Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2: 4 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: ./ZrxNiPx2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 35 10 652 504 83 Max 42 36 11 655 518 86 Sum 1507 1277 379 23549 18337 3049 bravais-lattice index = 14 lattice parameter (alat) = 9.6558 a.u. unit-cell volume = 383.8829 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.655831 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.754555 celldm(5)= -0.754555 celldm(6)= 0.509110 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.509110 0.860702 0.000000 ) a(3) = ( -0.754555 -0.430351 0.495424 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.591505 1.009236 ) b(2) = ( 0.000000 1.161843 1.009236 ) b(3) = ( 0.000000 0.000000 2.018472 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Ni 10.00 58.69340 Ni( 1.00) P 5.00 30.97380 P( 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= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0000000 0.0000000 0.0160196), wk = 0.0024876 k( 3) = ( 0.0000000 0.0000000 0.0320393), wk = 0.0024876 k( 4) = ( 0.0000000 0.0000000 0.0480589), wk = 0.0024876 k( 5) = ( 0.0000000 0.0000000 0.0640785), wk = 0.0024876 k( 6) = ( 0.0000000 0.0000000 0.0800981), wk = 0.0024876 k( 7) = ( 0.0000000 0.0000000 0.0961177), wk = 0.0024876 k( 8) = ( 0.0000000 0.0000000 0.1121374), wk = 0.0024876 k( 9) = ( 0.0000000 0.0000000 0.1281570), wk = 0.0024876 k( 10) = ( 0.0000000 0.0000000 0.1441766), wk = 0.0024876 k( 11) = ( 0.0000000 0.0000000 0.1601962), wk = 0.0024876 k( 12) = ( 0.0000000 0.0000000 0.1762158), wk = 0.0024876 k( 13) = ( 0.0000000 0.0000000 0.1922355), wk = 0.0024876 k( 14) = ( 0.0000000 0.0000000 0.2082551), wk = 0.0024876 k( 15) = ( 0.0000000 0.0000000 0.2242747), wk = 0.0024876 k( 16) = ( 0.0000000 0.0000000 0.2402943), wk = 0.0024876 k( 17) = ( 0.0000000 0.0000000 0.2563139), wk = 0.0024876 k( 18) = ( 0.0000000 0.0000000 0.2723335), wk = 0.0024876 k( 19) = ( 0.0000000 0.0000000 0.2883532), wk = 0.0024876 k( 20) = ( 0.0000000 0.0000000 0.3043728), wk = 0.0024876 k( 21) = ( 0.0000000 0.0000000 0.3203924), wk = 0.0024876 k( 22) = ( 0.0000000 0.0000000 0.3364120), wk = 0.0024876 k( 23) = ( 0.0000000 0.0000000 0.3524317), wk = 0.0024876 k( 24) = ( 0.0000000 0.0000000 0.3684513), wk = 0.0024876 k( 25) = ( 0.0000000 0.0000000 0.3844709), wk = 0.0024876 k( 26) = ( 0.0000000 0.0000000 0.4004905), wk = 0.0024876 k( 27) = ( 0.0000000 0.0000000 0.4165102), wk = 0.0024876 k( 28) = ( 0.0000000 0.0000000 0.4325298), wk = 0.0024876 k( 29) = ( 0.0000000 0.0000000 0.4485494), wk = 0.0024876 k( 30) = ( 0.0000000 0.0000000 0.4645690), wk = 0.0024876 k( 31) = ( 0.0000000 0.0000000 0.4805886), wk = 0.0024876 k( 32) = ( 0.0000000 0.0000000 0.4966083), wk = 0.0024876 k( 33) = ( 0.0000000 0.0000000 0.5126279), wk = 0.0024876 k( 34) = ( 0.0000000 0.0000000 0.5286475), wk = 0.0024876 k( 35) = ( 0.0000000 0.0000000 0.5446671), wk = 0.0024876 k( 36) = ( 0.0000000 0.0000000 0.5606867), wk = 0.0024876 k( 37) = ( 0.0000000 0.0000000 0.5767064), wk = 0.0024876 k( 38) = ( 0.0000000 0.0000000 0.5927260), wk = 0.0024876 k( 39) = ( 0.0000000 0.0000000 0.6087456), wk = 0.0024876 k( 40) = ( 0.0000000 0.0000000 0.6247652), wk = 0.0024876 k( 41) = ( 0.0000000 0.0000000 0.6407848), wk = 0.0024876 k( 42) = ( 0.0000000 0.0000000 0.6568045), wk = 0.0024876 k( 43) = ( 0.0000000 0.0000000 0.6728241), wk = 0.0024876 k( 44) = ( 0.0000000 0.0000000 0.6888437), wk = 0.0024876 k( 45) = ( 0.0000000 0.0000000 0.7048633), wk = 0.0024876 k( 46) = ( 0.0000000 0.0000000 0.7208830), wk = 0.0024876 k( 47) = ( 0.0000000 0.0000000 0.7369026), wk = 0.0024876 k( 48) = ( 0.0000000 0.0000000 0.7529222), wk = 0.0024876 k( 49) = ( 0.0000000 0.0000000 0.7689418), wk = 0.0024876 k( 50) = ( 0.0000000 0.0000000 0.7849614), wk = 0.0024876 k( 51) = ( 0.0000000 0.0000000 0.8009811), wk = 0.0024876 k( 52) = ( 0.0000000 0.0000000 0.8170007), wk = 0.0024876 k( 53) = ( 0.0000000 0.0000000 0.8330203), wk = 0.0024876 k( 54) = ( 0.0000000 0.0000000 0.8490399), wk = 0.0024876 k( 55) = ( 0.0000000 0.0000000 0.8650595), wk = 0.0024876 k( 56) = ( 0.0000000 0.0000000 0.8810792), wk = 0.0024876 k( 57) = ( 0.0000000 0.0000000 0.8970988), wk = 0.0024876 k( 58) = ( 0.0000000 0.0000000 0.9131184), wk = 0.0024876 k( 59) = ( 0.0000000 0.0000000 0.9291380), wk = 0.0024876 k( 60) = ( 0.0000000 0.0000000 0.9451576), wk = 0.0024876 k( 61) = ( 0.0000000 0.0000000 0.9611773), wk = 0.0024876 k( 62) = ( 0.0000000 0.0000000 0.9771969), wk = 0.0024876 k( 63) = ( 0.0000000 0.0000000 0.9932165), wk = 0.0024876 k( 64) = ( 0.0000000 0.0000000 1.0092361), wk = 0.0024876 k( 65) = ( 0.0000000 0.0000000 1.0092361), wk = 0.0024876 k( 66) = ( -0.0073928 0.0129622 1.0092361), wk = 0.0024876 k( 67) = ( -0.0147857 0.0259244 1.0092361), wk = 0.0024876 k( 68) = ( -0.0221785 0.0388866 1.0092361), wk = 0.0024876 k( 69) = ( -0.0295713 0.0518488 1.0092361), wk = 0.0024876 k( 70) = ( -0.0369642 0.0648111 1.0092361), wk = 0.0024876 k( 71) = ( -0.0443570 0.0777733 1.0092361), wk = 0.0024876 k( 72) = ( -0.0517498 0.0907355 1.0092361), wk = 0.0024876 k( 73) = ( -0.0591427 0.1036977 1.0092361), wk = 0.0024876 k( 74) = ( -0.0665355 0.1166599 1.0092361), wk = 0.0024876 k( 75) = ( -0.0739283 0.1296221 1.0092361), wk = 0.0024876 k( 76) = ( -0.0813212 0.1425843 1.0092361), wk = 0.0024876 k( 77) = ( -0.0813212 0.1425843 1.0092361), wk = 0.0024876 k( 78) = ( -0.0869790 0.1525045 0.9978160), wk = 0.0024876 k( 79) = ( -0.0926368 0.1624246 0.9863958), wk = 0.0024876 k( 80) = ( -0.0982946 0.1723447 0.9749756), wk = 0.0024876 k( 81) = ( -0.1039525 0.1822649 0.9635555), wk = 0.0024876 k( 82) = ( -0.1096103 0.1921850 0.9521353), wk = 0.0024876 k( 83) = ( -0.1152681 0.2021051 0.9407152), wk = 0.0024876 k( 84) = ( -0.1209259 0.2120253 0.9292950), wk = 0.0024876 k( 85) = ( -0.1265837 0.2219454 0.9178749), wk = 0.0024876 k( 86) = ( -0.1322416 0.2318655 0.9064547), wk = 0.0024876 k( 87) = ( -0.1378994 0.2417857 0.8950346), wk = 0.0024876 k( 88) = ( -0.1435572 0.2517058 0.8836144), wk = 0.0024876 k( 89) = ( -0.1492150 0.2616259 0.8721943), wk = 0.0024876 k( 90) = ( -0.1548729 0.2715461 0.8607741), wk = 0.0024876 k( 91) = ( -0.1605307 0.2814662 0.8493539), wk = 0.0024876 k( 92) = ( -0.1661885 0.2913863 0.8379338), wk = 0.0024876 k( 93) = ( -0.1718463 0.3013065 0.8265136), wk = 0.0024876 k( 94) = ( -0.1775041 0.3112266 0.8150935), wk = 0.0024876 k( 95) = ( -0.1831620 0.3211467 0.8036733), wk = 0.0024876 k( 96) = ( -0.1888198 0.3310669 0.7922531), wk = 0.0024876 k( 97) = ( -0.1944776 0.3409870 0.7808330), wk = 0.0024876 k( 98) = ( -0.2001354 0.3509071 0.7694128), wk = 0.0024876 k( 99) = ( -0.2057933 0.3608272 0.7579927), wk = 0.0024876 k( 100) = ( -0.2114511 0.3707474 0.7465725), wk = 0.0024876 k( 101) = ( -0.2171089 0.3806675 0.7351524), wk = 0.0024876 k( 102) = ( -0.2227667 0.3905876 0.7237322), wk = 0.0024876 k( 103) = ( -0.2284245 0.4005078 0.7123121), wk = 0.0024876 k( 104) = ( -0.2340824 0.4104279 0.7008919), wk = 0.0024876 k( 105) = ( -0.2397402 0.4203481 0.6894717), wk = 0.0024876 k( 106) = ( -0.2453980 0.4302682 0.6780516), wk = 0.0024876 k( 107) = ( -0.2510558 0.4401883 0.6666314), wk = 0.0024876 k( 108) = ( -0.2567137 0.4501084 0.6552113), wk = 0.0024876 k( 109) = ( -0.2623715 0.4600286 0.6437911), wk = 0.0024876 k( 110) = ( -0.2680293 0.4699487 0.6323709), wk = 0.0024876 k( 111) = ( -0.2736871 0.4798688 0.6209508), wk = 0.0024876 k( 112) = ( -0.2793449 0.4897890 0.6095306), wk = 0.0024876 k( 113) = ( -0.2850028 0.4997091 0.5981105), wk = 0.0024876 k( 114) = ( -0.2906606 0.5096292 0.5866903), wk = 0.0024876 k( 115) = ( -0.2906606 0.5096292 0.5866903), wk = 0.0024876 k( 116) = ( -0.2850710 0.4998287 0.5754078), wk = 0.0024876 k( 117) = ( -0.2794813 0.4900281 0.5641253), wk = 0.0024876 k( 118) = ( -0.2738917 0.4802276 0.5528428), wk = 0.0024876 k( 119) = ( -0.2683021 0.4704270 0.5415603), wk = 0.0024876 k( 120) = ( -0.2627124 0.4606264 0.5302778), wk = 0.0024876 k( 121) = ( -0.2571228 0.4508259 0.5189953), wk = 0.0024876 k( 122) = ( -0.2515332 0.4410253 0.5077128), wk = 0.0024876 k( 123) = ( -0.2459436 0.4312247 0.4964303), wk = 0.0024876 k( 124) = ( -0.2403540 0.4214242 0.4851478), wk = 0.0024876 k( 125) = ( -0.2347643 0.4116236 0.4738653), wk = 0.0024876 k( 126) = ( -0.2291747 0.4018231 0.4625828), wk = 0.0024876 k( 127) = ( -0.2235851 0.3920225 0.4513003), wk = 0.0024876 k( 128) = ( -0.2179954 0.3822219 0.4400177), wk = 0.0024876 k( 129) = ( -0.2124058 0.3724214 0.4287352), wk = 0.0024876 k( 130) = ( -0.2068162 0.3626208 0.4174527), wk = 0.0024876 k( 131) = ( -0.2012266 0.3528202 0.4061702), wk = 0.0024876 k( 132) = ( -0.1956369 0.3430197 0.3948877), wk = 0.0024876 k( 133) = ( -0.1900473 0.3332191 0.3836052), wk = 0.0024876 k( 134) = ( -0.1844577 0.3234186 0.3723227), wk = 0.0024876 k( 135) = ( -0.1788681 0.3136180 0.3610402), wk = 0.0024876 k( 136) = ( -0.1732784 0.3038174 0.3497577), wk = 0.0024876 k( 137) = ( -0.1676888 0.2940169 0.3384752), wk = 0.0024876 k( 138) = ( -0.1620992 0.2842163 0.3271927), wk = 0.0024876 k( 139) = ( -0.1565095 0.2744158 0.3159102), wk = 0.0024876 k( 140) = ( -0.1509199 0.2646152 0.3046277), wk = 0.0024876 k( 141) = ( -0.1453303 0.2548146 0.2933452), wk = 0.0024876 k( 142) = ( -0.1397407 0.2450141 0.2820627), wk = 0.0024876 k( 143) = ( -0.1341510 0.2352135 0.2707802), wk = 0.0024876 k( 144) = ( -0.1285614 0.2254129 0.2594976), wk = 0.0024876 k( 145) = ( -0.1229718 0.2156124 0.2482151), wk = 0.0024876 k( 146) = ( -0.1173822 0.2058118 0.2369326), wk = 0.0024876 k( 147) = ( -0.1117925 0.1960112 0.2256501), wk = 0.0024876 k( 148) = ( -0.1062029 0.1862107 0.2143676), wk = 0.0024876 k( 149) = ( -0.1006133 0.1764101 0.2030851), wk = 0.0024876 k( 150) = ( -0.0950237 0.1666096 0.1918026), wk = 0.0024876 k( 151) = ( -0.0894340 0.1568090 0.1805201), wk = 0.0024876 k( 152) = ( -0.0838444 0.1470084 0.1692376), wk = 0.0024876 k( 153) = ( -0.0782548 0.1372079 0.1579551), wk = 0.0024876 k( 154) = ( -0.0726651 0.1274073 0.1466726), wk = 0.0024876 k( 155) = ( -0.0670755 0.1176067 0.1353901), wk = 0.0024876 k( 156) = ( -0.0614859 0.1078062 0.1241076), wk = 0.0024876 k( 157) = ( -0.0558963 0.0980056 0.1128251), wk = 0.0024876 k( 158) = ( -0.0503066 0.0882051 0.1015426), wk = 0.0024876 k( 159) = ( -0.0447170 0.0784045 0.0902600), wk = 0.0024876 k( 160) = ( -0.0391274 0.0686039 0.0789776), wk = 0.0024876 k( 161) = ( -0.0335378 0.0588034 0.0676950), wk = 0.0024876 k( 162) = ( -0.0279481 0.0490028 0.0564125), wk = 0.0024876 k( 163) = ( -0.0223585 0.0392023 0.0451300), wk = 0.0024876 k( 164) = ( -0.0167689 0.0294017 0.0338475), wk = 0.0024876 k( 165) = ( -0.0111792 0.0196011 0.0225650), wk = 0.0024876 k( 166) = ( -0.0055896 0.0098006 0.0112825), wk = 0.0024876 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 169) = ( 0.0138889 0.0079214 -0.0000000), wk = 0.0024876 k( 170) = ( 0.0277778 0.0158427 -0.0000000), wk = 0.0024876 k( 171) = ( 0.0416667 0.0237641 -0.0000000), wk = 0.0024876 k( 172) = ( 0.0555556 0.0316854 -0.0000000), wk = 0.0024876 k( 173) = ( 0.0694444 0.0396068 -0.0000000), wk = 0.0024876 k( 174) = ( 0.0833333 0.0475281 -0.0000000), wk = 0.0024876 k( 175) = ( 0.0972222 0.0554495 -0.0000000), wk = 0.0024876 k( 176) = ( 0.1111111 0.0633708 -0.0000000), wk = 0.0024876 k( 177) = ( 0.1250000 0.0712922 0.0000000), wk = 0.0024876 k( 178) = ( 0.1388889 0.0792135 -0.0000000), wk = 0.0024876 k( 179) = ( 0.1527778 0.0871349 -0.0000000), wk = 0.0024876 k( 180) = ( 0.1666667 0.0950562 -0.0000000), wk = 0.0024876 k( 181) = ( 0.1805556 0.1029776 -0.0000000), wk = 0.0024876 k( 182) = ( 0.1944444 0.1108989 -0.0000000), wk = 0.0024876 k( 183) = ( 0.2083333 0.1188203 -0.0000000), wk = 0.0024876 k( 184) = ( 0.2222222 0.1267416 -0.0000000), wk = 0.0024876 k( 185) = ( 0.2361111 0.1346630 -0.0000000), wk = 0.0024876 k( 186) = ( 0.2500000 0.1425843 0.0000000), wk = 0.0024876 k( 187) = ( 0.2638889 0.1505057 -0.0000000), wk = 0.0024876 k( 188) = ( 0.2777778 0.1584270 -0.0000000), wk = 0.0024876 k( 189) = ( 0.2916667 0.1663484 -0.0000000), wk = 0.0024876 k( 190) = ( 0.3055556 0.1742697 -0.0000000), wk = 0.0024876 k( 191) = ( 0.3194444 0.1821911 -0.0000000), wk = 0.0024876 k( 192) = ( 0.3333333 0.1901124 -0.0000000), wk = 0.0024876 k( 193) = ( 0.3472222 0.1980338 -0.0000000), wk = 0.0024876 k( 194) = ( 0.3611111 0.2059551 -0.0000000), wk = 0.0024876 k( 195) = ( 0.3750000 0.2138765 -0.0000000), wk = 0.0024876 k( 196) = ( 0.3888889 0.2217979 -0.0000000), wk = 0.0024876 k( 197) = ( 0.4027778 0.2297192 -0.0000000), wk = 0.0024876 k( 198) = ( 0.4166667 0.2376406 -0.0000000), wk = 0.0024876 k( 199) = ( 0.4305556 0.2455619 -0.0000000), wk = 0.0024876 k( 200) = ( 0.4444444 0.2534833 -0.0000000), wk = 0.0024876 k( 201) = ( 0.4583333 0.2614046 -0.0000000), wk = 0.0024876 k( 202) = ( 0.4722222 0.2693260 -0.0000000), wk = 0.0024876 k( 203) = ( 0.4861111 0.2772473 -0.0000000), wk = 0.0024876 k( 204) = ( 0.5000000 0.2851687 0.0000000), wk = 0.0024876 k( 205) = ( 0.5000000 0.2851687 0.0000000), wk = 0.0024876 k( 206) = ( 0.4943422 0.2950888 0.0114202), wk = 0.0024876 k( 207) = ( 0.4886844 0.3050089 0.0228403), wk = 0.0024876 k( 208) = ( 0.4830265 0.3149291 0.0342605), wk = 0.0024876 k( 209) = ( 0.4773687 0.3248492 0.0456806), wk = 0.0024876 k( 210) = ( 0.4717109 0.3347693 0.0571008), wk = 0.0024876 k( 211) = ( 0.4660531 0.3446895 0.0685209), wk = 0.0024876 k( 212) = ( 0.4603952 0.3546096 0.0799411), wk = 0.0024876 k( 213) = ( 0.4547374 0.3645297 0.0913613), wk = 0.0024876 k( 214) = ( 0.4490796 0.3744499 0.1027814), wk = 0.0024876 k( 215) = ( 0.4434218 0.3843700 0.1142016), wk = 0.0024876 k( 216) = ( 0.4377640 0.3942901 0.1256217), wk = 0.0024876 k( 217) = ( 0.4321061 0.4042103 0.1370419), wk = 0.0024876 k( 218) = ( 0.4264483 0.4141304 0.1484620), wk = 0.0024876 k( 219) = ( 0.4207905 0.4240505 0.1598822), wk = 0.0024876 k( 220) = ( 0.4151327 0.4339707 0.1713024), wk = 0.0024876 k( 221) = ( 0.4094749 0.4438908 0.1827225), wk = 0.0024876 k( 222) = ( 0.4038170 0.4538109 0.1941427), wk = 0.0024876 k( 223) = ( 0.3981592 0.4637311 0.2055628), wk = 0.0024876 k( 224) = ( 0.3925014 0.4736512 0.2169830), wk = 0.0024876 k( 225) = ( 0.3868436 0.4835713 0.2284031), wk = 0.0024876 k( 226) = ( 0.3811857 0.4934914 0.2398233), wk = 0.0024876 k( 227) = ( 0.3755279 0.5034116 0.2512434), wk = 0.0024876 k( 228) = ( 0.3698701 0.5133317 0.2626636), wk = 0.0024876 k( 229) = ( 0.3642123 0.5232519 0.2740838), wk = 0.0024876 k( 230) = ( 0.3585545 0.5331720 0.2855039), wk = 0.0024876 k( 231) = ( 0.3528966 0.5430921 0.2969241), wk = 0.0024876 k( 232) = ( 0.3472388 0.5530122 0.3083442), wk = 0.0024876 k( 233) = ( 0.3415810 0.5629324 0.3197644), wk = 0.0024876 k( 234) = ( 0.3359232 0.5728525 0.3311845), wk = 0.0024876 k( 235) = ( 0.3302653 0.5827726 0.3426047), wk = 0.0024876 k( 236) = ( 0.3246075 0.5926928 0.3540249), wk = 0.0024876 k( 237) = ( 0.3189497 0.6026129 0.3654450), wk = 0.0024876 k( 238) = ( 0.3132919 0.6125331 0.3768652), wk = 0.0024876 k( 239) = ( 0.3076340 0.6224532 0.3882853), wk = 0.0024876 k( 240) = ( 0.3019762 0.6323733 0.3997055), wk = 0.0024876 k( 241) = ( 0.2963184 0.6422934 0.4111256), wk = 0.0024876 k( 242) = ( 0.2906606 0.6522136 0.4225458), wk = 0.0024876 k( 243) = ( 0.2906606 0.6522136 0.4225458), wk = 0.0024876 k( 244) = ( 0.2761276 0.6486490 0.4266494), wk = 0.0024876 k( 245) = ( 0.2615945 0.6450844 0.4307530), wk = 0.0024876 k( 246) = ( 0.2470615 0.6415197 0.4348566), wk = 0.0024876 k( 247) = ( 0.2325285 0.6379551 0.4389602), wk = 0.0024876 k( 248) = ( 0.2179954 0.6343905 0.4430639), wk = 0.0024876 k( 249) = ( 0.2034624 0.6308259 0.4471675), wk = 0.0024876 k( 250) = ( 0.1889294 0.6272613 0.4512711), wk = 0.0024876 k( 251) = ( 0.1743964 0.6236967 0.4553747), wk = 0.0024876 k( 252) = ( 0.1598633 0.6201321 0.4594783), wk = 0.0024876 k( 253) = ( 0.1453303 0.6165675 0.4635819), wk = 0.0024876 k( 254) = ( 0.1307973 0.6130029 0.4676856), wk = 0.0024876 k( 255) = ( 0.1162642 0.6094383 0.4717892), wk = 0.0024876 k( 256) = ( 0.1017312 0.6058737 0.4758928), wk = 0.0024876 k( 257) = ( 0.0871982 0.6023091 0.4799964), wk = 0.0024876 k( 258) = ( 0.0726651 0.5987444 0.4841000), wk = 0.0024876 k( 259) = ( 0.0581321 0.5951798 0.4882036), wk = 0.0024876 k( 260) = ( 0.0435991 0.5916152 0.4923072), wk = 0.0024876 k( 261) = ( 0.0290661 0.5880506 0.4964108), wk = 0.0024876 k( 262) = ( 0.0145330 0.5844860 0.5005144), wk = 0.0024876 k( 263) = ( 0.0000000 0.5809214 0.5046181), wk = 0.0024876 k( 264) = ( 0.0000000 0.5809214 0.5046181), wk = 0.0024876 k( 265) = ( 0.0056818 0.5709592 0.5160867), wk = 0.0024876 k( 266) = ( 0.0113636 0.5609970 0.5275553), wk = 0.0024876 k( 267) = ( 0.0170455 0.5510348 0.5390238), wk = 0.0024876 k( 268) = ( 0.0227273 0.5410726 0.5504924), wk = 0.0024876 k( 269) = ( 0.0284091 0.5311104 0.5619610), wk = 0.0024876 k( 270) = ( 0.0340909 0.5211482 0.5734296), wk = 0.0024876 k( 271) = ( 