWs) bands (ev): -22.9547 -22.9547 -5.8221 -5.8221 -4.7275 -4.7275 -4.6557 -4.6557 0.4673 0.4673 2.6349 2.6349 4.8020 4.8020 4.9041 4.9041 4.9952 4.9952 5.5685 5.5685 6.5214 6.5214 6.8450 6.8450 7.3082 7.3082 7.5136 7.5136 7.8930 7.8930 8.6036 8.6036 9.0273 9.0273 9.4244 9.4244 10.0441 10.0441 12.2596 12.2596 12.5174 12.5174 13.5123 13.5123 13.5471 13.5471 15.5530 15.5530 k = 0.0000 0.0000 0.0000 ( 3189 PWs) bands (ev): -22.9547 -22.9547 -5.8221 -5.8221 -4.7274 -4.7274 -4.6555 -4.6555 0.4656 0.4656 2.6342 2.6342 4.8019 4.8019 4.9038 4.9038 4.9942 4.9942 5.5686 5.5686 6.5224 6.5224 6.8467 6.8467 7.3087 7.3087 7.5179 7.5179 7.8889 7.8889 8.6091 8.6091 9.0269 9.0269 9.4250 9.4250 10.0491 10.0491 12.2456 12.2456 12.5249 12.5249 13.5125 13.5125 13.5463 13.5463 15.5456 15.5456 k = 0.0000 0.0000 0.0000 ( 3189 PWs) bands (ev): -22.9547 -22.9547 -5.8221 -5.8221 -4.7274 -4.7274 -4.6555 -4.6555 0.4656 0.4656 2.6342 2.6342 4.8019 4.8019 4.9038 4.9038 4.9942 4.9942 5.5686 5.5686 6.5224 6.5224 6.8467 6.8467 7.3087 7.3087 7.5179 7.5179 7.8889 7.8889 8.6091 8.6091 9.0269 9.0269 9.4250 9.4250 10.0491 10.0491 12.2456 12.2456 12.5249 12.5249 13.5125 13.5125 13.5463 13.5463 15.5456 15.5456 k = 0.0161 0.0098 0.0000 ( 3205 PWs) bands (ev): -22.9547 -22.9547 -5.8221 -5.8221 -4.7275 -4.7275 -4.6555 -4.6555 0.4669 0.4669 2.6330 2.6330 4.8019 4.8019 4.9044 4.9044 4.9940 4.9940 5.5684 5.5684 6.5218 6.5218 6.8466 6.8466 7.3079 7.3079 7.5178 7.5178 7.8827 7.8827 8.6020 8.6020 9.0424 9.0424 9.4254 9.4254 10.0492 10.0492 12.2268 12.2268 12.5480 12.5480 13.5153 13.5153 13.5489 13.5489 15.5381 15.5381 k = 0.0323 0.0197 0.0000 ( 3205 PWs) bands (ev): -22.9547 -22.9547 -5.8223 -5.8223 -4.7279 -4.7279 -4.6555 -4.6555 0.4709 0.4709 2.6294 2.6294 4.8020 4.8020 4.9061 4.9061 4.9935 4.9935 5.5678 5.5678 6.5199 6.5199 6.8461 6.8461 7.3056 7.3056 7.5176 7.5176 7.8641 7.8641 8.5840 8.5840 9.0852 9.0852 9.4266 9.4266 10.0494 10.0494 12.1824 12.1824 12.6051 12.6051 13.5237 13.5237 13.5568 13.5568 15.5170 15.5170 k = 0.0484 0.0295 0.0000 ( 3221 PWs) bands (ev): -22.9547 -22.9547 -5.8225 -5.8225 -4.7285 -4.7285 -4.6554 -4.6554 0.4776 0.4776 2.6234 2.6234 4.8021 4.8021 4.9090 4.9090 4.9927 4.9927 5.5669 5.5669 6.5166 6.5166 6.8454 6.8454 7.3018 7.3018 7.5173 7.5173 7.8343 7.8343 8.5611 8.5611 9.1484 9.1484 9.4287 9.4287 10.0497 10.0497 12.1283 12.1283 12.6804 12.6804 13.5376 13.5376 13.5698 13.5698 15.4858 15.4858 k = 0.0645 0.0393 0.0000 ( 3221 PWs) bands (ev): -22.9547 -22.9547 -5.8228 -5.8228 -4.7293 -4.7293 -4.6554 -4.6554 0.4870 0.4870 2.6151 2.6151 4.8023 4.8023 4.9131 4.9131 4.9915 4.9915 5.5657 5.5657 6.5119 6.5119 6.8445 6.8445 7.2965 7.2965 7.5168 7.5168 7.7946 7.7946 8.5382 8.5382 9.2260 9.2260 9.4315 9.4315 10.0503 10.0503 12.0721 12.0721 12.7663 12.7663 13.5569 13.5569 13.5880 13.5880 15.4483 15.4483 k = 0.0806 0.0492 0.0000 ( 3221 PWs) bands (ev): -22.9547 -22.9547 -5.8231 -5.8231 -4.7304 -4.7304 -4.6553 -4.6553 0.4989 0.4989 2.6045 2.6045 4.8025 4.8025 4.9181 4.9181 4.9900 4.9900 5.5642 5.5642 6.5056 6.5056 6.8432 6.8432 7.2899 7.2899 7.5162 7.5162 7.7469 7.7469 8.5175 8.5175 9.3139 9.3139 9.4351 9.4351 10.0513 10.0513 12.0167 12.0167 12.8597 12.8597 13.5816 13.5816 13.6113 13.6113 15.4074 15.4074 k = 0.0968 0.0590 0.0000 ( 3233 PWs) bands (ev): -22.9547 -22.9547 -5.8236 -5.8236 -4.7316 -4.7316 -4.6552 -4.6552 0.5133 0.5133 2.5918 2.5918 4.8027 4.8027 4.9242 4.9242 4.9883 4.9883 5.5623 5.5623 6.4976 6.4976 6.8417 6.8417 7.2820 7.2820 7.5154 7.5154 7.6932 7.6932 8.4998 8.4998 9.4094 9.4094 9.4394 9.4394 10.0529 10.0529 11.9634 11.9634 12.9591 12.9591 13.6115 13.6115 13.6398 13.6398 15.3650 15.3650 k = 0.1129 0.0688 0.0000 ( 3233 PWs) bands (ev): -22.9547 -22.9547 -5.8241 -5.8241 -4.7331 -4.7331 -4.6550 -4.6550 0.5302 0.5302 2.5772 2.5772 4.8030 4.8030 4.9311 4.9311 4.9862 4.9862 5.5603 5.5603 6.4876 6.4876 6.8400 6.8400 7.2729 7.2729 7.5145 7.5145 7.6354 7.6354 8.4851 8.4851 9.4445 9.4445 9.5107 9.5107 10.0554 10.0554 11.9127 11.9127 13.0639 13.0639 13.6464 13.6464 13.6733 13.6733 15.3225 15.3225 k = 0.1290 0.0786 0.0000 ( 3232 PWs) bands (ev): -22.9546 -22.9546 -5.8247 -5.8247 -4.7347 -4.7347 -4.6549 -4.6549 0.5494 0.5494 2.5606 2.5606 4.8033 4.8033 4.9388 4.9388 4.9840 4.9840 5.5580 5.5580 6.4755 6.4755 6.8380 6.8380 7.2628 7.2628 7.5134 7.5134 7.5752 7.5752 8.4729 8.4729 9.4503 9.4503 9.6162 9.6162 10.0594 10.0594 11.8648 11.8648 13.1736 13.1736 13.6861 13.6861 13.7117 13.7117 15.2808 15.2808 k = 0.1452 0.0885 0.0000 ( 3232 PWs) bands (ev): -22.9546 -22.9546 -5.8253 -5.8253 -4.7365 -4.7365 -4.6547 -4.6547 0.5708 0.5708 2.5423 2.5423 4.8036 4.8036 4.9472 4.9472 4.9815 4.9815 5.5557 5.5557 6.4609 6.4609 6.8358 6.8358 7.2518 7.2518 7.5122 7.5122 7.5143 7.5143 8.4629 8.4629 9.4567 9.4567 9.7238 9.7238 10.0666 10.0666 11.8199 11.8199 13.2880 13.2880 13.7304 13.7304 13.7552 13.7552 15.2405 15.2405 k = 0.1613 0.0983 0.0000 ( 3236 PWs) bands (ev): -22.9546 -22.9546 -5.8260 -5.8260 -4.7384 -4.7384 -4.6545 -4.6545 0.5943 0.5943 2.5225 2.5225 4.8040 4.8040 4.9562 4.9562 4.9788 4.9788 5.5532 5.5532 6.4437 6.4437 6.8334 6.8334 7.2400 7.2400 7.4539 7.4539 7.5108 7.5108 8.4546 8.4546 9.4638 9.4638 9.8292 9.8292 10.0807 10.0807 11.7780 11.7780 13.4067 13.4067 13.7789 13.7789 13.8036 13.8036 15.2021 15.2021 k = 0.1774 0.1081 0.0000 ( 3240 PWs) bands (ev): -22.9546 -22.9546 -5.8267 -5.8267 -4.7405 -4.7405 -4.6544 -4.6544 0.6198 0.6198 2.5012 2.5012 4.8044 4.8044 4.9657 4.9657 4.9759 4.9759 5.5508 5.5508 6.4235 6.4235 6.8308 6.8308 7.2275 7.2275 7.3951 7.3951 7.5094 7.5094 8.4477 8.4477 9.4714 9.4714 9.9211 9.9211 10.1129 10.1129 11.7389 11.7389 13.5293 13.5293 13.8314 13.8314 13.8572 13.8572 15.1659 15.1659 k = 0.1935 0.1180 0.0000 ( 3240 PWs) bands (ev): -22.9545 -22.9545 -5.8275 -5.8275 -4.7426 -4.7426 -4.6542 -4.6542 0.6471 0.6471 2.4787 2.4787 4.8048 4.8048 4.9729 4.9729 4.9756 4.9756 5.5484 5.5484 6.4000 6.4000 6.8281 6.8281 7.2145 7.2145 7.3390 7.3390 7.5078 7.5078 8.4418 8.4418 9.4796 9.4796 9.9799 9.9799 10.1825 10.1825 11.7026 11.7026 13.6552 13.6552 13.8876 13.8876 13.9161 13.9161 15.1320 15.1320 k = 0.2097 0.1278 0.0000 ( 3232 PWs) bands (ev): -22.9545 -22.9545 -5.8283 -5.8283 -4.7448 -4.7448 -4.6540 -4.6540 0.6760 0.6760 2.4551 2.4551 4.8052 4.8052 4.9697 4.9697 4.9857 4.9857 5.5461 5.5461 6.3732 6.3732 6.8252 6.8252 7.2012 7.2012 7.2863 7.2863 7.5061 7.5061 8.4367 8.4367 9.4882 9.4882 10.0072 10.0072 10.2878 10.2878 11.6690 11.6690 13.7830 13.7830 13.9469 13.9469 13.9816 13.9816 15.1006 15.1006 k = 0.2258 0.1376 0.0000 ( 3244 PWs) bands (ev): -22.9545 -22.9545 -5.8291 -5.8291 -4.7470 -4.7470 -4.6538 -4.6538 0.7063 0.7063 2.4306 2.4306 4.8057 4.8057 4.9665 4.9665 4.9960 4.9960 5.5441 5.5441 6.3430 6.3430 6.8223 6.8223 7.1877 7.1877 7.2376 7.2376 7.5044 7.5044 8.4324 8.4324 9.4971 9.4971 10.0205 10.0205 10.4111 10.4111 11.6379 11.6379 13.9097 13.9097 14.0090 14.0090 14.0564 14.0564 15.0720 15.0720 k = 0.2419 0.1475 0.0000 ( 3244 PWs) bands (ev): -22.9544 -22.9544 -5.8300 -5.8300 -4.7493 -4.7493 -4.6536 -4.6536 0.7379 0.7379 2.4053 2.4053 4.8062 4.8062 4.9633 4.9633 5.0063 5.0063 5.5424 5.5424 6.3094 6.3094 6.8192 6.8192 7.1740 7.1740 7.1932 7.1932 7.5027 7.5027 8.4286 8.4286 9.5063 9.5063 10.0286 10.0286 10.5435 10.5435 11.6094 11.6094 14.0274 14.0274 14.0733 14.0733 14.1479 14.1479 15.0463 15.0463 k = 0.2581 0.1573 0.0000 ( 3252 PWs) bands (ev): -22.9544 -22.9544 -5.8308 -5.8308 -4.7515 -4.7515 -4.6533 -4.6533 0.7704 0.7704 2.3795 2.3795 4.8066 4.8066 4.9600 4.9600 5.0166 5.0166 5.5412 5.5412 6.2727 6.2727 6.8161 6.8161 7.1534 7.1534 7.1604 7.1604 7.5009 7.5009 8.4253 8.4253 9.5157 9.5157 10.0345 10.0345 10.6819 10.6819 11.5832 11.5832 14.1280 14.1280 14.1391 14.1391 14.2641 14.2641 15.0236 15.0236 k = 0.2742 0.1671 0.0000 ( 3252 PWs) bands (ev): -22.9543 -22.9543 -5.8317 -5.8317 -4.7538 -4.7538 -4.6531 -4.6531 0.8037 0.8037 2.3533 2.3533 4.8071 4.8071 4.9568 4.9568 5.0267 5.0267 5.5406 5.5406 6.2332 6.2332 6.8130 6.8130 7.1181 7.1181 7.1471 7.1471 7.4992 7.4992 8.4223 8.4223 9.5252 9.5252 10.0394 10.0394 10.8250 10.8250 11.5592 11.5592 14.2054 14.2054 14.2161 14.2161 14.3999 14.3999 15.0044 15.0044 k = 0.2903 0.1769 0.0000 ( 3236 PWs) bands (ev): -22.9543 -22.9543 -5.8325 -5.8325 -4.7560 -4.7560 -4.6529 -4.6529 0.8375 0.8375 2.3270 2.3270 4.8076 4.8076 4.9536 4.9536 5.0366 5.0366 5.5406 5.5406 6.1914 6.1914 6.8100 6.8100 7.0871 7.0871 7.1340 7.1340 7.4975 7.4975 8.4197 8.4197 9.5347 9.5347 10.0438 10.0438 10.9721 10.9721 11.5374 11.5374 14.2714 14.2714 14.3002 14.3002 14.5462 14.5462 14.9891 14.9891 k = 0.3065 0.1868 0.0000 ( 3248 PWs) bands (ev): -22.9543 -22.9543 -5.8334 -5.8334 -4.7581 -4.7581 -4.6527 -4.6527 0.8714 0.8714 2.3006 2.3006 4.8081 4.8081 4.9505 4.9505 5.0461 5.0461 5.5415 5.5415 6.1480 6.1480 6.8070 6.8070 7.0603 7.0603 7.1213 7.1213 7.4958 7.4958 8.4174 8.4174 9.5441 9.5441 10.0480 10.0480 11.1228 11.1228 11.5176 11.5176 14.3355 14.3355 14.3839 14.3839 14.6988 14.6988 14.9781 14.9781 k = 0.3226 0.1966 0.0000 ( 3260 PWs) bands (ev): -22.9543 -22.9543 -5.8342 -5.8342 -4.7601 -4.7601 -4.6525 -4.6525 0.9052 0.9052 2.2745 2.2745 4.8086 4.8086 4.9475 4.9475 5.0552 5.0552 5.5434 5.5434 6.1035 6.1035 6.8041 6.8041 7.0372 7.0372 7.1092 7.1092 7.4942 7.4942 8.4153 8.4153 9.5532 9.5532 10.0520 10.0520 11.2768 11.2768 11.4997 11.4997 14.3960 14.3960 14.4685 14.4685 14.8559 14.8559 14.9723 14.9723 k = 0.3387 0.2064 0.0000 ( 3256 PWs) bands (ev): -22.9542 -22.9542 -5.8349 -5.8349 -4.7620 -4.7620 -4.6523 -4.6523 0.9384 0.9384 2.2489 2.2489 4.8090 4.8090 4.9447 4.9447 5.0638 5.0638 5.5463 5.5463 6.0587 6.0587 6.8013 6.8013 7.0174 7.0174 7.0978 7.0978 7.4926 7.4926 8.4135 8.4135 9.5621 9.5621 10.0558 10.0558 11.4338 11.4338 11.4837 11.4837 14.4502 14.4502 14.5541 14.5541 14.9725 14.9725 15.0165 15.0165 k = 0.3548 0.2163 0.0000 ( 3240 PWs) bands (ev): -22.9542 -22.9542 -5.8356 -5.8356 -4.7638 -4.7638 -4.6522 -4.6522 0.9707 0.9707 2.2241 2.2241 4.8094 4.8094 4.9420 4.9420 5.0718 5.0718 5.5506 5.5506 6.0141 6.0141 6.7987 6.7987 7.0006 7.0006 7.0871 7.0871 7.4912 7.4912 8.4119 8.4119 9.5704 9.5704 10.0595 10.0595 11.4694 11.4694 11.5933 11.5933 14.4949 14.4949 14.6404 14.6404 14.9788 14.9788 15.1799 15.1799 k = 0.3710 0.2261 0.0000 ( 3240 PWs) bands (ev): -22.9542 -22.9542 -5.8363 -5.8363 -4.7655 -4.7655 -4.6520 -4.6520 1.0016 1.0016 2.2003 2.2003 4.8098 4.8098 4.9396 4.9396 5.0791 5.0791 5.5564 5.5564 5.9703 5.9703 6.7963 6.7963 6.9865 6.9865 7.0773 7.0773 7.4899 7.4899 8.4105 8.4105 9.5782 9.5782 10.0629 10.0629 11.4569 11.4569 11.7550 11.7550 14.5246 14.5246 14.7267 14.7267 14.9800 14.9800 15.0616 15.0616 k = 0.3871 0.2359 0.0000 ( 3240 PWs) bands (ev): -22.9541 -22.9541 -5.8369 -5.8369 -4.7669 -4.7669 -4.6519 -4.6519 1.0307 1.0307 2.1778 2.1778 4.8102 4.8102 4.9373 4.9373 5.0857 5.0857 5.5637 5.5637 5.9279 5.9279 6.7941 6.7941 6.9746 6.9746 7.0685 7.0685 7.4887 7.4887 8.4093 8.4093 9.5854 9.5854 10.0661 10.0661 11.4460 11.4460 11.9182 11.9182 14.5275 14.5275 14.8121 14.8121 14.8674 14.8674 15.0334 15.0334 k = 0.4032 0.2458 0.0000 ( 3240 PWs) bands (ev): -22.9541 -22.9541 -5.8374 -5.8374 -4.7683 -4.7683 -4.6517 -4.6517 1.0575 1.0575 2.1571 2.1571 4.8105 4.8105 4.9354 4.9354 5.0915 5.0915 5.5728 5.5728 5.8872 5.8872 6.7921 6.7921 6.9649 6.9649 7.0606 7.0606 7.4877 7.4877 8.4082 8.4082 9.5919 9.5919 10.0691 10.0691 11.4366 11.4366 12.0819 12.0819 14.4741 14.4741 14.7559 14.7559 14.8953 14.8953 15.0602 15.0602 k = 0.4194 0.2556 0.0000 ( 3232 PWs) bands (ev): -22.9541 -22.9541 -5.8379 -5.8379 -4.7694 -4.7694 -4.6516 -4.6516 1.0814 1.0814 2.1386 2.1386 4.8108 4.8108 4.9337 4.9337 5.0964 5.0964 5.5836 5.5836 5.8488 5.8488 6.7905 6.7905 6.9570 6.9570 7.0538 7.0538 7.4868 7.4868 8.4073 8.4073 9.5974 9.5974 10.0717 10.0717 11.4288 11.4288 12.2445 12.2445 14.3488 14.3488 14.7106 14.7106 14.9746 14.9746 15.0929 15.0929 k = 0.4355 0.2654 0.0000 ( 3228 PWs) bands (ev): -22.9541 -22.9541 -5.8382 -5.8382 -4.7703 -4.7703 -4.6515 -4.6515 1.1019 1.1019 2.1227 2.1227 4.8111 4.8111 4.9322 4.9322 5.1005 5.1005 5.5963 5.5963 5.8130 5.8130 6.7890 6.7890 6.9507 6.9507 7.0482 7.0482 7.4860 7.4860 8.4066 8.4066 9.6021 9.6021 10.0739 10.0739 11.4224 11.4224 12.4036 12.4036 14.1922 14.1922 14.6980 14.6980 15.0474 15.0474 15.1258 15.1258 k = 0.4516 0.2752 0.0000 ( 3228 PWs) bands (ev): -22.9541 -22.9541 -5.8385 -5.8385 -4.7711 -4.7711 -4.6514 -4.6514 1.1185 1.1185 2.1097 2.1097 4.8113 4.8113 4.9311 4.9311 5.1037 5.1037 5.6106 5.6106 5.7804 5.7804 6.7879 6.7879 6.9460 6.9460 7.0438 7.0438 7.4854 7.4854 8.4061 8.4061 9.6059 9.6059 10.0756 10.0756 11.4175 11.4175 12.5541 12.5541 14.0351 14.0351 14.6946 14.6946 15.1107 15.1107 15.1552 15.1552 k = 0.4677 0.2851 0.0000 ( 3224 PWs) bands (ev): -22.9541 -22.9541 -5.8388 -5.8388 -4.7716 -4.7716 -4.6514 -4.6514 1.1308 1.1308 2.1001 2.1001 4.8114 4.8114 4.9303 4.9303 5.1059 5.1059 5.6257 5.6257 5.7520 5.7520 6.7871 6.7871 6.9427 6.9427 7.0406 7.0406 7.4850 7.4850 8.4057 8.4057 9.6086 9.6086 10.0769 10.0769 11.4140 11.4140 12.6871 12.6871 13.8951 13.8951 14.6936 14.6936 15.1605 15.1605 15.1783 15.1783 k = 0.4839 0.2949 0.0000 ( 3236 PWs) bands (ev): -22.9541 -22.9541 -5.8389 -5.8389 -4.7719 -4.7719 -4.6514 -4.6514 1.1383 1.1383 2.0942 2.0942 4.8115 4.8115 4.9298 4.9298 5.1073 5.1073 5.6395 5.6395 5.7301 5.7301 6.7867 6.7867 6.9407 6.9407 7.0387 7.0387 7.4847 7.4847 8.4054 8.4054 9.6102 9.6102 10.0777 10.0777 11.4120 11.4120 12.7851 12.7851 13.7921 13.7921 14.6933 14.6933 15.1921 15.1921 15.1934 15.1934 k = 0.5000 0.3047 0.0000 ( 3244 PWs) bands (ev): -22.9541 -22.9541 -5.8389 -5.8389 -4.7720 -4.7720 -4.6514 -4.6514 1.1408 1.1408 2.0922 2.0922 4.8116 4.8116 4.9296 4.9296 5.1078 5.1078 5.6459 5.6459 5.7210 5.7210 6.7865 6.7865 6.9401 6.9401 7.0380 7.0380 7.4847 7.4847 8.4054 8.4054 9.6107 9.6107 10.0779 10.0779 11.4113 11.4113 12.8227 12.8227 13.7528 13.7528 14.6932 14.6932 15.1978 15.1978 15.2039 15.2039 k = 0.5000 0.3047 0.0000 ( 3244 PWs) bands (ev): -22.9541 -22.9541 -5.8389 -5.8389 -4.7720 -4.7720 -4.6514 -4.6514 1.1408 1.1408 2.0922 2.0922 4.8116 4.8116 4.9296 4.9296 5.1078 5.1078 5.6459 5.6459 5.7210 5.7210 6.7865 6.7865 6.9401 6.9401 7.0380 7.0380 7.4847 7.4847 8.4054 8.4054 9.6107 9.6107 10.0779 10.0779 11.4113 11.4113 12.8227 12.8227 13.7528 13.7528 14.6932 14.6932 15.1978 15.1978 15.2039 15.2039 k = 0.4932 0.3159 0.0130 ( 3236 PWs) bands (ev): -22.9540 -22.9540 -5.8390 -5.8390 -4.7720 -4.7720 -4.6515 -4.6515 1.1422 1.1422 2.0930 2.0930 4.8116 4.8116 4.9304 4.9304 5.1077 5.1077 5.6467 5.6467 5.7215 5.7215 6.7861 6.7861 6.9402 6.9402 7.0381 7.0381 7.4831 7.4831 8.4002 8.4002 9.6070 9.6070 10.0688 10.0688 11.4268 11.4268 12.8241 12.8241 13.7505 13.7505 14.6961 14.6961 15.1936 15.1936 15.2006 15.2006 k = 0.4864 0.3270 0.0261 ( 3226 PWs) bands (ev): -22.9540 -22.9540 -5.8391 -5.8391 -4.7720 -4.7720 -4.6519 -4.6519 1.1462 1.1462 2.0951 2.0951 4.8119 4.8119 4.9326 4.9326 5.1076 5.1076 5.6488 5.6488 5.7230 5.7230 6.7850 6.7850 6.9404 6.9404 7.0383 7.0383 7.4784 7.4784 8.3850 8.3850 9.5930 9.5930 10.0465 10.0465 11.4709 11.4709 12.8285 12.8285 13.7434 13.7434 14.7045 14.7045 15.1742 15.1742 15.1981 15.1981 k = 0.4796 0.3381 0.0391 ( 3218 PWs) bands (ev): -22.9540 -22.9540 -5.8392 -5.8392 -4.7720 -4.7720 -4.6525 -4.6525 1.1528 1.1528 2.0985 2.0985 4.8123 4.8123 4.9363 4.9363 5.1074 5.1074 5.6524 5.6524 5.7255 5.7255 6.7831 6.7831 6.9407 6.9407 7.0387 7.0387 7.4705 7.4705 8.3605 8.3605 9.5607 9.5607 10.0243 10.0243 11.5374 11.5374 12.8357 12.8357 13.7312 13.7312 14.7179 14.7179 15.1425 15.1425 15.1958 15.1958 k = 0.4729 0.3493 0.0522 ( 3222 PWs) bands (ev): -22.9539 -22.9539 -5.8394 -5.8394 -4.7719 -4.7719 -4.6533 -4.6533 1.1621 1.1621 2.1033 2.1033 4.8130 4.8130 4.9413 4.9413 5.1071 5.1071 5.6573 5.6573 5.7290 5.7290 6.7804 6.7804 6.9412 6.9412 7.0392 7.0392 7.4595 7.4595 8.3281 8.3281 9.5022 9.5022 10.0160 10.0160 11.6191 11.6191 12.8456 12.8456 13.7134 13.7134 14.7349 14.7349 15.1024 15.1024 15.1933 15.1933 k = 0.4661 0.3604 0.0652 ( 3234 PWs) bands (ev): -22.9539 -22.9539 -5.8396 -5.8396 -4.7718 -4.7718 -4.6544 -4.6544 1.1740 1.1740 2.1095 2.1095 4.8139 4.8139 4.9477 4.9477 5.1069 5.1069 5.6634 5.6634 5.7336 5.7336 6.7770 6.7770 6.9417 6.9417 7.0398 7.0398 7.4453 7.4453 8.2889 8.2889 9.4162 9.4162 10.0276 10.0276 11.7094 11.7094 12.8581 12.8581 13.6894 13.6894 14.7532 14.7532 15.0582 15.0582 15.1915 15.1915 k = 0.4593 0.3715 0.0782 ( 3238 PWs) bands (ev): -22.9538 -22.9538 -5.8400 -5.8400 -4.7718 -4.7718 -4.6557 -4.6557 1.1886 1.1886 2.1168 2.1168 4.8153 4.8153 4.9553 4.9553 5.1067 5.1067 5.6705 5.6705 5.7392 5.7392 6.7728 6.7728 6.9421 6.9421 7.0406 7.0406 7.4280 7.4280 8.2445 8.2445 9.3082 9.3082 10.0572 10.0572 11.8032 11.8032 12.8730 12.8730 13.6584 13.6584 14.7688 14.7688 15.0152 15.0152 15.1916 15.1916 k = 0.4525 0.3827 0.0913 ( 3238 PWs) bands (ev): -22.9537 -22.9537 -5.8403 -5.8403 -4.7717 -4.7717 -4.6572 -4.6572 1.2057 1.2057 2.1254 2.1254 4.8170 4.8170 4.9642 4.9642 5.1066 5.1066 5.6785 5.6785 5.7460 5.7460 6.7679 6.7679 6.9425 6.9425 7.0415 7.0415 7.4074 7.4074 8.1961 8.1961 9.1852 9.1852 10.1002 10.1002 11.8967 11.8967 12.8898 12.8898 13.6197 13.6197 14.7760 14.7760 14.9789 14.9789 15.1957 15.1957 k = 0.4457 0.3938 0.1043 ( 3238 PWs) bands (ev): -22.9536 -22.9536 -5.8407 -5.8407 -4.7717 -4.7717 -4.6588 -4.6588 1.2255 1.2255 2.1351 2.1351 4.8193 4.8193 4.9741 4.9741 5.1066 5.1066 5.6872 5.6872 5.7540 5.7540 6.7623 6.7623 6.9425 6.9425 7.0425 7.0425 7.3835 7.3835 8.1448 8.1448 9.0529 9.0529 10.1526 10.1526 11.9871 11.9871 12.9082 12.9082 13.5726 13.5726 14.7697 14.7697 14.9524 14.9524 15.2053 15.2053 k = 0.4389 0.4049 0.1173 ( 3242 PWs) bands (ev): -22.9535 -22.9535 -5.8412 -5.8412 -4.7716 -4.7716 -4.6606 -4.6606 1.2478 1.2478 2.1458 2.1458 4.8221 4.8221 4.9851 4.9851 5.1068 5.1068 5.6962 5.6962 5.7633 5.7633 6.7561 6.7561 6.9419 6.9419 7.0437 7.0437 7.3565 7.3565 8.0916 8.0916 8.9152 8.9152 10.2116 10.2116 12.0722 12.0722 12.9276 12.9276 13.5168 13.5168 14.7512 14.7512 14.9324 14.9324 15.2170 15.2170 k = 0.4321 0.4161 0.1304 ( 3234 PWs) bands (ev): -22.9533 -22.9533 -5.8417 -5.8417 -4.7717 -4.7717 -4.6624 -4.6624 1.2726 1.2726 2.1574 2.1574 4.8254 4.8254 4.9972 4.9972 5.1073 5.1073 5.7053 5.7053 5.7740 5.7740 6.7494 6.7494 6.9406 6.9406 7.0448 7.0448 7.3263 7.3263 8.0373 8.0373 8.7751 8.7751 10.2751 10.2751 12.1503 12.1503 12.9473 12.9473 13.4522 13.4522 14.7272 14.7272 14.9107 14.9107 15.2018 15.2018 k = 0.4254 0.4272 0.1434 ( 3242 PWs) bands (ev): -22.9532 -22.9532 -5.8423 -5.8423 -4.7718 -4.7718 -4.6643 -4.6643 1.2999 1.2999 2.1699 2.1699 4.8294 4.8294 5.0101 5.0101 5.1080 5.1080 5.7142 5.7142 5.7860 5.7860 6.7422 6.7422 6.9381 6.9381 7.0457 7.0457 7.2931 7.2931 7.9827 7.9827 8.6348 8.6348 10.3418 10.3418 12.2205 12.2205 12.9666 12.9666 13.3791 13.3791 14.7035 14.7035 14.8819 14.8819 15.1425 15.1425 k = 0.4186 0.4383 0.1565 ( 3244 PWs) bands (ev): -22.9531 -22.9531 -5.8429 -5.8429 -4.7719 -4.7719 -4.6663 -4.6663 1.3297 1.3297 2.1830 2.1830 4.8340 4.8340 5.0240 5.0240 5.1091 5.1091 5.7228 5.7228 5.7996 5.7996 6.7348 6.7348 6.9342 6.9342 7.0458 7.0458 7.2573 7.2573 7.9283 7.9283 8.4961 8.4961 10.4106 10.4106 12.2816 12.2816 12.9850 12.9850 13.2983 13.2983 14.6834 14.6834 14.8449 14.8449 15.0793 15.0793 k = 0.4118 0.4495 0.1695 ( 3244 PWs) bands (ev): -22.9529 -22.9529 -5.8435 -5.8435 -4.7722 -4.7722 -4.6683 -4.6683 1.3618 1.3618 2.1966 2.1966 4.8393 4.8393 5.0387 5.0387 5.1107 5.1107 5.7307 5.7307 5.8144 5.8144 6.7270 6.7270 6.9286 6.9286 7.0441 7.0441 7.2195 7.2195 7.8747 7.8747 8.3608 8.3608 10.4808 10.4808 12.3327 12.3327 13.0020 13.0020 13.2107 13.2107 14.6681 14.6681 14.8013 14.8013 15.0245 15.0245 k = 0.4050 0.4606 0.1825 ( 3240 PWs) bands (ev): -22.9528 -22.9528 -5.8442 -5.8442 -4.7726 -4.7726 -4.6702 -4.6702 1.3964 1.3964 2.2106 2.2106 4.8453 4.8453 5.0543 5.0543 5.1127 5.1127 5.7378 5.7378 5.8306 5.8306 6.7190 6.7190 6.9208 6.9208 7.0385 7.0385 7.1814 7.1814 7.8222 7.8222 8.2307 8.2307 10.5516 10.5516 12.3730 12.3730 13.0175 13.0175 13.1178 13.1178 14.6574 14.6574 14.7546 14.7546 14.9786 14.9786 k = 0.3982 0.4717 0.1956 ( 3242 PWs) bands (ev): -22.9526 -22.9526 -5.8450 -5.8450 -4.7730 -4.7730 -4.6721 -4.6721 1.4332 1.4332 2.2247 2.2247 4.8520 4.8520 5.0705 5.0705 5.1152 5.1152 5.7440 5.7440 5.8478 5.8478 6.7108 6.7108 6.9106 6.9106 7.0250 7.0250 7.1467 7.1467 7.7712 7.7712 8.1075 8.1075 10.6226 10.6226 12.4013 12.4013 13.0109 13.0109 13.0419 13.0419 14.6501 14.6501 14.7085 14.7085 14.9407 14.9407 k = 0.3914 0.4829 0.2086 ( 3230 PWs) bands (ev): -22.9524 -22.9524 -5.8457 -5.8457 -4.7736 -4.7736 -4.6739 -4.6739 1.4722 1.4722 2.2388 2.2388 4.8595 4.8595 5.0873 5.0873 5.1183 5.1183 5.7491 5.7491 5.8661 5.8661 6.7021 6.7021 6.8975 6.8975 6.9982 6.9982 7.1203 7.1203 7.7221 7.7221 7.9933 7.9933 10.6933 10.6933 12.4165 12.4165 12.9139 12.9139 13.0536 13.0536 14.6378 14.6378 14.6714 14.6714 14.9102 14.9102 k = 0.3846 0.4940 0.2217 ( 3226 PWs) bands (ev): -22.9522 -22.9522 -5.8465 -5.8465 -4.7743 -4.7743 -4.6756 -4.6756 1.5134 1.5134 2.2527 2.2527 4.8678 4.8678 5.1044 5.1044 5.1224 5.1224 5.7529 5.7529 5.8851 5.8851 6.6923 6.6923 6.8811 6.8811 6.9571 6.9571 7.1031 7.1031 7.6747 7.6747 7.8904 7.8904 10.7634 10.7634 12.4181 12.4181 12.8089 12.8089 13.0728 13.0728 14.6017 14.6017 14.6605 14.6605 14.8877 14.8877 k = 0.3779 0.5051 0.2347 ( 3230 PWs) bands (ev): -22.9521 -22.9521 -5.8473 -5.8473 -4.7751 -4.7751 -4.6771 -4.6771 1.5567 1.5567 2.2661 2.2661 4.8769 4.8769 5.1195 5.1195 5.1296 5.1296 5.7552 5.7552 5.9047 5.9047 6.6800 6.6800 6.8607 6.8607 6.9074 6.9074 7.0906 7.0906 7.6283 7.6283 7.8016 7.8016 10.8325 10.8325 12.4060 12.4060 12.7012 12.7012 13.0959 13.0959 14.5549 14.5549 14.6590 14.6590 14.8741 14.8741 k = 0.3711 0.5163 0.2477 ( 3222 PWs) bands (ev): -22.9519 -22.9519 -5.8482 -5.8482 -4.7760 -4.7760 -4.6785 -4.6785 1.6020 1.6020 2.2788 2.2788 4.8868 4.8868 5.1277 5.1277 5.1449 5.1449 5.7557 5.7557 5.9248 5.9248 6.6618 6.6618 6.8346 6.8346 6.8576 6.8576 7.0789 7.0789 7.5813 7.5813 7.7303 7.7303 10.9004 10.9004 12.3808 12.3808 12.5918 12.5918 13.1234 13.1234 14.5044 14.5044 14.6555 14.6555 14.8706 14.8706 k = 0.3643 0.5274 0.2608 ( 3222 PWs) bands (ev): -22.9517 -22.9517 -5.8490 -5.8490 -4.7771 -4.7771 -4.6797 -4.6797 1.6491 1.6491 2.2905 2.2905 4.8976 4.8976 5.1334 5.1334 5.1634 5.1634 5.7541 5.7541 5.9452 5.9452 6.6318 6.6318 6.8008 6.8008 6.8185 6.8185 7.0657 7.0657 7.5315 7.5315 7.6792 7.6792 10.9668 10.9668 12.3441 12.3441 12.4813 12.4813 13.1554 13.1554 14.4503 14.4503 14.6452 14.6452 14.8784 14.8784 k = 0.3575 0.5385 0.2738 ( 3223 PWs) bands (ev): -22.9515 -22.9515 -5.8498 -5.8498 -4.7782 -4.7782 -4.6808 -4.6808 1.6980 1.6980 2.3010 2.3010 4.9092 4.9092 5.1392 5.1392 5.1828 5.1828 5.7501 5.7501 5.9655 5.9655 6.5844 6.5844 6.7721 6.7721 6.7853 6.7853 7.0503 7.0503 7.4792 7.4792 7.6478 7.6478 11.0317 11.0317 12.2975 12.2975 12.3704 12.3704 13.1912 13.1912 14.3926 14.3926 14.6256 14.6256 14.8973 14.8973 k = 0.3507 0.5497 0.2868 ( 3227 PWs) bands (ev): -22.9514 -22.9514 -5.8507 -5.8507 -4.7795 -4.7795 -4.6817 -4.6817 1.7486 1.7486 2.3098 2.3098 4.9218 4.9218 5.1454 5.1454 5.2025 5.2025 5.7432 5.7432 5.9854 5.9854 6.5220 6.5220 6.7504 6.7504 6.7565 6.7565 7.0329 7.0329 7.4268 7.4268 7.6324 7.6324 11.0948 11.0948 12.2406 12.2406 12.2619 12.2619 13.2304 13.2304 14.3312 14.3312 14.5973 14.5973 14.9261 14.9261 k = 0.3439 0.5608 0.2999 ( 3213 PWs) bands (ev): -22.9512 -22.9512 -5.8515 -5.8515 -4.7808 -4.7808 -4.6824 -4.6824 1.8006 1.8006 2.3168 2.3168 4.9353 4.9353 5.1519 5.1519 5.2223 5.2223 5.7329 5.7329 6.0043 6.0043 6.4523 6.4523 6.7143 6.7143 6.7494 6.7494 7.0137 7.0137 7.3760 7.3760 7.6293 7.6293 11.1562 11.1562 12.1438 12.1438 12.1876 12.1876 13.2721 13.2721 14.2662 14.2662 14.5628 14.5628 14.9628 14.9628 k = 0.3371 0.5719 0.3129 ( 3215 PWs) bands (ev): -22.9511 -22.9511 -5.8523 -5.8523 -4.7821 -4.7821 -4.6830 -4.6830 1.8539 1.8539 2.3216 2.3216 4.9497 4.9497 5.1588 5.1588 5.2420 5.2420 5.7184 5.7184 6.0215 6.0215 6.3823 6.3823 6.6768 6.6768 6.7479 6.7479 6.9933 6.9933 7.3276 7.3276 7.6359 7.6359 11.2156 11.2156 12.0329 12.0329 12.1235 12.1235 13.3156 13.3156 14.1979 14.1979 14.5250 14.5250 15.0052 15.0052 k = 0.3304 0.5831 0.3260 ( 3217 PWs) bands (ev): -22.9509 -22.9509 -5.8530 -5.8530 -4.7834 -4.7834 -4.6834 -4.6834 1.9084 1.9084 2.3239 2.3239 4.9651 4.9651 5.1660 5.1660 5.2613 5.2613 5.6987 5.6987 6.0357 6.0357 6.3173 6.3173 6.6394 6.6394 6.7499 6.7499 6.9720 6.9720 7.2815 7.2815 7.6501 7.6501 11.2730 11.2730 11.9218 11.9218 12.0576 12.0576 13.3599 13.3599 14.1270 14.1270 14.4863 14.4863 15.0514 15.0514 k = 0.3236 0.5942 0.3390 ( 3213 PWs) bands (ev): -22.9508 -22.9508 -5.8537 -5.8537 -4.7847 -4.7847 -4.6837 -4.6837 1.9638 1.9638 2.3234 2.3234 4.9814 4.9814 5.1733 5.1733 5.2801 5.2801 5.6730 5.6730 6.0449 6.0449 6.2622 6.2622 6.6034 6.6034 6.7543 6.7543 6.9502 6.9502 7.2377 7.2377 7.6705 7.6705 11.3284 11.3284 11.8112 11.8112 11.9906 11.9906 13.4038 13.4038 14.0546 14.0546 14.4484 14.4484 15.1001 15.1001 k = 0.3168 0.6053 0.3520 ( 3213 PWs) bands (ev): -22.9506 -22.9506 -5.8544 -5.8544 -4.7860 -4.7860 -4.6839 -4.6839 2.0199 2.0199 2.3197 2.3197 4.9987 4.9987 5.1806 5.1806 5.2980 5.2980 5.6405 5.6405 6.0469 6.0469 6.2211 6.2211 6.5703 6.5703 6.7604 6.7604 6.9279 6.9279 7.1961 7.1961 7.6962 7.6962 11.3814 11.3814 11.7016 11.7016 11.9233 11.9233 13.4451 13.4451 13.9828 13.9828 14.4125 14.4125 15.1503 15.1503 k = 0.3100 0.6165 0.3651 ( 3213 PWs) bands (ev): -22.9505 -22.9505 -5.8550 -5.8550 -4.7872 -4.7872 -4.6840 -4.6840 2.0764 2.0764 2.3127 2.3127 5.0169 5.0169 5.1877 5.1877 5.3150 5.3150 5.6012 5.6012 6.0413 6.0413 6.1950 6.1950 6.5420 6.5420 6.7676 6.7676 6.9057 6.9057 7.1566 7.1566 7.7261 7.7261 11.4309 11.4309 11.5943 11.5943 11.8567 11.8567 13.4800 13.4800 13.9154 13.9154 14.3790 14.3790 15.2022 15.2022 k = 0.3032 0.6276 0.3781 ( 3213 PWs) bands (ev): -22.9504 -22.9504 -5.8556 -5.8556 -4.7883 -4.7883 -4.6840 -4.6840 2.1330 2.1330 2.3022 2.3022 5.0360 5.0360 5.1941 5.1941 5.3306 5.3306 5.5563 5.5563 6.0309 6.0309 6.1800 6.1800 6.5201 6.5201 6.7751 6.7751 6.8839 6.8839 7.1194 7.1194 7.7598 7.7598 11.4547 11.4547 11.5116 11.5116 11.7915 11.7915 13.5010 13.5010 13.8601 13.8601 14.3484 14.3484 15.2563 15.2563 k = 0.2964 0.6387 0.3911 ( 3217 PWs) bands (ev): -22.9503 -22.9503 -5.8561 -5.8561 -4.7892 -4.7892 -4.6840 -4.6840 2.1891 2.1891 2.2882 2.2882 5.0558 5.0558 5.1995 5.1995 5.3447 5.3447 5.5080 5.5080 6.0202 6.0202 6.1701 6.1701 6.5062 6.5062 6.7819 6.7819 6.8637 6.8637 7.0846 7.0846 7.7967 7.7967 11.3673 11.3673 11.5382 11.5382 11.7292 11.7292 13.4963 13.4963 13.8288 13.8288 14.3208 14.3208 15.3132 15.3132 k = 0.2964 0.6387 0.3911 ( 3217 PWs) bands (ev): -22.9503 -22.9503 -5.8561 -5.8561 -4.7892 -4.7892 -4.6840 -4.6840 2.1891 2.1891 2.2882 2.2882 5.0558 5.0558 5.1995 5.1995 5.3447 5.3447 5.5080 5.5080 6.0202 6.0202 6.1701 6.1701 6.5062 6.5062 6.7819 6.7819 6.8637 6.8637 7.0846 7.0846 7.7967 7.7967 11.3673 11.3673 11.5382 11.5382 11.7292 11.7292 13.4963 13.4963 13.8288 13.8288 14.3208 14.3208 15.3132 15.3132 k = 0.2790 0.6343 0.3964 ( 3211 PWs) bands (ev): -22.9503 -22.9503 -5.8562 -5.8562 -4.7896 -4.7896 -4.6839 -4.6839 2.2058 2.2058 2.2871 2.2871 5.0637 5.0637 5.2013 5.2013 5.3497 5.3497 5.4885 5.4885 6.0155 6.0155 6.1679 6.1679 6.5031 6.5031 6.7838 6.7838 6.8567 6.8567 7.0712 7.0712 7.8141 7.8141 11.2889 11.2889 11.5565 11.5565 11.7419 11.7419 13.4853 13.4853 13.8256 13.8256 14.3110 14.3110 15.2321 15.2321 k = 0.2616 0.6298 0.4016 ( 3212 PWs) bands (ev): -22.9503 -22.9503 -5.8564 -5.8564 -4.7899 -4.7899 -4.6839 -4.6839 2.2099 2.2099 2.2976 2.2976 5.0709 5.0709 5.2033 5.2033 5.3539 5.3539 5.4698 5.4698 6.0097 6.0097 6.1682 6.1682 6.5016 6.5016 6.7844 6.7844 6.8508 6.8508 7.0579 7.0579 7.8356 7.8356 11.1670 11.1670 11.5764 11.5764 11.7999 11.7999 13.4695 13.4695 13.8287 13.8287 14.3027 14.3027 15.1156 15.1156 k = 0.2441 0.6253 0.4069 ( 3210 PWs) bands (ev): -22.9502 -22.9502 -5.8565 -5.8565 -4.7901 -4.7901 -4.6838 -4.6838 2.2050 2.2050 2.3160 2.3160 5.0773 5.0773 5.2052 5.2052 5.3573 5.3573 5.4526 5.4526 6.0031 6.0031 6.1705 6.1705 6.5018 6.5018 6.7835 6.7835 6.8461 6.8461 7.0450 7.0450 7.8612 7.8612 11.0311 11.0311 11.5961 11.5961 11.8762 11.8762 13.4502 13.4502 13.8372 13.8372 14.2962 14.2962 14.9970 14.9970 k = 0.2267 0.6208 0.4121 ( 3214 PWs) bands (ev): -22.9502 -22.9502 -5.8566 -5.8566 -4.7904 -4.7904 -4.6836 -4.6836 2.1963 2.1963 2.3371 2.3371 5.0828 5.0828 5.2069 5.2069 5.3597 5.3597 5.4375 5.4375 5.9960 5.9960 6.1742 6.1742 6.5033 6.5033 6.7812 6.7812 6.8426 6.8426 7.0323 7.0323 7.8908 7.8908 10.8919 10.8919 11.6148 11.6148 11.9606 11.9606 13.4285 13.4285 13.8498 13.8498 14.2915 14.2915 14.8790 14.8790 k = 0.2092 0.6163 0.4174 ( 3215 PWs) bands (ev): -22.9502 -22.9502 -5.8567 -5.8567 -4.7906 -4.7906 -4.6835 -4.6835 2.1866 2.1866 2.3582 2.3582 5.0872 5.0872 5.2085 5.2085 5.3610 5.3610 5.4249 5.4249 5.9886 5.9886 6.1790 6.1790 6.5063 6.5063 6.7773 6.7773 6.8401 6.8401 7.0200 7.0200 7.9244 7.9244 10.7533 10.7533 11.6326 11.6326 12.0494 12.0494 13.4060 13.4060 13.8651 13.8651 14.2888 14.2888 14.7628 14.7628 k = 0.1918 0.6119 0.4226 ( 3212 PWs) bands (ev): -22.9502 -22.9502 -5.8568 -5.8568 -4.7907 -4.7907 -4.6834 -4.6834 2.1767 2.1767 2.3783 2.3783 5.0904 5.0904 5.2099 5.2099 5.3612 5.3612 5.4152 5.4152 5.9812 5.9812 6.1843 6.1843 6.5105 6.5105 6.7721 6.7721 6.8383 6.8383 7.0083 7.0083 7.9617 7.9617 10.6174 10.6174 11.6494 11.6494 12.1408 12.1408 13.3836 13.3836 13.8816 13.8816 14.2877 14.2877 14.6495 14.6495 k = 0.1744 0.6074 0.4279 ( 3212 PWs) bands (ev): -22.9501 -22.9501 -5.8568 -5.8568 -4.7909 -4.7909 -4.6832 -4.6832 2.1674 2.1674 2.3969 2.3969 5.0924 5.0924 5.2111 5.2111 5.3606 5.3606 5.4082 5.4082 5.9740 5.9740 6.1900 6.1900 6.5159 6.5159 6.7658 6.7658 6.8371 6.8371 6.9970 6.9970 8.0024 8.0024 10.4855 10.4855 11.6650 11.6650 12.2338 12.2338 13.3622 13.3622 13.8980 13.8980 14.2867 14.2867 14.5411 14.5411 k = 0.1569 0.6029 0.4331 ( 3212 PWs) bands (ev): -22.9501 -22.9501 -5.8569 -5.8569 -4.7910 -4.7910 -4.6830 -4.6830 2.1586 2.1586 2.4138 2.4138 5.0930 5.0930 5.2122 5.2122 5.3594 5.3594 5.4036 5.4036 5.9671 5.9671 6.1956 6.1956 6.5223 6.5223 6.7586 6.7586 6.8361 6.8361 6.9864 6.9864 8.0460 8.0460 10.3585 10.3585 11.6794 11.6794 12.3277 12.3277 13.3424 13.3424 13.9132 13.9132 14.2797 14.2797 14.4441 14.4441 k = 0.1395 0.5984 0.4384 ( 3216 PWs) bands (ev): -22.9501 -22.9501 -5.8569 -5.8569 -4.7912 -4.7912 -4.6829 -4.6829 2.1506 2.1506 2.4290 2.4290 5.0925 5.0925 5.2133 5.2133 5.3583 5.3583 5.4007 5.4007 5.9606 5.9606 6.2011 6.2011 6.5296 6.5296 6.7508 6.7508 6.8354 6.8354 6.9766 6.9766 8.0918 8.0918 10.2375 10.2375 11.6924 11.6924 12.4217 12.4217 13.3248 13.3248 13.9262 13.9262 14.2446 14.2446 14.3809 14.3809 k = 0.1221 0.5939 0.4436 ( 3210 PWs) bands (ev): -22.9501 -22.9501 -5.8569 -5.8569 -4.7913 -4.7913 -4.6827 -4.6827 2.1435 2.1435 2.4423 2.4423 5.0910 5.0910 5.2145 5.2145 5.3577 5.3577 5.3987 5.3987 5.9546 5.9546 6.2063 6.2063 6.5377 6.5377 6.7424 6.7424 6.8348 6.8348 6.9676 6.9676 8.1390 8.1390 10.1236 10.1236 11.7040 11.7040 12.5151 12.5151 13.3096 13.3096 13.9360 13.9360 14.1680 14.1680 14.3655 14.3655 k = 0.1046 0.5894 0.4489 ( 3212 PWs) bands (ev): -22.9501 -22.9501 -5.8569 -5.8569 -4.7913 -4.7913 -4.6826 -4.6826 2.1373 2.1373 2.4539 2.4539 5.0889 5.0889 5.2158 5.2158 5.3576 5.3576 5.3974 5.3974 5.9492 5.9492 6.2110 6.2110 6.5462 6.5462 6.7336 6.7336 6.8344 6.8344 6.9596 6.9596 8.1865 8.1865 10.0181 10.0181 11.7142 11.7142 12.6070 12.6070 13.2973 13.2973 13.9398 13.9398 14.0790 14.0790 14.3710 14.3710 k = 0.0872 0.5850 0.4541 ( 3218 PWs) bands (ev): -22.9501 -22.9501 -5.8570 -5.8570 -4.7914 -4.7914 -4.6824 -4.6824 2.1320 2.1320 2.4636 2.4636 5.0863 5.0863 5.2170 5.2170 5.3580 5.3580 5.3963 5.3963 5.9445 5.9445 6.2151 6.2151 6.5550 6.5550 6.7248 6.7248 6.8340 6.8340 6.9527 6.9527 8.2326 8.2326 9.9226 9.9226 11.7228 11.7228 12.6960 12.6960 13.2883 13.2883 13.9230 13.9230 14.0069 14.0069 14.3828 14.3828 k = 0.0697 0.5805 0.4594 ( 3217 PWs) bands (ev): -22.9501 -22.9501 -5.8570 -5.8570 -4.7915 -4.7915 -4.6823 -4.6823 2.1276 2.1276 2.4715 2.4715 5.0838 5.0838 5.2182 5.2182 5.3587 5.3587 5.3955 5.3955 5.9405 5.9405 6.2186 6.2186 6.5636 6.5636 6.7162 6.7162 6.8337 6.8337 6.9468 6.9468 8.2756 8.2756 9.8392 9.8392 11.7299 11.7299 12.7797 12.7797 13.2830 13.2830 13.8590 13.8590 13.9837 13.9837 14.3960 14.3960 k = 0.0523 0.5760 0.4646 ( 3217 PWs) bands (ev): -22.9501 -22.9501 -5.8570 -5.8570 -4.7915 -4.7915 -4.6822 -4.6822 2.1242 2.1242 2.4777 2.4777 5.0815 5.0815 5.2193 5.2193 5.3596 5.3596 5.3947 5.3947 5.9374 5.9374 6.2214 6.2214 6.5715 6.5715 6.7083 6.7083 6.8336 6.8336 6.9422 6.9422 8.3131 8.3131 9.7701 9.7701 11.7355 11.7355 12.8549 12.8549 13.2822 13.2822 13.7799 13.7799 13.9810 13.9810 14.4083 14.4083 k = 0.0349 0.5715 0.4699 ( 3215 PWs) bands (ev): -22.9501 -22.9501 -5.8570 -5.8570 -4.7915 -4.7915 -4.6821 -4.6821 2.1218 2.1218 2.4820 2.4820 5.0797 5.0797 5.2201 5.2201 5.3604 5.3604 5.3941 5.3941 5.9351 5.9351 6.2234 6.2234 6.5781 6.5781 6.7018 6.7018 6.8335 6.8335 6.9388 6.9388 8.3427 8.3427 9.7181 9.7181 11.7394 11.7394 12.9162 12.9162 13.2859 13.2859 13.7089 13.7089 13.9814 13.9814 14.4183 14.4183 k = 0.0174 0.5670 0.4751 ( 3225 PWs) bands (ev): -22.9501 -22.9501 -5.8570 -5.8570 -4.7916 -4.7916 -4.6821 -4.6821 2.1203 2.1203 2.4846 2.4846 5.0785 5.0785 5.2206 5.2206 5.3610 5.3610 5.3938 5.3938 5.9337 5.9337 6.2246 6.2246 6.5825 6.5825 6.6974 6.6974 6.8334 6.8334 6.9368 6.9368 8.3617 8.3617 9.6855 9.6855 11.7418 11.7418 12.9570 12.9570 13.2924 13.2924 13.6576 13.6576 13.9819 13.9819 14.4247 14.4247 k = 0.0000 0.5626 0.4804 ( 3224 PWs) bands (ev): -22.9501 -22.9501 -5.8570 -5.8570 -4.7916 -4.7916 -4.6821 -4.6821 2.1198 2.1198 2.4855 2.4855 5.0781 5.0781 5.2208 5.2208 5.3612 5.3612 5.3936 5.3936 5.9333 5.9333 6.2250 6.2250 6.5841 6.5841 6.6958 6.6958 6.8334 6.8334 6.9361 6.9361 8.3683 8.3683 9.6744 9.6744 11.7426 11.7426 12.9714 12.9714 13.2959 13.2959 13.6383 13.6383 13.9822 13.9822 14.4269 14.4269 k = 0.0000 0.5626 0.4804 ( 3224 PWs) bands (ev): -22.9501 -22.9501 -5.8570 -5.8570 -4.7916 -4.7916 -4.6821 -4.6821 2.1198 2.1198 2.4855 2.4855 5.0781 5.0781 5.2208 5.2208 5.3612 5.3612 5.3936 5.3936 5.9333 5.9333 6.2250 6.2250 6.5841 6.5841 6.6958 6.6958 6.8334 6.8334 6.9361 6.9361 8.3683 8.3683 9.6744 9.6744 11.7426 11.7426 12.9714 12.9714 13.2959 13.2959 13.6383 13.6383 13.9822 13.9822 14.4269 14.4269 k = 0.0069 0.5512 0.4937 ( 3222 PWs) bands (ev): -22.9501 -22.9501 -5.8570 -5.8570 -4.7915 -4.7915 -4.6822 -4.6822 2.1205 2.1205 2.4868 2.4868 5.0741 5.0741 5.2175 5.2175 5.3587 5.3587 5.3989 5.3989 5.9343 5.9343 6.2254 6.2254 6.5847 6.5847 6.6987 6.6987 6.8342 6.8342 6.9373 6.9373 8.3677 8.3677 9.6751 9.6751 11.7349 11.7349 12.9598 12.9598 13.2517 13.2517 13.6398 13.6398 14.0262 14.0262 14.4373 14.4373 k = 0.0139 0.5398 0.5071 ( 3220 PWs) bands (ev): -22.9500 -22.9500 -5.8571 -5.8571 -4.7913 -4.7913 -4.6827 -4.6827 2.1226 2.1226 2.4906 2.4906 5.0626 5.0626 5.2073 5.2073 5.3552 5.3552 5.4106 5.4106 5.9372 5.9372 6.2264 6.2264 6.5869 6.5869 6.7070 6.7070 6.8368 6.8368 6.9408 6.9408 8.3663 8.3663 9.6772 9.6772 11.7123 11.7123 12.9222 12.9222 13.1481 13.1481 13.6433 13.6433 14.1300 14.1300 14.4718 14.4718 k = 0.0208 0.5284 0.5204 ( 3220 PWs) bands (ev): -22.9500 -22.9500 -5.8572 -5.8572 -4.7910 -4.7910 -4.6835 -4.6835 2.1260 2.1260 2.4969 2.4969 5.0447 5.0447 5.1900 5.1900 5.3544 5.3544 5.4245 5.4245 5.9420 5.9420 6.2278 6.2278 6.5915 6.5915 6.7200 6.7200 6.8411 6.8411 6.9467 6.9467 8.3638 8.3638 9.6806 9.6806 11.6756 11.6756 12.8486 12.8486 13.0321 13.0321 13.6482 13.6482 14.2483 14.2483 14.5402 14.5402 k = 0.0278 0.5170 0.5337 ( 3220 PWs) bands (ev): -22.9499 -22.9499 -5.8574 -5.8574 -4.7906 -4.7906 -4.6846 -4.6846 2.1308 2.1308 2.5057 2.5057 5.0219 5.0219 5.1664 5.1664 5.3561 5.3561 5.4391 5.4391 5.9485 5.9485 6.2292 6.2292 6.5991 6.5991 6.7366 6.7366 6.8471 6.8471 6.9549 6.9549 8.3605 8.3605 9.6854 9.6854 11.6262 11.6262 12.7299 12.7299 12.9328 12.9328 13.6545 13.6545 14.3520 14.3520 14.6535 14.6535 k = 0.0347 0.5056 0.5471 ( 3220 PWs) bands (ev): -22.9499 -22.9499 -5.8576 -5.8576 -4.7901 -4.7901 -4.6861 -4.6861 2.1369 2.1369 2.5170 2.5170 4.9953 4.9953 5.1376 5.1376 5.3592 5.3592 5.4538 5.4538 5.9566 5.9566 6.2304 6.2304 6.6104 6.6104 6.7561 6.7561 6.8549 6.8549 6.9653 6.9653 8.3564 8.3564 9.6914 9.6914 11.5656 11.5656 12.5805 12.5805 12.8457 12.8457 13.6622 13.6622 14.4384 14.4384 14.8054 14.8054 k = 0.0417 0.4942 0.5604 ( 3220 PWs) bands (ev): -22.9498 -22.9498 -5.8578 -5.8578 -4.7894 -4.7894 -4.6878 -4.6878 2.1443 2.1443 2.5308 2.5308 4.9658 4.9658 5.1049 5.1049 5.3626 5.3626 5.4685 5.4685 5.9658 5.9658 6.2312 6.2312 6.6254 6.6254 6.7776 6.7776 6.8646 6.8646 6.9779 6.9779 8.3516 8.3516 9.6986 9.6986 11.4954 11.4954 12.4188 12.4188 12.7581 12.7581 13.6713 13.6713 14.5193 14.5193 14.9794 14.9794 k = 0.0486 0.4828 0.5738 ( 3214 PWs) bands (ev): -22.9497 -22.9497 -5.8581 -5.8581 -4.7887 -4.7887 -4.6897 -4.6897 2.1529 2.1529 2.5469 2.5469 4.9342 4.9342 5.0693 5.0693 5.3655 5.3655 5.4832 5.4832 5.9760 5.9760 6.2316 6.2316 6.6439 6.6439 6.8005 6.8005 6.8762 6.8762 6.9925 6.9925 8.3463 8.3463 9.7069 9.7069 11.4174 11.4174 12.2534 12.2534 12.6658 12.6658 13.6815 13.6815 14.6021 14.6021 15.1644 15.1644 k = 0.0556 0.4714 0.5871 ( 3218 PWs) bands (ev): -22.9496 -22.9496 -5.8585 -5.8585 -4.7878 -4.7878 -4.6919 -4.6919 2.1628 2.1628 2.5654 2.5654 4.9008 4.9008 5.0314 5.0314 5.3678 5.3678 5.4978 5.4978 5.9867 5.9867 6.2316 6.2316 6.6656 6.6656 6.8243 6.8243 6.8899 6.8899 7.0092 7.0092 8.3407 8.3407 9.7163 9.7163 11.3328 11.3328 12.0880 12.0880 12.5683 12.5683 13.6927 13.6927 14.6895 14.6895 15.3547 15.3547 k = 0.0625 0.4600 0.6005 ( 3212 PWs) bands (ev): -22.9495 -22.9495 -5.8589 -5.8589 -4.7869 -4.7869 -4.6944 -4.6944 2.1739 2.1739 2.5861 2.5861 4.8661 4.8661 4.9919 4.9919 5.3695 5.3695 5.5122 5.5122 5.9977 5.9977 6.2315 6.2315 6.6897 6.6897 6.8485 6.8485 6.9058 6.9058 7.0276 7.0276 8.3350 8.3350 9.7265 9.7265 11.2429 11.2429 11.9245 11.9245 12.4663 12.4663 13.7048 13.7048 14.7816 14.7816 15.5473 15.5473 k = 0.0694 0.4486 0.6138 ( 3214 PWs) bands (ev): -22.9493 -22.9493 -5.8593 -5.8593 -4.7859 -4.7859 -4.6971 -4.6971 2.1861 2.1861 2.6090 2.6090 4.8304 4.8304 4.9512 4.9512 5.3708 5.3708 5.5264 5.5264 6.0086 6.0086 6.2314 6.2314 6.7157 6.7157 6.8725 6.8725 6.9241 6.9241 7.0477 7.0477 8.3293 8.3293 9.7373 9.7373 11.1490 11.1490 11.7642 11.7642 12.3610 12.3610 13.7175 13.7175 14.8780 14.8780 15.7401 15.7401 k = 0.0764 0.4372 0.6271 ( 3216 PWs) bands (ev): -22.9492 -22.9492 -5.8597 -5.8597 -4.7848 -4.7848 -4.6999 -4.6999 2.1993 2.1993 2.6340 2.6340 4.7938 4.7938 4.9097 4.9097 5.3720 5.3720 5.5404 5.5404 6.0192 6.0192 6.2316 6.2316 6.7426 6.7426 6.8961 6.8961 6.9448 6.9448 7.0692 7.0692 8.3240 8.3240 9.7485 9.7485 11.0520 11.0520 11.6079 11.6079 12.2534 12.2534 13.7304 13.7304 14.9776 14.9776 15.9312 15.9312 k = 0.0833 0.4258 0.6405 ( 3216 PWs) bands (ev): -22.9490 -22.9490 -5.8603 -5.8603 -4.7836 -4.7836 -4.7030 -4.7030 2.2135 2.2135 2.6610 2.6610 4.7567 4.7567 4.8676 4.8676 5.3733 5.3733 5.5541 5.5541 6.0291 6.0291 6.2321 6.2321 6.7699 6.7699 6.9190 6.9190 6.9679 6.9679 7.0921 7.0921 8.3193 8.3193 9.7597 9.7597 10.9529 10.9529 11.4562 11.4562 12.1446 12.1446 13.7434 13.7434 15.0797 15.0797 16.1183 16.1183 k = 0.0903 0.4144 0.6538 ( 3216 PWs) bands (ev): -22.9489 -22.9489 -5.8608 -5.8608 -4.7824 -4.7824 -4.7061 -4.7061 2.2287 2.2287 2.6899 2.6899 4.7191 4.7191 4.8253 4.8253 5.3750 5.3750 5.5676 5.5676 6.0384 6.0384 6.2329 6.2329 6.7969 6.7969 6.9415 6.9415 6.9928 6.9928 7.1159 7.1159 8.3156 8.3156 9.7704 9.7704 10.8528 10.8528 11.3099 11.3099 12.0352 12.0352 13.7561 13.7561 15.1833 15.1833 16.2975 16.2975 k = 0.0972 0.4030 0.6672 ( 3216 PWs) bands (ev): -22.9487 -22.9487 -5.8614 -5.8614 -4.7811 -4.7811 -4.7094 -4.7094 2.2447 2.2447 2.7206 2.7206 4.6812 4.6812 4.7830 4.7830 5.3775 5.3775 5.5808 5.5808 6.0467 6.0467 6.2340 6.2340 6.8231 6.8231 6.9637 6.9637 7.0191 7.0191 7.1405 7.1405 8.3130 8.3130 9.7800 9.7800 10.7526 10.7526 11.1693 11.1693 11.9261 11.9261 13.7680 13.7680 15.2874 15.2874 16.4607 16.4607 k = 0.1042 0.3916 0.6805 ( 3216 PWs) bands (ev): -22.9485 -22.9485 -5.8620 -5.8620 -4.7798 -4.7798 -4.7127 -4.7127 2.2615 2.2615 2.7530 2.7530 4.6432 4.6432 4.7408 4.7408 5.3808 5.3808 5.5940 5.5940 6.0541 6.0541 6.2354 6.2354 6.8481 6.8481 6.9855 6.9855 7.0462 7.0462 7.1656 7.1656 8.3120 8.3120 9.7876 9.7876 10.6537 10.6537 11.0351 11.0351 11.8180 11.8180 13.7789 13.7789 15.3913 15.3913 16.5781 16.5781 k = 0.1111 0.3803 0.6939 ( 3210 PWs) bands (ev): -22.9483 -22.9483 -5.8626 -5.8626 -4.7784 -4.7784 -4.7162 -4.7162 2.2789 2.2789 2.7868 2.7868 4.6052 4.6052 4.6991 4.6991 5.3853 5.3853 5.6071 5.6071 6.0606 6.0606 6.2368 6.2368 6.8716 6.8716 7.0071 7.0071 7.0738 7.0738 7.1910 7.1910 8.3129 8.3129 9.7918 9.7918 10.5575 10.5575 10.9078 10.9078 11.7112 11.7112 13.7882 13.7882 15.4943 15.4943 16.5521 16.5521 k = 0.1181 0.3689 0.7072 ( 3216 PWs) bands (ev): -22.9482 -22.9482 -5.8632 -5.8632 -4.7771 -4.7771 -4.7196 -4.7196 2.2969 2.2969 2.8220 2.8220 4.5674 4.5674 4.6578 4.6578 5.3911 5.3911 5.6203 5.6203 6.0660 6.0660 6.2380 6.2380 6.8934 6.8934 7.0281 7.0281 7.1015 7.1015 7.2164 7.2164 8.3160 8.3160 9.7910 9.7910 10.4655 10.4655 10.7882 10.7882 11.6064 11.6064 13.7955 13.7955 15.5958 15.5958 16.4902 16.4902 k = 0.1250 0.3575 0.7206 ( 3216 PWs) bands (ev): -22.9480 -22.9480 -5.8639 -5.8639 -4.7757 -4.7757 -4.7230 -4.7230 2.3153 2.3153 2.8584 2.8584 4.5298 4.5298 4.6171 4.6171 5.3983 5.3983 5.6335 5.6335 6.0705 6.0705 6.2389 6.2389 6.9134 6.9134 7.0483 7.0483 7.1289 7.1289 7.2416 7.2416 8.3216 8.3216 9.7831 9.7831 10.3791 10.3791 10.6775 10.6775 11.5040 11.5040 13.8005 13.8005 15.6953 15.6953 16.4296 16.4296 k = 0.1319 0.3461 0.7339 ( 3214 PWs) bands (ev): -22.9478 -22.9478 -5.8646 -5.8646 -4.7743 -4.7743 -4.7264 -4.7264 2.3340 2.3340 2.8958 2.8958 4.4927 4.4927 4.5771 4.5771 5.4072 5.4072 5.6470 5.6470 6.0740 6.0740 6.2392 6.2392 6.9315 6.9315 7.0674 7.0674 7.1559 7.1559 7.2662 7.2662 8.3300 8.3300 9.7657 9.7657 10.2990 10.2990 10.5782 10.5782 11.4043 11.4043 13.8028 13.8028 15.7921 15.7921 16.3755 16.3755 k = 0.1389 0.3347 0.7472 ( 3220 PWs) bands (ev): -22.9476 -22.9476 -5.8653 -5.8653 -4.7730 -4.7730 -4.7298 -4.7298 2.3530 2.3530 2.9340 2.9340 4.4563 4.4563 4.5379 4.5379 5.4177 5.4177 5.6607 5.6607 6.0764 6.0764 6.2387 6.2387 6.9477 6.9477 7.0851 7.0851 7.1821 7.1821 7.2902 7.2902 8.3414 8.3414 9.7374 9.7374 10.2236 10.2236 10.4936 10.4936 11.3077 11.3077 13.8021 13.8021 15.8857 15.8857 16.3299 16.3299 k = 0.1458 0.3233 0.7606 ( 3216 PWs) bands (ev): -22.9474 -22.9474 -5.8659 -5.8659 -4.7717 -4.7717 -4.7331 -4.7331 2.3720 2.3720 2.9728 2.9728 4.4206 4.4206 4.4996 4.4996 5.4301 5.4301 5.6747 5.6747 6.0778 6.0778 6.2371 6.2371 6.9618 6.9618 7.1012 7.1012 7.2074 7.2074 7.3133 7.3133 8.3561 8.3561 9.6981 9.6981 10.1492 10.1492 10.4281 10.4281 11.2145 11.2145 13.7982 13.7982 15.9755 15.9755 16.2942 16.2942 k = 0.1528 0.3119 0.7739 ( 3214 PWs) bands (ev): -22.9473 -22.9473 -5.8666 -5.8666 -4.7704 -4.7704 -4.7362 -4.7362 2.3909 2.3909 3.0119 3.0119 4.3860 4.3860 4.4622 4.4622 5.4444 5.4444 5.6889 5.6889 6.0781 6.0781 6.2343 6.2343 6.9740 6.9740 7.1154 7.1154 7.2318 7.2318 7.3354 7.3354 8.3742 8.3742 9.6497 9.6497 10.0720 10.0720 10.3837 10.3837 11.1251 11.1251 13.7912 13.7912 16.0599 16.0599 16.2701 16.2701 k = 0.1597 0.3005 0.7873 ( 3214 PWs) bands (ev): -22.9471 -22.9471 -5.8673 -5.8673 -4.7692 -4.7692 -4.7392 -4.7392 2.4096 2.4096 3.0511 3.0511 4.3524 4.3524 4.4259 4.4259 5.4605 5.4605 5.7035 5.7035 6.0774 6.0774 6.2299 6.2299 6.9842 6.9842 7.1276 7.1276 7.2551 7.2551 7.3561 7.3561 8.3957 8.3957 9.5954 9.5954 9.9911 9.9911 10.3584 10.3584 11.0397 11.0397 13.7809 13.7809 16.1344 16.1344 16.2623 16.2623 k = 0.1667 0.2891 0.8006 ( 3218 PWs) bands (ev): -22.9469 -22.9469 -5.8679 -5.8679 -4.7681 -4.7681 -4.7421 -4.7421 2.4279 2.4279 3.0901 3.0901 4.3203 4.3203 4.3906 4.3906 5.4786 5.4786 5.7184 5.7184 6.0756 6.0756 6.2239 6.2239 6.9924 6.9924 7.1377 7.1377 7.2775 7.2775 7.3754 7.3754 8.4205 8.4205 9.5386 9.5386 9.9079 9.9079 10.3476 10.3476 10.9588 10.9588 13.7678 13.7678 16.1845 16.1845 16.2852 16.2852 k = 0.1736 0.2777 0.8140 ( 3212 PWs) bands (ev): -22.9468 -22.9468 -5.8685 -5.8685 -4.7671 -4.7671 -4.7447 -4.7447 2.4457 2.4457 3.1287 3.1287 4.2897 4.2897 4.3565 4.3565 5.4986 5.4986 5.7333 5.7333 6.0727 6.0727 6.2160 6.2160 6.9986 6.9986 7.1459 7.1459 7.2988 7.2988 7.3932 7.3932 8.4487 8.4487 9.4821 9.4821 9.8243 9.8243 10.3469 10.3469 10.8825 10.8825 13.7522 13.7522 16.2066 16.2066 16.3421 16.3421 k = 0.1806 0.2663 0.8273 ( 3212 PWs) bands (ev): -22.9466 -22.9466 -5.8691 -5.8691 -4.7662 -4.7662 -4.7471 -4.7471 2.4628 2.4628 3.1665 3.1665 4.2609 4.2609 4.3237 4.3237 5.5205 5.5205 5.7484 5.7484 6.0687 6.0687 6.2062 6.2062 7.0031 7.0031 7.1523 7.1523 7.3191 7.3191 7.4092 7.4092 8.4800 8.4800 9.4279 9.4279 9.7416 9.7416 10.3525 10.3525 10.8113 10.8113 13.7346 13.7346 16.2232 16.2232 16.4102 16.4102 k = 0.1875 0.2549 0.8406 ( 3210 PWs) bands (ev): -22.9465 -22.9465 -5.8697 -5.8697 -4.7655 -4.7655 -4.7492 -4.7492 2.4789 2.4789 3.2030 3.2030 4.2340 4.2340 4.2923 4.2923 5.5441 5.5441 5.7632 5.7632 6.0638 6.0638 6.1944 6.1944 7.0060 7.0060 7.1571 7.1571 7.3383 7.3383 7.4233 7.4233 8.5141 8.5141 9.3774 9.3774 9.6609 9.6609 10.3622 10.3622 10.7454 10.7454 13.7157 13.7157 16.2441 16.2441 16.4791 16.4791 k = 0.1944 0.2435 0.8540 ( 3210 PWs) bands (ev): -22.9464 -22.9464 -5.8702 -5.8702 -4.7649 -4.7649 -4.7511 -4.7511 2.4940 2.4940 3.2380 3.2380 4.2092 4.2092 4.2627 4.2627 5.5693 5.5693 5.7775 5.7775 6.0581 6.0581 6.1807 6.1807 7.0074 7.0074 7.1605 7.1605 7.3564 7.3564 7.4356 7.4356 8.5509 8.5509 9.3316 9.3316 9.5827 9.5827 10.3739 10.3739 10.6852 10.6852 13.6962 13.6962 16.2714 16.2714 16.5458 16.5458 k = 0.2014 0.2321 0.8673 ( 3208 PWs) bands (ev): -22.9463 -22.9463 -5.8707 -5.8707 -4.7646 -4.7646 -4.7525 -4.7525 2.5078 2.5078 3.2710 3.2710 4.1867 4.1867 4.2351 4.2351 5.5958 5.5958 5.7910 5.7910 6.0518 6.0518 6.1652 6.1652 7.0077 7.0077 7.1629 7.1629 7.3733 7.3733 7.4458 7.4458 8.5898 8.5898 9.2908 9.2908 9.5077 9.5077 10.3865 10.3865 10.6312 10.6312 13.6767 13.6767 16.3054 16.3054 16.6091 16.6091 k = 0.2083 0.2207 0.8807 ( 3218 PWs) bands (ev): -22.9462 -22.9462 -5.8711 -5.8711 -4.7645 -4.7645 -4.7536 -4.7536 2.5203 2.5203 3.3014 3.3014 4.1667 4.1667 4.2098 4.2098 5.6234 5.6234 5.8029 5.8029 6.0453 6.0453 6.1482 6.1482 7.0071 7.0071 7.1644 7.1644 7.3888 7.3888 7.4540 7.4540 8.6303 8.6303 9.2555 9.2555 9.4363 9.4363 10.3990 10.3990 10.5835 10.5835 13.6580 13.6580 16.3455 16.3455 16.6682 16.6682 k = 0.2153 0.2093 0.8940 ( 3224 PWs) bands (ev): -22.9461 -22.9461 -5.8715 -5.8715 -4.7646 -4.7646 -4.7544 -4.7544 2.5311 2.5311 3.3287 3.3287 4.1493 4.1493 4.1872 4.1872 5.6515 5.6515 5.8126 5.8126 6.0392 6.0392 6.1303 6.1303 7.0060 7.0060 7.1654 7.1654 7.4029 7.4029 7.4603 7.4603 8.6719 8.6719 9.2257 9.2257 9.3690 9.3690 10.4105 10.4105 10.5427 10.5427 13.6409 13.6409 16.3909 16.3909 16.7221 16.7221 k = 0.2222 0.1979 0.9074 ( 3218 PWs) bands (ev): -22.9460 -22.9460 -5.8718 -5.8718 -4.7648 -4.7648 -4.7548 -4.7548 2.5402 2.5402 3.3522 3.3522 4.1347 4.1347 4.1679 4.1679 5.6795 5.6795 5.8190 5.8190 6.0345 6.0345 6.1119 6.1119 7.0046 7.0046 7.1659 7.1659 7.4153 7.4153 7.4645 7.4645 8.7133 8.7133 9.2015 9.2015 9.3068 9.3068 10.4202 10.4202 10.5093 10.5093 13.6259 13.6259 16.4404 16.4404 16.7697 16.7697 k = 0.2292 0.1866 0.9207 ( 3214 PWs) bands (ev): -22.9460 -22.9460 -5.8720 -5.8720 -4.7651 -4.7651 -4.7551 -4.7551 2.5474 2.5474 3.3714 3.3714 4.1230 4.1230 4.1522 4.1522 5.7067 5.7067 5.8211 5.8211 6.0321 6.0321 6.0939 6.0939 7.0032 7.0032 7.1662 7.1662 7.4260 7.4260 7.4670 7.4670 8.7529 8.7529 9.1827 9.1827 9.2513 9.2513 10.4275 10.4275 10.4838 10.4838 13.6136 13.6136 16.4922 16.4922 16.8093 16.8093 k = 0.2361 0.1752 0.9340 ( 3212 PWs) bands (ev): -22.9459 -22.9459 -5.8722 -5.8722 -4.7654 -4.7654 -4.7552 -4.7552 2.5526 2.5526 3.3857 3.3857 4.1144 4.1144 4.1408 4.1408 5.7316 5.7316 5.8184 5.8184 6.0330 6.0330 6.0772 6.0772 7.0021 7.0021 7.1663 7.1663 7.4344 7.4344 7.4680 7.4680 8.7878 8.7878 9.1692 9.1692 9.2055 9.2055 10.4311 10.4311 10.4672 10.4672 13.6045 13.6045 16.5428 16.5428 16.8387 16.8387 k = 0.2431 0.1638 0.9474 ( 3206 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7656 -4.7656 -4.7552 -4.7552 2.5558 2.5558 3.3945 3.3945 4.1091 4.1091 4.1338 4.1338 5.7516 5.7516 5.8123 5.8123 6.0374 6.0374 6.0628 6.0628 7.0014 7.0014 7.1663 7.1663 7.4401 7.4401 7.4679 7.4679 8.8130 8.8130 9.1601 9.1601 9.1746 9.1746 10.4310 10.4310 10.4595 10.4595 13.5990 13.5990 16.5844 16.5844 16.8536 16.8536 k = 0.2500 0.1524 0.9607 ( 3208 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7656 -4.7656 -4.7553 -4.7553 2.5569 2.5569 3.3975 3.3975 4.1073 4.1073 4.1314 4.1314 5.7604 5.7604 5.8082 5.8082 6.0418 6.0418 6.0550 6.0550 7.0011 7.0011 7.1664 7.1664 7.4422 7.4422 7.4678 7.4678 8.8225 8.8225 9.1554 9.1554 9.1650 9.1650 10.4302 10.4302 10.4578 10.4578 13.5971 13.5971 16.6019 16.6019 16.8524 16.8524 k = 0.2500 0.1524 0.9607 ( 3208 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7656 -4.7656 -4.7553 -4.7553 2.5569 2.5569 3.3975 3.3975 4.1073 4.1073 4.1314 4.1314 5.7604 5.7604 5.8082 5.8082 6.0418 6.0418 6.0550 6.0550 7.0011 7.0011 7.1664 7.1664 7.4422 7.4422 7.4678 7.4678 8.8225 8.8225 9.1554 9.1554 9.1650 9.1650 10.4302 10.4302 10.4578 10.4578 13.5971 13.5971 16.6019 16.6019 16.8524 16.8524 k = 0.2632 0.1604 0.9513 ( 3210 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7656 -4.7656 -4.7553 -4.7553 2.5566 2.5566 3.3967 3.3967 4.1076 4.1076 4.1322 4.1322 5.7581 5.7581 5.8092 5.8092 6.0381 6.0381 6.0594 6.0594 7.0008 7.0008 7.1671 7.1671 7.4417 7.4417 7.4678 7.4678 8.8194 8.8194 9.1545 9.1545 9.1694 9.1694 10.4157 10.4157 10.4734 10.4734 13.5992 13.5992 16.5963 16.5963 16.7704 16.7704 k = 0.2763 0.1684 0.9420 ( 3216 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7655 -4.7655 -4.7553 -4.7553 2.5560 2.5560 3.3941 3.3941 4.1085 4.1085 4.1347 4.1347 5.7516 5.7516 5.8120 5.8120 6.0333 6.0333 6.0668 6.0668 7.0002 7.0002 7.1691 7.1691 7.4405 7.4405 7.4678 7.4678 8.8110 8.8110 9.1509 9.1509 9.1823 9.1823 10.3942 10.3942 10.4985 10.4985 13.6055 13.6055 16.5813 16.5813 16.6795 16.6795 k = 0.2895 0.1764 0.9326 ( 3212 PWs) bands (ev): -22.9459 -22.9459 -5.8722 -5.8722 -4.7654 -4.7654 -4.7553 -4.7553 2.5550 2.5550 3.3894 3.3894 4.1103 4.1103 4.1387 4.1387 5.7419 5.7419 5.8156 5.8156 6.0301 6.0301 6.0743 6.0743 6.9994 6.9994 7.1717 7.1717 7.4387 7.4387 7.4677 7.4677 8.7989 8.7989 9.1466 9.1466 9.2002 9.2002 10.3728 10.3728 10.5265 10.5265 13.6156 13.6156 16.5433 16.5433 16.6123 16.6123 k = 0.3026 0.1844 0.9232 ( 3212 PWs) bands (ev): -22.9459 -22.9459 -5.8722 -5.8722 -4.7653 -4.7653 -4.7553 -4.7553 2.5539 2.5539 3.3824 3.3824 4.1134 4.1134 4.1441 4.1441 5.7299 5.7299 5.8193 5.8193 6.0289 6.0289 6.0815 6.0815 6.9990 6.9990 7.1745 7.1745 7.4362 7.4362 7.4673 7.4673 8.7845 8.7845 9.1420 9.1420 9.2211 9.2211 10.3528 10.3528 10.5565 10.5565 13.6291 13.6291 16.4679 16.4679 16.5858 16.5858 k = 0.3158 0.1925 0.9138 ( 3201 PWs) bands (ev): -22.9460 -22.9460 -5.8721 -5.8721 -4.7652 -4.7652 -4.7552 -4.7552 2.5527 2.5527 3.3729 3.3729 4.1180 4.1180 4.1508 4.1508 5.7161 5.7161 5.8228 5.8228 6.0295 6.0295 6.0881 6.0881 6.9989 6.9989 7.1769 7.1769 7.4332 7.4332 7.4666 7.4666 8.7687 8.7687 9.1373 9.1373 9.2439 9.2439 10.3347 10.3347 10.5882 10.5882 13.6456 13.6456 16.3835 16.3835 16.5732 16.5732 k = 0.3289 0.2005 0.9044 ( 3209 PWs) bands (ev): -22.9460 -22.9460 -5.8720 -5.8720 -4.7651 -4.7651 -4.7551 -4.7551 2.5515 2.5515 3.3607 3.3607 4.1242 4.1242 4.1587 4.1587 5.7010 5.7010 5.8261 5.8261 6.0318 6.0318 6.0942 6.0942 6.9996 6.9996 7.1786 7.1786 7.4296 7.4296 7.4656 7.4656 8.7522 8.7522 9.1326 9.1326 9.2677 9.2677 10.3190 10.3190 10.6214 10.6214 13.6648 13.6648 16.3005 16.3005 16.5655 16.5655 k = 0.3421 0.2085 0.8950 ( 3216 PWs) bands (ev): -22.9460 -22.9460 -5.8719 -5.8719 -4.7650 -4.7650 -4.7550 -4.7550 2.5505 2.5505 3.3459 3.3459 4.1322 4.1322 4.1676 4.1676 5.6848 5.6848 5.8292 5.8292 6.0356 6.0356 6.0995 6.0995 7.0010 7.0010 7.1792 7.1792 7.4256 7.4256 7.4642 7.4642 8.7353 8.7353 9.1280 9.1280 9.2923 9.2923 10.3061 10.3061 10.6560 10.6560 13.6860 13.6860 16.2210 16.2210 16.5615 16.5615 k = 0.3553 0.2165 0.8856 ( 3222 PWs) bands (ev): -22.9460 -22.9460 -5.8718 -5.8718 -4.7649 -4.7649 -4.7549 -4.7549 2.5496 2.5496 3.3284 3.3284 4.1419 4.1419 4.1776 4.1776 5.6679 5.6679 5.8322 5.8322 6.0405 6.0405 6.1041 6.1041 7.0032 7.0032 7.1784 7.1784 7.4209 7.4209 7.4626 7.4626 8.7182 8.7182 9.1236 9.1236 9.3175 9.3175 10.2963 10.2963 10.6918 10.6918 13.7088 13.7088 16.1458 16.1458 16.5614 16.5614 k = 0.3684 0.2245 0.8762 ( 3222 PWs) bands (ev): -22.9461 -22.9461 -5.8717 -5.8717 -4.7647 -4.7647 -4.7548 -4.7548 2.5489 2.5489 3.3084 3.3084 4.1532 4.1532 4.1884 4.1884 5.6505 5.6505 5.8351 5.8351 6.0465 6.0465 6.1079 6.1079 7.0064 7.0064 7.1759 7.1759 7.4157 7.4157 7.4609 7.4609 8.7007 8.7007 9.1195 9.1195 9.3434 9.3434 10.2896 10.2896 10.7286 10.7286 13.7326 13.7326 16.0755 16.0755 16.5654 16.5654 k = 0.3816 0.2326 0.8668 ( 3221 PWs) bands (ev): -22.9461 -22.9461 -5.8715 -5.8715 -4.7644 -4.7644 -4.7547 -4.7547 2.5485 2.5485 3.2860 3.2860 4.1660 4.1660 4.2003 4.2003 5.6328 5.6328 5.8379 5.8379 6.0531 6.0531 6.1110 6.1110 7.0106 7.0106 7.1717 7.1717 7.4098 7.4098 7.4590 7.4590 8.6828 8.6828 9.1159 9.1159 9.3702 9.3702 10.2863 10.2863 10.7661 10.7661 13.7570 13.7570 16.0103 16.0103 16.5736 16.5736 k = 0.3947 0.2406 0.8574 ( 3220 PWs) bands (ev): -22.9461 -22.9461 -5.8714 -5.8714 -4.7642 -4.7642 -4.7546 -4.7546 2.5485 2.5485 3.2614 3.2614 4.1800 4.1800 4.2129 4.2129 5.6150 5.6150 5.8406 5.8406 6.0604 6.0604 6.1134 6.1134 7.0159 7.0159 7.1656 7.1656 7.4031 7.4031 7.4572 7.4572 8.6643 8.6643 9.1129 9.1129 9.3983 9.3983 10.2861 10.2861 10.8042 10.8042 13.7814 13.7814 15.9507 15.9507 16.5862 16.5862 k = 0.4079 0.2486 0.8480 ( 3224 PWs) bands (ev): -22.9462 -22.9462 -5.8712 -5.8712 -4.7638 -4.7638 -4.7546 -4.7546 2.5487 2.5487 3.2349 3.2349 4.1950 4.1950 4.2264 4.2264 5.5971 5.5971 5.8432 5.8432 6.0679 6.0679 6.1153 6.1153 7.0221 7.0221 7.1576 7.1576 7.3957 7.3957 7.4554 7.4554 8.6450 8.6450 9.1105 9.1105 9.4280 9.4280 10.2892 10.2892 10.8427 10.8427 13.8051 13.8051 15.8969 15.8969 16.6032 16.6032 k = 0.4211 0.2566 0.8386 ( 3228 PWs) bands (ev): -22.9462 -22.9462 -5.8710 -5.8710 -4.7635 -4.7635 -4.7545 -4.7545 2.5492 2.5492 3.2068 3.2068 4.2110 4.2110 4.2406 4.2406 5.5794 5.5794 5.8456 5.8456 6.0755 6.0755 6.1169 6.1169 7.0292 7.0292 7.1478 7.1478 7.3876 7.3876 7.4538 7.4538 8.6248 8.6248 9.1089 9.1089 9.4597 9.4597 10.2952 10.2952 10.8812 10.8812 13.8277 13.8277 15.8491 15.8491 16.6246 16.6246 k = 0.4342 0.2646 0.8293 ( 3228 PWs) bands (ev): -22.9463 -22.9463 -5.8708 -5.8708 -4.7631 -4.7631 -4.7545 -4.7545 2.5499 2.5499 3.1773 3.1773 4.2276 4.2276 4.2556 4.2556 5.5620 5.5620 5.8477 5.8477 6.0824 6.0824 6.1189 6.1189 7.0373 7.0373 7.1364 7.1364 7.3789 7.3789 7.4524 7.4524 8.6037 8.6037 9.1079 9.1079 9.4937 9.4937 10.3041 10.3041 10.9195 10.9195 13.8486 13.8486 15.8077 15.8077 16.6501 16.6501 k = 0.4474 0.2727 0.8199 ( 3226 PWs) bands (ev): -22.9463 -22.9463 -5.8706 -5.8706 -4.7626 -4.7626 -4.7545 -4.7545 2.5508 2.5508 3.1468 3.1468 4.2447 4.2447 4.2711 4.2711 5.5448 5.5448 5.8494 5.8494 6.0880 6.0880 6.1220 6.1220 7.0458 7.0458 7.1239 7.1239 7.3696 7.3696 7.4511 7.4511 8.5819 8.5819 9.1077 9.1077 9.5300 9.5300 10.3157 10.3157 10.9573 10.9573 13.8673 13.8673 15.7728 15.7728 16.6795 16.6795 k = 0.4605 0.2807 0.8105 ( 3226 PWs) bands (ev): -22.9464 -22.9464 -5.8703 -5.8703 -4.7621 -4.7621 -4.7544 -4.7544 2.5517 2.5517 3.1155 3.1155 4.2621 4.2621 4.2872 4.2872 5.5280 5.5280 5.8507 5.8507 6.0911 6.0911 6.1272 6.1272 7.0541 7.0541 7.1110 7.1110 7.3598 7.3598 7.4499 7.4499 8.5596 8.5596 9.1079 9.1079 9.5689 9.5689 10.3298 10.3298 10.9944 10.9944 13.8833 13.8833 15.7447 15.7447 16.7124 16.7124 k = 0.4737 0.2887 0.8011 ( 3232 PWs) bands (ev): -22.9464 -22.9464 -5.8701 -5.8701 -4.7616 -4.7616 -4.7544 -4.7544 2.5525 2.5525 3.0838 3.0838 4.2798 4.2798 4.3037 4.3037 5.5116 5.5116 5.8513 5.8513 6.0918 6.0918 6.1348 6.1348 7.0593 7.0593 7.1008 7.1008 7.3499 7.3499 7.4487 7.4487 8.5371 8.5371 9.1087 9.1087 9.6101 9.6101 10.3464 10.3464 11.0304 11.0304 13.8962 13.8962 15.7234 15.7234 16.7482 16.7482 k = 0.4868 0.2967 0.7917 ( 3234 PWs) bands (ev): -22.9465 -22.9465 -5.8698 -5.8698 -4.7610 -4.7610 -4.7544 -4.7544 2.5528 2.5528 3.0521 3.0521 4.2973 4.2973 4.3207 4.3207 5.4957 5.4957 5.8512 5.8512 6.0905 6.0905 6.1440 6.1440 7.0554 7.0554 7.0993 7.0993 7.3400 7.3400 7.4475 7.4475 8.5147 8.5147 9.1098 9.1098 9.6533 9.6533 10.3655 10.3655 11.0652 11.0652 13.9057 13.9057 15.7093 15.7093 16.7861 16.7861 k = 0.5000 0.3047 0.7823 ( 3238 PWs) bands (ev): -22.9466 -22.9466 -5.8696 -5.8696 -4.7605 -4.7605 -4.7543 -4.7543 2.5525 2.5525 3.0209 3.0209 4.3147 4.3147 4.3383 4.3383 5.4804 5.4804 5.8503 5.8503 6.0880 6.0880 6.1543 6.1543 7.0421 7.0421 7.1068 7.1068 7.3305 7.3305 7.4461 7.4461 8.4928 8.4928 9.1112 9.1112 9.6982 9.6982 10.3871 10.3871 11.0983 11.0983 13.9114 13.9114 15.7023 15.7023 16.8248 16.8248 k = 0.5000 0.3047 0.7823 ( 3238 PWs) bands (ev): -22.9466 -22.9466 -5.8696 -5.8696 -4.7605 -4.7605 -4.7543 -4.7543 2.5525 2.5525 3.0209 3.0209 4.3147 4.3147 4.3383 4.3383 5.4804 5.4804 5.8503 5.8503 6.0880 6.0880 6.1543 6.1543 7.0421 7.0421 7.1068 7.1068 7.3305 7.3305 7.4461 7.4461 8.4928 8.4928 9.1112 9.1112 9.6982 9.6982 10.3871 10.3871 11.0983 11.0983 13.9114 13.9114 15.7023 15.7023 16.8248 16.8248 k = 0.5000 0.3047 0.7637 ( 3222 PWs) bands (ev): -22.9467 -22.9467 -5.8690 -5.8690 -4.7595 -4.7595 -4.7540 -4.7540 2.5507 2.5507 2.9588 2.9588 4.3485 4.3485 4.3752 4.3752 5.4513 5.4513 5.8463 5.8463 6.0823 6.0823 6.1747 6.1747 7.0083 7.0083 7.1280 7.1280 7.3141 7.3141 7.4433 7.4433 8.4487 8.4487 9.1145 9.1145 9.7915 9.7915 10.4351 10.4351 11.1649 11.1649 13.9193 13.9193 15.6956 15.6956 16.8105 16.8105 k = 0.5000 0.3047 0.7450 ( 3222 PWs) bands (ev): -22.9469 -22.9469 -5.8683 -5.8683 -4.7589 -4.7589 -4.7531 -4.7531 2.5483 2.5483 2.8953 2.8953 4.3815 4.3815 4.4154 4.4154 5.4242 5.4242 5.8398 5.8398 6.0773 6.0773 6.1932 6.1932 6.9733 6.9733 7.1466 7.1466 7.3040 7.3040 7.4408 7.4408 8.4014 8.4014 9.1184 9.1184 9.8905 9.8905 10.4883 10.4883 11.2363 11.2363 13.9280 13.9280 15.6888 15.6888 16.7115 16.7115 k = 0.5000 0.3047 0.7264 ( 3214 PWs) bands (ev): -22.9470 -22.9470 -5.8676 -5.8676 -4.7587 -4.7587 -4.7518 -4.7518 2.5452 2.5452 2.8306 2.8306 4.4130 4.4130 4.4592 4.4592 5.3992 5.3992 5.8303 5.8303 6.0731 6.0731 6.2097 6.2097 6.9388 6.9388 7.1567 7.1567 7.3048 7.3048 7.4387 7.4387 8.3517 8.3517 9.1228 9.1228 9.9947 9.9947 10.5466 10.5466 11.3123 11.3123 13.9373 13.9373 15.6820 15.6820 16.6078 16.6078 k = 0.5000 0.3047 0.7078 ( 3214 PWs) bands (ev): -22.9472 -22.9472 -5.8669 -5.8669 -4.7588 -4.7588 -4.7500 -4.7500 2.5414 2.5414 2.7651 2.7651 4.4430 4.4430 4.5060 4.5060 5.3767 5.3767 5.8178 5.8178 6.0700 6.0700 6.2240 6.2240 6.9057 6.9057 7.1557 7.1557 7.3182 7.3182 7.4378 7.4378 8.3006 8.3006 9.1276 9.1276 10.1036 10.1036 10.6099 10.6099 11.3924 11.3924 13.9475 13.9475 15.6754 15.6754 16.5013 16.5013 k = 0.5000 0.3047 0.6892 ( 3214 PWs) bands (ev): -22.9474 -22.9474 -5.8661 -5.8661 -4.7590 -4.7590 -4.7479 -4.7479 2.5366 2.5366 2.6991 2.6991 4.4715 4.4715 4.5554 4.5554 5.3573 5.3573 5.8021 5.8021 6.0680 6.0680 6.2360 6.2360 6.8745 6.8745 7.1464 7.1464 7.3399 7.3399 7.4395 7.4395 8.2490 8.2490 9.1330 9.1330 10.2167 10.2167 10.6780 10.6780 11.4765 11.4765 13.9583 13.9583 15.6692 15.6692 16.3928 16.3928 k = 0.5000 0.3047 0.6705 ( 3208 PWs) bands (ev): -22.9476 -22.9476 -5.8653 -5.8653 -4.7594 -4.7594 -4.7456 -4.7456 2.5306 2.5306 2.6332 2.6332 4.4987 4.4987 4.6065 4.6065 5.3412 5.3412 5.7835 5.7835 6.0668 6.0668 6.2454 6.2454 6.8457 6.8457 7.1328 7.1328 7.3624 7.3624 7.4465 7.4465 8.1982 8.1982 9.1387 9.1387 10.3337 10.3337 10.7509 10.7509 11.5642 11.5642 13.9699 13.9699 15.6633 15.6633 16.2832 16.2832 k = 0.5000 0.3047 0.6519 ( 3214 PWs) bands (ev): -22.9478 -22.9478 -5.8644 -5.8644 -4.7598 -4.7598 -4.7432 -4.7432 2.5220 2.5220 2.5689 2.5689 4.5245 4.5245 4.6588 4.6588 5.3291 5.3291 5.7620 5.7620 6.0662 6.0662 6.2523 6.2523 6.8198 6.8198 7.1179 7.1179 7.3783 7.3783 7.4627 7.4627 8.1498 8.1498 9.1448 9.1448 10.4542 10.4542 10.8283 10.8283 11.6553 11.6553 13.9823 13.9823 15.6579 15.6579 16.1730 16.1730 k = 0.5000 0.3047 0.6333 ( 3210 PWs) bands (ev): -22.9480 -22.9480 -5.8635 -5.8635 -4.7603 -4.7603 -4.7405 -4.7405 2.4917 2.4917 2.5254 2.5254 4.5491 4.5491 4.7111 4.7111 5.3219 5.3219 5.7381 5.7381 6.0660 6.0660 6.2564 6.2564 6.7972 6.7972 7.1030 7.1030 7.3854 7.3854 7.4870 7.4870 8.1061 8.1061 9.1512 9.1512 10.5778 10.5778 10.9100 10.9100 11.7496 11.7496 13.9955 13.9955 15.6531 15.6531 16.0628 16.0628 k = 0.5000 0.3047 0.6147 ( 3214 PWs) bands (ev): -22.9482 -22.9482 -5.8626 -5.8626 -4.7608 -4.7608 -4.7377 -4.7377 2.4296 2.4296 2.5129 2.5129 4.5724 4.5724 4.7621 4.7621 5.3203 5.3203 5.7121 5.7121 6.0659 6.0659 6.2578 6.2578 6.7783 6.7783 7.0891 7.0891 7.3871 7.3871 7.5130 7.5130 8.0699 8.0699 9.1580 9.1580 10.7041 10.7041 10.9961 10.9961 11.8469 11.8469 14.0095 14.0095 15.6489 15.6489 15.9532 15.9532 k = 0.5000 0.3047 0.5960 ( 3206 PWs) bands (ev): -22.9484 -22.9484 -5.8617 -5.8617 -4.7613 -4.7613 -4.7348 -4.7348 2.3646 2.3646 2.5028 2.5028 4.5945 4.5945 4.8104 4.8104 5.3254 5.3254 5.6845 5.6845 6.0657 6.0657 6.2565 6.2565 6.7633 6.7633 7.0766 7.0766 7.3861 7.3861 7.5343 7.5343 8.0451 8.0451 9.1650 9.1650 10.8325 10.8325 11.0863 11.0863 11.9469 11.9469 14.0244 14.0244 15.6450 15.6450 15.8446 15.8446 k = 0.5000 0.3047 0.5774 ( 3202 PWs) bands (ev): -22.9487 -22.9487 -5.8607 -5.8607 -4.7618 -4.7618 -4.7318 -4.7318 2.2997 2.2997 2.4921 2.4921 4.6154 4.6154 4.8543 4.8543 5.3384 5.3384 5.6557 5.6557 6.0650 6.0650 6.2530 6.2530 6.7523 6.7523 7.0656 7.0656 7.3835 7.3835 7.5460 7.5460 8.0356 8.0356 9.1724 9.1724 10.9627 10.9627 11.1807 11.1807 12.0494 12.0494 14.0403 14.0403 15.6405 15.6405 15.7380 15.7380 k = 0.5000 0.3047 0.5588 ( 3206 PWs) bands (ev): -22.9489 -22.9489 -5.8597 -5.8597 -4.7623 -4.7623 -4.7286 -4.7286 2.2353 2.2353 2.4806 2.4806 4.6351 4.6351 4.8923 4.8923 5.3599 5.3599 5.6264 5.6264 6.0636 6.0636 6.2478 6.2478 6.7451 6.7451 7.0563 7.0563 7.3798 7.3798 7.5456 7.5456 8.0440 8.0440 9.1800 9.1800 11.0937 11.0937 11.2794 11.2794 12.1543 12.1543 14.0571 14.0571 15.6203 15.6203 15.6470 15.6470 k = 0.5000 0.3047 0.5402 ( 3210 PWs) bands (ev): -22.9492 -22.9492 -5.8587 -5.8587 -4.7629 -4.7629 -4.7254 -4.7254 2.1718 2.1718 2.4682 2.4682 4.6538 4.6538 4.9234 4.9234 5.3891 5.3891 5.5975 5.5975 6.0615 6.0615 6.2418 6.2418 6.7416 6.7416 7.0486 7.0486 7.3745 7.3745 7.5344 7.5344 8.0698 8.0698 9.1879 9.1879 11.2248 11.2248 11.3828 11.3828 12.2614 12.2614 14.0750 14.0750 15.5249 15.5249 15.6223 15.6223 k = 0.5000 0.3047 0.5215 ( 3216 PWs) bands (ev): -22.9494 -22.9494 -5.8577 -5.8577 -4.7634 -4.7634 -4.7221 -4.7221 2.1093 2.1093 2.4549 2.4549 4.6713 4.6713 4.9477 4.9477 5.4231 5.4231 5.5715 5.5715 6.0582 6.0582 6.2363 6.2363 6.7414 6.7414 7.0425 7.0425 7.3668 7.3668 7.5165 7.5165 8.1102 8.1102 9.1960 9.1960 11.3545 11.3545 11.4915 11.4915 12.3705 12.3705 14.0941 14.0941 15.4240 15.4240 15.5454 15.5454 k = 0.5000 0.3047 0.5029 ( 3224 PWs) bands (ev): -22.9496 -22.9496 -5.8566 -5.8566 -4.7640 -4.7640 -4.7187 -4.7187 2.0479 2.0479 2.4407 2.4407 4.6877 4.6877 4.9660 4.9660 5.4521 5.4521 5.5561 5.5561 6.0535 6.0535 6.2328 6.2328 6.7441 6.7441 7.0378 7.0378 7.3552 7.3552 7.4973 7.4973 8.1616 8.1616 9.2044 9.2044 11.4813 11.4813 11.6062 11.6062 12.4815 12.4815 14.1146 14.1146 15.3236 15.3236 15.3992 15.3992 k = 0.5000 0.3047 0.4843 ( 3224 PWs) bands (ev): -22.9499 -22.9499 -5.8556 -5.8556 -4.7645 -4.7645 -4.7153 -4.7153 1.9877 1.9877 2.4257 2.4257 4.7032 4.7032 4.9796 4.9796 5.4566 5.4566 5.5682 5.5682 6.0471 6.0471 6.2335 6.2335 6.7492 6.7492 7.0343 7.0343 7.3380 7.3380 7.4818 7.4818 8.2212 8.2212 9.2131 9.2131 11.6040 11.6040 11.7276 11.7276 12.5942 12.5942 14.1365 14.1365 15.2091 15.2091 15.2532 15.2532 k = 0.5000 0.3047 0.4657 ( 3228 PWs) bands (ev): -22.9501 -22.9501 -5.8546 -5.8546 -4.7651 -4.7651 -4.7118 -4.7118 1.9290 1.9290 2.4099 2.4099 4.7175 4.7175 4.9895 4.9895 5.4377 5.4377 5.6035 5.6035 6.0384 6.0384 6.2406 6.2406 6.7564 6.7564 7.0319 7.0319 7.3151 7.3151 7.4728 7.4728 8.2869 8.2869 9.2221 9.2221 11.7224 11.7224 11.8546 11.8546 12.7084 12.7084 14.1599 14.1599 15.0502 15.0502 15.1512 15.1512 k = 0.5000 0.3047 0.4470 ( 3236 PWs) bands (ev): -22.9504 -22.9504 -5.8535 -5.8535 -4.7656 -4.7656 -4.7083 -4.7083 1.8717 1.8717 2.3935 2.3935 4.7309 4.7309 4.9970 4.9970 5.4108 5.4108 5.6438 5.6438 6.0274 6.0274 6.2565 6.2565 6.7653 6.7653 7.0304 7.0304 7.2879 7.2879 7.4706 7.4706 8.3572 8.3572 9.2314 9.2314 11.8374 11.8374 11.9857 11.9857 12.8239 12.8239 14.1851 14.1851 14.8796 14.8796 15.0639 15.0639 k = 0.5000 0.3047 0.4284 ( 3236 PWs) bands (ev): -22.9506 -22.9506 -5.8525 -5.8525 -4.7661 -4.7661 -4.7047 -4.7047 1.8160 1.8160 2.3766 2.3766 4.7433 4.7433 5.0026 5.0026 5.3817 5.3817 5.6806 5.6806 6.0140 6.0140 6.2826 6.2826 6.7758 6.7758 7.0296 7.0296 7.2590 7.2590 7.4741 7.4741 8.4310 8.4310 9.2409 9.2409 11.9497 11.9497 12.1186 12.1186 12.9406 12.9406 14.2121 14.2121 14.7069 14.7069 14.9834 14.9834 k = 0.5000 0.3047 0.4098 ( 3242 PWs) bands (ev): -22.9509 -22.9509 -5.8515 -5.8515 -4.7666 -4.7666 -4.7012 -4.7012 1.7620 1.7620 2.3592 2.3592 4.7547 4.7547 5.0070 5.0070 5.3522 5.3522 5.7104 5.7104 5.9985 5.9985 6.3194 6.3194 6.7879 6.7879 7.0292 7.0292 7.2304 7.2304 7.4825 7.4825 8.5078 8.5078 9.2509 9.2509 12.0597 12.0597 12.2519 12.2519 13.0581 13.0581 14.2401 14.2401 14.5346 14.5346 14.9096 14.9096 k = 0.5000 0.3047 0.3911 ( 3234 PWs) bands (ev): -22.9511 -22.9511 -5.8505 -5.8505 -4.7671 -4.7671 -4.6976 -4.6976 1.7098 1.7098 2.3415 2.3415 4.7650 4.7650 5.0105 5.0105 5.3231 5.3231 5.7323 5.7323 5.9812 5.9812 6.3658 6.3658 6.8016 6.8016 7.0292 7.0292 7.2035 7.2035 7.4953 7.4953 8.5868 8.5868 9.2613 9.2613 12.1670 12.1670 12.3839 12.3839 13.1763 13.1763 14.2617 14.2617 14.3712 14.3712 14.8433 14.8433 k = 0.5000 0.3047 0.3725 ( 3230 PWs) bands (ev): -22.9514 -22.9514 -5.8495 -5.8495 -4.7675 -4.7675 -4.6941 -4.6941 1.6595 1.6595 2.3236 2.3236 4.7743 4.7743 5.0133 5.0133 5.2947 5.2947 5.7466 5.7466 5.9626 5.9626 6.4191 6.4191 6.8173 6.8173 7.0293 7.0293 7.1796 7.1796 7.5123 7.5123 8.6676 8.6676 9.2722 9.2722 12.2711 12.2711 12.5136 12.5136 13.2949 13.2949 14.1692 14.1692 14.3251 14.3251 14.7856 14.7856 k = 0.5000 0.3047 0.3539 ( 3238 PWs) bands (ev): -22.9516 -22.9516 -5.8486 -5.8486 -4.7680 -4.7680 -4.6907 -4.6907 1.6111 1.6111 2.3056 2.3056 4.7826 4.7826 5.0154 5.0154 5.2675 5.2675 5.7545 5.7545 5.9431 5.9431 6.4757 6.4757 6.8354 6.8354 7.0297 7.0297 7.1595 7.1595 7.5335 7.5335 8.7498 8.7498 9.2836 9.2836 12.3710 12.3710 12.6396 12.6396 13.4132 13.4132 14.0017 14.0017 14.3579 14.3579 14.7379 14.7379 k = 0.5000 0.3047 0.3353 ( 3242 PWs) bands (ev): -22.9518 -22.9518 -5.8477 -5.8477 -4.7684 -4.7684 -4.6872 -4.6872 1.5648 1.5648 2.2877 2.2877 4.7898 4.7898 5.0170 5.0170 5.2416 5.2416 5.7576 5.7576 5.9229 5.9229 6.5315 6.5315 6.8564 6.8564 7.0304 7.0304 7.1441 7.1441 7.5592 7.5592 8.8329 8.8329 9.2958 9.2958 12.4654 12.4654 12.7607 12.7607 13.5299 13.5299 13.8319 13.8319 14.3988 14.3988 14.7017 14.7017 k = 0.5000 0.3047 0.3166 ( 3244 PWs) bands (ev): -22.9520 -22.9520 -5.8468 -5.8468 -4.7688 -4.7688 -4.6839 -4.6839 1.5205 1.5205 2.2700 2.2700 4.7961 4.7961 5.0179 5.0179 5.2173 5.2173 5.7570 5.7570 5.9025 5.9025 6.5825 6.5825 6.8800 6.8800 7.0319 7.0319 7.1349 7.1349 7.5897 7.5897 8.9167 8.9167 9.3088 9.3088 12.5527 12.5527 12.8754 12.8754 13.6188 13.6188 13.6903 13.6903 14.4440 14.4440 14.6791 14.6791 k = 0.5000 0.3047 0.2980 ( 3242 PWs) bands (ev): -22.9522 -22.9522 -5.8460 -5.8460 -4.7692 -4.7692 -4.6806 -4.6806 1.4785 1.4785 2.2525 2.2525 4.8013 4.8013 5.0180 5.0180 5.1950 5.1950 5.7537 5.7537 5.8822 5.8822 6.6260 6.6260 6.9039 6.9039 7.0346 7.0346 7.1339 7.1339 7.6255 7.6255 9.0005 9.0005 9.3230 9.3230 12.6312 12.6312 12.9813 12.9813 13.4842 13.4842 13.7744 13.7744 14.4926 14.4926 14.6720 14.6720 k = 0.5000 0.3047 0.2794 ( 3238 PWs) bands (ev): -22.9524 -22.9524 -5.8452 -5.8452 -4.7695 -4.7695 -4.6775 -4.6775 1.4387 1.4387 2.2355 2.2355 4.8055 4.8055 5.0171 5.0171 5.1748 5.1748 5.7486 5.7486 5.8621 5.8621 6.6607 6.6607 6.9243 6.9243 7.0384 7.0384 7.1440 7.1440 7.6671 7.6671 9.0839 9.0839 9.3387 9.3387 12.6991 12.6991 13.0702 13.0702 13.3297 13.3297 13.8883 13.8883 14.5437 14.5437 14.6822 14.6822 k = 0.5000 0.3047 0.2608 ( 3244 PWs) bands (ev): -22.9526 -22.9526 -5.8444 -5.8444 -4.7699 -4.7699 -4.6744 -4.6744 1.4011 1.4011 2.2189 2.2189 4.8089 4.8089 5.0149 5.0149 5.1572 5.1572 5.7421 5.7421 5.8428 5.8428 6.6874 6.6874 6.9379 6.9379 7.0417 7.0417 7.1670 7.1670 7.7149 7.7149 9.1659 9.1659 9.3566 9.3566 12.7544 12.7544 13.0793 13.0793 13.2481 13.2481 14.0023 14.0023 14.5967 14.5967 14.7104 14.7104 k = 0.5000 0.3047 0.2421 ( 3242 PWs) bands (ev): -22.9528 -22.9528 -5.8437 -5.8437 -4.7702 -4.7702 -4.6715 -4.6715 1.3660 1.3660 2.2030 2.2030 4.8114 4.8114 5.0113 5.0113 5.1425 5.1425 5.7346 5.7346 5.8244 5.8244 6.7079 6.7079 6.9450 6.9450 7.0437 7.0437 7.2004 7.2004 7.7688 7.7688 9.2446 9.2446 9.3786 9.3786 12.7920 12.7920 12.9552 12.9552 13.2983 13.2983 14.1149 14.1149 14.6514 14.6514 14.7555 14.7555 k = 0.5000 0.3047 0.2235 ( 3240 PWs) bands (ev): -22.9530 -22.9530 -5.8430 -5.8430 -4.7705 -4.7705 -4.6687 -4.6687 1.3332 1.3332 2.1879 2.1879 4.8131 4.8131 5.0060 5.0060 5.1307 5.1307 5.7264 5.7264 5.8074 5.8074 6.7236 6.7236 6.9478 6.9478 7.0443 7.0443 7.2390 7.2390 7.8285 7.8285 9.3148 9.3148 9.4096 9.4096 12.7571 12.7571 12.8651 12.8651 13.3685 13.3685 14.2259 14.2259 14.7082 14.7082 14.8138 14.8138 k = 0.5000 0.3047 0.2049 ( 3236 PWs) bands (ev): -22.9532 -22.9532 -5.8424 -5.8424 -4.7707 -4.7707 -4.6661 -4.6661 1.3029 1.3029 2.1736 2.1736 4.8142 4.8142 4.9990 4.9990 5.1220 5.1220 5.7175 5.7175 5.7918 5.7918 6.7361 6.7361 6.9482 6.9482 7.0441 7.0441 7.2781 7.2781 7.8930 7.8930 9.3667 9.3667 9.4592 9.4592 12.6138 12.6138 12.8703 12.8703 13.4349 13.4349 14.3348 14.3348 14.7655 14.7655 14.8814 14.8814 k = 0.5000 0.3047 0.1863 ( 3240 PWs) bands (ev): -22.9533 -22.9533 -5.8418 -5.8418 -4.7709 -4.7709 -4.6637 -4.6637 1.2751 1.2751 2.1602 2.1602 4.8148 4.8148 4.9908 4.9908 5.1158 5.1158 5.7081 5.7081 5.7780 5.7780 6.7462 6.7462 6.9475 6.9475 7.0436 7.0436 7.3150 7.3150 7.9608 7.9608 9.4015 9.4015 9.5263 9.5263 12.4588 12.4588 12.8793 12.8793 13.4945 13.4945 14.4403 14.4403 14.8200 14.8200 14.9539 14.9539 k = 0.5000 0.3047 0.1676 ( 3234 PWs) bands (ev): -22.9534 -22.9534 -5.8412 -5.8412 -4.7712 -4.7712 -4.6614 -4.6614 1.2498 1.2498 2.1478 2.1478 4.8149 4.8149 4.9819 4.9819 5.1118 5.1118 5.6986 5.6986 5.7660 5.7660 6.7546 6.7546 6.9464 6.9464 7.0428 7.0428 7.3486 7.3486 8.0299 8.0299 9.4299 9.4299 9.5996 9.5996 12.3052 12.3052 12.8822 12.8822 13.5470 13.5470 14.5399 14.5399 14.8678 14.8678 15.0241 15.0241 k = 0.5000 0.3047 0.1490 ( 3234 PWs) bands (ev): -22.9536 -22.9536 -5.8408 -5.8408 -4.7713 -4.7713 -4.6594 -4.6594 1.2271 1.2271 2.1365 2.1365 4.8147 4.8147 4.9727 4.9727 5.1093 5.1093 5.6891 5.6891 5.7557 5.7557 6.7616 6.7616 6.9451 6.9451 7.0420 7.0420 7.3782 7.3782 8.0981 8.0981 9.4568 9.4568 9.6737 9.6737 12.1560 12.1560 12.8797 12.8797 13.5927 13.5927 14.6278 14.6278 14.9079 14.9079 15.0816 15.0816 k = 0.5000 0.3047 0.1304 ( 3242 PWs) bands (ev): -22.9537 -22.9537 -5.8403 -5.8403 -4.7715 -4.7715 -4.6575 -4.6575 1.2070 1.2070 2.1264 2.1264 4.8143 4.8143 4.9637 4.9637 5.1080 5.1080 5.6799 5.6799 5.7471 5.7471 6.7676 6.7676 6.9439 6.9439 7.0412 7.0412 7.4040 7.4040 8.1633 8.1633 9.4837 9.4837 9.7464 9.7464 12.0128 12.0128 12.8731 12.8731 13.6318 13.6318 14.6944 14.6944 14.9460 14.9460 15.1199 15.1199 k = 0.5000 0.3047 0.1118 ( 3238 PWs) bands (ev): -22.9538 -22.9538 -5.8400 -5.8400 -4.7717 -4.7717 -4.6559 -4.6559 1.1895 1.1895 2.1175 2.1175 4.8138 4.8138 4.9553 4.9553 5.1074 5.1074 5.6715 5.6715 5.7399 5.7399 6.7727 6.7727 6.9429 6.9429 7.0404 7.0404 7.4259 7.4259 8.2234 8.2234 9.5105 9.5105 9.8167 9.8167 11.8775 11.8775 12.8641 12.8641 13.6649 13.6649 14.7301 14.7301 14.9918 14.9918 15.1445 15.1445 k = 0.5000 0.3047 0.0931 ( 3234 PWs) bands (ev): -22.9539 -22.9539 -5.8397 -5.8397 -4.7718 -4.7718 -4.6545 -4.6545 1.1747 1.1747 2.1099 2.1099 4.8132 4.8132 4.9478 4.9478 5.1072 5.1072 5.6640 5.6640 5.7340 5.7340 6.7769 6.7769 6.9420 6.9420 7.0397 7.0397 7.4441 7.4441 8.2768 8.2768 9.5364 9.5364 9.8833 9.8833 11.7526 11.7526 12.8540 12.8540 13.6923 13.6923 14.7377 14.7377 15.0459 15.0459 15.1625 15.1625 k = 0.5000 0.3047 0.0745 ( 3226 PWs) bands (ev): -22.9539 -22.9539 -5.8394 -5.8394 -4.7719 -4.7719 -4.6534 -4.6534 1.1625 1.1625 2.1036 2.1036 4.8127 4.8127 4.9415 4.9415 5.1073 5.1073 5.6576 5.6576 5.7292 5.7292 6.7803 6.7803 6.9413 6.9413 7.0392 7.0392 7.4588 7.4588 8.3220 8.3220 9.5604 9.5604 9.9445 9.9445 11.6410 11.6410 12.8441 12.8441 13.7144 13.7144 14.7298 14.7298 15.0993 15.0993 15.1763 15.1763 k = 0.5000 0.3047 0.0559 ( 3226 PWs) bands (ev): -22.9540 -22.9540 -5.8392 -5.8392 -4.7719 -4.7719 -4.6525 -4.6525 1.1530 1.1530 2.0987 2.0987 4.8122 4.8122 4.9364 4.9364 5.1074 5.1074 5.6526 5.6526 5.7256 5.7256 6.7830 6.7830 6.9408 6.9408 7.0387 7.0387 7.4702 7.4702 8.3581 8.3581 9.5811 9.5811 9.9980 9.9980 11.5465 11.5465 12.8353 12.8353 13.7313 13.7313 14.7167 14.7167 15.1441 15.1441 15.1866 15.1866 k = 0.5000 0.3047 0.0373 ( 3224 PWs) bands (ev): -22.9540 -22.9540 -5.8391 -5.8391 -4.7720 -4.7720 -4.6519 -4.6519 1.1463 1.1463 2.0951 2.0951 4.8119 4.8119 4.9327 4.9327 5.1076 5.1076 5.6489 5.6489 5.7231 5.7231 6.7850 6.7850 6.9404 6.9404 7.0383 7.0383 7.4782 7.4782 8.3842 8.3842 9.5971 9.5971 10.0405 10.0405 11.4736 11.4736 12.8285 12.8285 13.7433 13.7433 14.7045 14.7045 15.1766 15.1766 15.1937 15.1937 k = 0.5000 0.3047 0.0186 ( 3236 PWs) bands (ev): -22.9540 -22.9540 -5.8390 -5.8390 -4.7720 -4.7720 -4.6515 -4.6515 1.1422 1.1422 2.0930 2.0930 4.8116 4.8116 4.9304 4.9304 5.1077 5.1077 5.6467 5.6467 5.7215 5.7215 6.7861 6.7861 6.9402 6.9402 7.0381 7.0381 7.4831 7.4831 8.4001 8.4001 9.6073 9.6073 10.0683 10.0683 11.4272 11.4272 12.8242 12.8242 13.7505 13.7505 14.6961 14.6961 15.1947 15.1947 15.1993 15.1993 k = 0.5000 0.3047 0.0000 ( 3244 PWs) bands (ev): -22.9541 -22.9541 -5.8389 -5.8389 -4.7720 -4.7720 -4.6514 -4.6514 1.1408 1.1408 2.0922 2.0922 4.8116 4.8116 4.9296 4.9296 5.1078 5.1078 5.6459 5.6459 5.7210 5.7210 6.7865 6.7865 6.9401 6.9401 7.0380 7.0380 7.4847 7.4847 8.4054 8.4054 9.6107 9.6107 10.0779 10.0779 11.4113 11.4113 12.8227 12.8227 13.7528 13.7528 14.6932 14.6932 15.1978 15.1978 15.2039 15.2039 k = 0.0000 0.0000 0.9607 ( 3228 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7686 -4.7686 -4.7522 -4.7522 2.5562 2.5562 3.3984 3.3984 4.0885 4.0885 4.1502 4.1502 5.7803 5.7803 5.7823 5.7823 5.9634 5.9634 6.1279 6.1279 6.9636 6.9636 7.2695 7.2695 7.4591 7.4591 7.4699 7.4699 8.6886 8.6886 9.1172 9.1172 9.2107 9.2107 10.1820 10.1820 10.7691 10.7691 13.8753 13.8753 15.7383 15.7383 16.3902 16.3902 k = 0.0156 0.0095 0.9607 ( 3228 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7686 -4.7686 -4.7522 -4.7522 2.5562 2.5562 3.3984 3.3984 4.0886 4.0886 4.1501 4.1501 5.7790 5.7790 5.7837 5.7837 5.9638 5.9638 6.1276 6.1276 6.9639 6.9639 7.2686 7.2686 7.4589 7.4589 7.4699 7.4699 8.6899 8.6899 9.1174 9.1174 9.2105 9.2105 10.1831 10.1831 10.7674 10.7674 13.8723 13.8723 15.7434 15.7434 16.3928 16.3929 k = 0.0312 0.0190 0.9607 ( 3228 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7685 -4.7685 -4.7523 -4.7523 2.5562 2.5562 3.3984 3.3984 4.0890 4.0890 4.1497 4.1497 5.7771 5.7771 5.7857 5.7857 5.9650 5.9650 6.1265 6.1265 6.9646 6.9646 7.2661 7.2661 7.4583 7.4583 7.4697 7.4697 8.6939 8.6939 9.1178 9.1178 9.2099 9.2099 10.1866 10.1866 10.7621 10.7621 13.8636 13.8636 15.7586 15.7586 16.4007 16.4007 k = 0.0469 0.0286 0.9607 ( 3224 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7684 -4.7684 -4.7524 -4.7524 2.5563 2.5563 3.3984 3.3984 4.0896 4.0896 4.1491 4.1491 5.7752 5.7752 5.7879 5.7879 5.9671 5.9671 6.1248 6.1248 6.9659 6.9659 7.2619 7.2619 7.4572 7.4572 7.4695 7.4695 8.7003 8.7003 9.1184 9.1184 9.2089 9.2089 10.1923 10.1923 10.7533 10.7533 13.8495 13.8495 15.7838 15.7838 16.4131 16.4131 k = 0.0625 0.0381 0.9607 ( 3228 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7683 -4.7683 -4.7525 -4.7525 2.5563 2.5563 3.3983 3.3983 4.0905 4.0905 4.1483 4.1483 5.7734 5.7734 5.7901 5.7901 5.9699 5.9699 6.1223 6.1223 6.9676 6.9676 7.2562 7.2562 7.4558 7.4558 7.4693 7.4693 8.7089 8.7089 9.1194 9.1194 9.2075 9.2075 10.2002 10.2002 10.7413 10.7413 13.8308 13.8308 15.8189 15.8189 16.4295 16.4295 k = 0.0781 0.0476 0.9607 ( 3230 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7681 -4.7681 -4.7527 -4.7527 2.5563 2.5563 3.3982 3.3982 4.0916 4.0916 4.1472 4.1472 5.7716 5.7716 5.7923 5.7923 5.9734 5.9734 6.1192 6.1192 6.9697 6.9697 7.2491 7.2491 7.4542 7.4542 7.4691 7.4691 8.7193 8.7193 9.1207 9.1207 9.2056 9.2056 10.2104 10.2104 10.7262 10.7262 13.8084 13.8084 15.8635 15.8635 16.4487 16.4487 k = 0.0938 0.0571 0.9607 ( 3226 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7679 -4.7679 -4.7529 -4.7529 2.5564 2.5564 3.3981 3.3981 4.0928 4.0928 4.1459 4.1459 5.7699 5.7699 5.7946 5.7946 5.9777 5.9777 6.1154 6.1154 6.9724 6.9724 7.2408 7.2408 7.4525 7.4525 7.4689 7.4689 8.7310 8.7310 9.1223 9.1223 9.2034 9.2034 10.2227 10.2227 10.7084 10.7084 13.7833 13.7833 15.9174 15.9174 16.4698 16.4698 k = 0.1094 0.0667 0.9607 ( 3222 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7677 -4.7677 -4.7532 -4.7532 2.5565 2.5565 3.3980 3.3980 4.0943 4.0943 4.1445 4.1445 5.7682 5.7682 5.7967 5.7967 5.9826 5.9826 6.1110 6.1110 6.9754 6.9754 7.2317 7.2317 7.4507 7.4507 7.4687 7.4687 8.7437 8.7437 9.1242 9.1242 9.2007 9.2007 10.2372 10.2372 10.6879 10.6879 13.7566 13.7566 15.9800 15.9800 16.4917 16.4917 k = 0.1250 0.0762 0.9607 ( 3222 PWs) bands (ev): -22.9459 -22.9459 -5.8724 -5.8724 -4.7674 -4.7674 -4.7534 -4.7534 2.5565 2.5565 3.3980 3.3980 4.0959 4.0959 4.1428 4.1428 5.7667 5.7667 5.7988 5.7988 5.9882 5.9882 6.1059 6.1059 6.9787 6.9787 7.2219 7.2219 7.4491 7.4491 7.4685 7.4685 8.7568 8.7568 9.1265 9.1265 9.1976 9.1976 10.2536 10.2536 10.6653 10.6653 13.7293 13.7293 16.0511 16.0511 16.5136 16.5136 k = 0.1406 0.0857 0.9607 ( 3226 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7672 -4.7672 -4.7537 -4.7537 2.5566 2.5566 3.3979 3.3979 4.0977 4.0977 4.1411 4.1411 5.7653 5.7653 5.8008 5.8008 5.9943 5.9943 6.1003 6.1003 6.9823 6.9823 7.2119 7.2119 7.4475 7.4475 7.4683 7.4683 8.7698 8.7698 9.1293 9.1293 9.1942 9.1942 10.2720 10.2720 10.6408 10.6408 13.7026 13.7026 16.1300 16.1300 16.5347 16.5347 k = 0.1562 0.0952 0.9607 ( 3218 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7669 -4.7669 -4.7540 -4.7540 2.5567 2.5567 3.3978 3.3978 4.0995 4.0995 4.1393 4.1393 5.7641 5.7641 5.8026 5.8026 6.0010 6.0010 6.0941 6.0941 6.9860 6.9860 7.2019 7.2019 7.4461 7.4461 7.4682 7.4682 8.7823 8.7823 9.1324 9.1324 9.1903 9.1903 10.2922 10.2922 10.6147 10.6147 13.6773 13.6773 16.2161 16.2161 16.5544 16.5544 k = 0.1719 0.1048 0.9607 ( 3214 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7666 -4.7666 -4.7542 -4.7542 2.5567 2.5567 3.3977 3.3977 4.1013 4.1013 4.1374 4.1374 5.7630 5.7630 5.8042 5.8042 6.0080 6.0080 6.0875 6.0875 6.9897 6.9897 7.1924 7.1924 7.4449 7.4449 7.4681 7.4681 8.7936 8.7936 9.1359 9.1359 9.1861 9.1861 10.3141 10.3141 10.5874 10.5874 13.6544 13.6544 16.3088 16.3088 16.5723 16.5723 k = 0.1875 0.1143 0.9607 ( 3204 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7664 -4.7664 -4.7545 -4.7545 2.5568 2.5568 3.3976 3.3976 4.1031 4.1031 4.1357 4.1357 5.7621 5.7621 5.8056 5.8056 6.0155 6.0155 6.0805 6.0805 6.9933 6.9933 7.1839 7.1839 7.4439 7.4439 7.4680 7.4680 8.8035 8.8035 9.1398 9.1398 9.1816 9.1816 10.3375 10.3375 10.5594 10.5594 13.6347 13.6347 16.4066 16.4066 16.5887 16.5887 k = 0.2031 0.1238 0.9607 ( 3210 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7661 -4.7661 -4.7547 -4.7547 2.5568 2.5568 3.3976 3.3976 4.1047 4.1047 4.1340 4.1340 5.7613 5.7613 5.8067 5.8067 6.0231 6.0231 6.0732 6.0732 6.9964 6.9964 7.1766 7.1766 7.4432 7.4432 7.4679 7.4679 8.8116 8.8116 9.1441 9.1441 9.1769 9.1769 10.3622 10.3622 10.5308 10.5308 13.6186 13.6186 16.5057 16.5057 16.6065 16.6065 k = 0.2188 0.1333 0.9607 ( 3206 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7659 -4.7659 -4.7550 -4.7550 2.5569 2.5569 3.3975 3.3975 4.1061 4.1061 4.1327 4.1327 5.7608 5.7608 5.8075 5.8075 6.0308 6.0308 6.0658 6.0658 6.9989 6.9989 7.1710 7.1710 7.4426 7.4426 7.4678 7.4678 8.8176 8.8176 9.1485 9.1485 9.1722 9.1722 10.3879 10.3879 10.5023 10.5023 13.6068 13.6068 16.5790 16.5790 16.6517 16.6517 k = 0.2344 0.1428 0.9607 ( 3206 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7658 -4.7658 -4.7551 -4.7551 2.5569 2.5569 3.3975 3.3975 4.1070 4.1070 4.1318 4.1318 5.7605 5.7605 5.8080 5.8080 6.0379 6.0379 6.0588 6.0588 7.0005 7.0005 7.1675 7.1675 7.4423 7.4423 7.4678 7.4678 8.8213 8.8213 9.1528 9.1528 9.1677 9.1677 10.4136 10.4136 10.4749 10.4749 13.5995 13.5995 16.5982 16.5982 16.7513 16.7513 k = 0.2500 0.1524 0.9607 ( 3208 PWs) bands (ev): -22.9459 -22.9459 -5.8723 -5.8723 -4.7656 -4.7656 -4.7553 -4.7553 2.5569 2.5569 3.3975 3.3975 4.1073 4.1073 4.1314 4.1314 5.7604 5.7604 5.8082 5.8082 6.0418 6.0418 6.0550 6.0550 7.0011 7.0011 7.1664 7.1664 7.4422 7.4422 7.4678 7.4678 8.8225 8.8225 9.1554 9.1554 9.1650 9.1650 10.4302 10.4302 10.4578 10.4578 13.5971 13.5971 16.6019 16.6019 16.8524 16.8524 Writing output data file SrxSiAux2.save init_run : 0.50s CPU 0.63s WALL ( 1 calls) electrons : 236.89s CPU 239.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 236.88s CPU 239.93s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 336 calls) cegterg : 219.99s CPU 222.59s WALL ( 711 calls) Called by sum_band: Called by *egterg: h_psi : 140.57s CPU 142.39s WALL ( 11196 calls) s_psi : 8.47s CPU 8.43s WALL ( 11196 calls) g_psi : 0.27s CPU 0.25s WALL ( 10149 calls) cdiaghg : 66.89s CPU 67.59s WALL ( 10485 calls) cegterg:over : 6.15s CPU 6.22s WALL ( 10149 calls) cegterg:upda : 5.16s CPU 5.30s WALL ( 10149 calls) cegterg:last : 2.60s CPU 2.68s WALL ( 1728 calls) cdiaghg:chol : 3.88s CPU 3.78s WALL ( 10485 calls) cdiaghg:inve : 2.54s CPU 2.52s WALL ( 10485 calls) cdiaghg:para : 3.79s CPU 3.82s WALL ( 20970 calls) Called by h_psi: h_psi:vloc : 122.16s CPU 123.82s WALL ( 11196 calls) h_psi:vnl : 18.13s CPU 18.34s WALL ( 11196 calls) add_vuspsi : 9.55s CPU 9.66s WALL ( 11196 calls) General routines calbec : 8.55s CPU 8.65s WALL ( 11196 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 108.68s CPU 110.64s WALL ( 1045064 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.16s WALL ( 672 calls) Parallel routines fft_scatter : 37.16s CPU 38.25s WALL ( 1045087 calls) PWSCF : 4m11.82s CPU 4m28.61s WALL This run was terminated on: 13:32:19 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=