0.0397727 0.5111860 0.5848982), wk = 0.0024876 k( 272) = ( 0.0454546 0.5012238 0.5963668), wk = 0.0024876 k( 273) = ( 0.0511364 0.4912616 0.6078354), wk = 0.0024876 k( 274) = ( 0.0568182 0.4812993 0.6193040), wk = 0.0024876 k( 275) = ( 0.0625000 0.4713371 0.6307726), wk = 0.0024876 k( 276) = ( 0.0681818 0.4613749 0.6422412), wk = 0.0024876 k( 277) = ( 0.0738636 0.4514127 0.6537098), wk = 0.0024876 k( 278) = ( 0.0795455 0.4414505 0.6651783), wk = 0.0024876 k( 279) = ( 0.0852273 0.4314883 0.6766469), wk = 0.0024876 k( 280) = ( 0.0909091 0.4215261 0.6881155), wk = 0.0024876 k( 281) = ( 0.0965909 0.4115639 0.6995841), wk = 0.0024876 k( 282) = ( 0.1022727 0.4016017 0.7110527), wk = 0.0024876 k( 283) = ( 0.1079545 0.3916395 0.7225213), wk = 0.0024876 k( 284) = ( 0.1136364 0.3816773 0.7339899), wk = 0.0024876 k( 285) = ( 0.1193182 0.3717151 0.7454585), wk = 0.0024876 k( 286) = ( 0.1250000 0.3617529 0.7569271), wk = 0.0024876 k( 287) = ( 0.1306818 0.3517907 0.7683957), wk = 0.0024876 k( 288) = ( 0.1363636 0.3418285 0.7798643), wk = 0.0024876 k( 289) = ( 0.1420454 0.3318663 0.7913329), wk = 0.0024876 k( 290) = ( 0.1477273 0.3219041 0.8028015), wk = 0.0024876 k( 291) = ( 0.1534091 0.3119418 0.8142701), wk = 0.0024876 k( 292) = ( 0.1590909 0.3019796 0.8257387), wk = 0.0024876 k( 293) = ( 0.1647727 0.2920174 0.8372072), wk = 0.0024876 k( 294) = ( 0.1704546 0.2820552 0.8486758), wk = 0.0024876 k( 295) = ( 0.1761364 0.2720930 0.8601444), wk = 0.0024876 k( 296) = ( 0.1818182 0.2621308 0.8716130), wk = 0.0024876 k( 297) = ( 0.1875000 0.2521686 0.8830816), wk = 0.0024876 k( 298) = ( 0.1931818 0.2422064 0.8945502), wk = 0.0024876 k( 299) = ( 0.1988636 0.2322442 0.9060188), wk = 0.0024876 k( 300) = ( 0.2045454 0.2222820 0.9174874), wk = 0.0024876 k( 301) = ( 0.2102273 0.2123198 0.9289560), wk = 0.0024876 k( 302) = ( 0.2159091 0.2023576 0.9404246), wk = 0.0024876 k( 303) = ( 0.2215909 0.1923954 0.9518932), wk = 0.0024876 k( 304) = ( 0.2272727 0.1824332 0.9633618), wk = 0.0024876 k( 305) = ( 0.2329546 0.1724709 0.9748304), wk = 0.0024876 k( 306) = ( 0.2386364 0.1625088 0.9862989), wk = 0.0024876 k( 307) = ( 0.2443182 0.1525465 0.9977675), wk = 0.0024876 k( 308) = ( 0.2500000 0.1425843 1.0092361), wk = 0.0024876 k( 309) = ( 0.2500000 0.1425843 1.0092361), wk = 0.0024876 k( 310) = ( 0.2619048 0.1493741 1.0014197), wk = 0.0024876 k( 311) = ( 0.2738095 0.1561638 0.9936033), wk = 0.0024876 k( 312) = ( 0.2857143 0.1629535 0.9857869), wk = 0.0024876 k( 313) = ( 0.2976190 0.1697433 0.9779705), wk = 0.0024876 k( 314) = ( 0.3095238 0.1765330 0.9701541), wk = 0.0024876 k( 315) = ( 0.3214286 0.1833227 0.9623377), wk = 0.0024876 k( 316) = ( 0.3333333 0.1901124 0.9545213), wk = 0.0024876 k( 317) = ( 0.3452381 0.1969022 0.9467049), wk = 0.0024876 k( 318) = ( 0.3571429 0.2036919 0.9388885), wk = 0.0024876 k( 319) = ( 0.3690476 0.2104816 0.9310721), wk = 0.0024876 k( 320) = ( 0.3809524 0.2172714 0.9232557), wk = 0.0024876 k( 321) = ( 0.3928571 0.2240611 0.9154393), wk = 0.0024876 k( 322) = ( 0.4047619 0.2308508 0.9076228), wk = 0.0024876 k( 323) = ( 0.4166667 0.2376406 0.8998065), wk = 0.0024876 k( 324) = ( 0.4285714 0.2444303 0.8919900), wk = 0.0024876 k( 325) = ( 0.4404762 0.2512200 0.8841736), wk = 0.0024876 k( 326) = ( 0.4523810 0.2580097 0.8763572), wk = 0.0024876 k( 327) = ( 0.4642857 0.2647995 0.8685408), wk = 0.0024876 k( 328) = ( 0.4761905 0.2715892 0.8607244), wk = 0.0024876 k( 329) = ( 0.4880952 0.2783789 0.8529080), wk = 0.0024876 k( 330) = ( 0.5000000 0.2851687 0.8450916), wk = 0.0024876 k( 331) = ( 0.5000000 0.2851687 0.8450916), wk = 0.0024876 k( 332) = ( 0.5000000 0.2851687 0.8288398), wk = 0.0024876 k( 333) = ( 0.5000000 0.2851687 0.8125881), wk = 0.0024876 k( 334) = ( 0.5000000 0.2851687 0.7963363), wk = 0.0024876 k( 335) = ( 0.5000000 0.2851687 0.7800846), wk = 0.0024876 k( 336) = ( 0.5000000 0.2851687 0.7638328), wk = 0.0024876 k( 337) = ( 0.5000000 0.2851687 0.7475810), wk = 0.0024876 k( 338) = ( 0.5000000 0.2851687 0.7313293), wk = 0.0024876 k( 339) = ( 0.5000000 0.2851687 0.7150775), wk = 0.0024876 k( 340) = ( 0.5000000 0.2851687 0.6988258), wk = 0.0024876 k( 341) = ( 0.5000000 0.2851687 0.6825740), wk = 0.0024876 k( 342) = ( 0.5000000 0.2851687 0.6663222), wk = 0.0024876 k( 343) = ( 0.5000000 0.2851687 0.6500705), wk = 0.0024876 k( 344) = ( 0.5000000 0.2851687 0.6338187), wk = 0.0024876 k( 345) = ( 0.5000000 0.2851687 0.6175669), wk = 0.0024876 k( 346) = ( 0.5000000 0.2851687 0.6013152), wk = 0.0024876 k( 347) = ( 0.5000000 0.2851687 0.5850634), wk = 0.0024876 k( 348) = ( 0.5000000 0.2851687 0.5688117), wk = 0.0024876 k( 349) = ( 0.5000000 0.2851687 0.5525599), wk = 0.0024876 k( 350) = ( 0.5000000 0.2851687 0.5363081), wk = 0.0024876 k( 351) = ( 0.5000000 0.2851687 0.5200564), wk = 0.0024876 k( 352) = ( 0.5000000 0.2851687 0.5038046), wk = 0.0024876 k( 353) = ( 0.5000000 0.2851687 0.4875528), wk = 0.0024876 k( 354) = ( 0.5000000 0.2851687 0.4713011), wk = 0.0024876 k( 355) = ( 0.5000000 0.2851687 0.4550493), wk = 0.0024876 k( 356) = ( 0.5000000 0.2851687 0.4387976), wk = 0.0024876 k( 357) = ( 0.5000000 0.2851687 0.4225458), wk = 0.0024876 k( 358) = ( 0.5000000 0.2851687 0.4062940), wk = 0.0024876 k( 359) = ( 0.5000000 0.2851687 0.3900423), wk = 0.0024876 k( 360) = ( 0.5000000 0.2851687 0.3737905), wk = 0.0024876 k( 361) = ( 0.5000000 0.2851687 0.3575388), wk = 0.0024876 k( 362) = ( 0.5000000 0.2851687 0.3412870), wk = 0.0024876 k( 363) = ( 0.5000000 0.2851687 0.3250352), wk = 0.0024876 k( 364) = ( 0.5000000 0.2851687 0.3087835), wk = 0.0024876 k( 365) = ( 0.5000000 0.2851687 0.2925317), wk = 0.0024876 k( 366) = ( 0.5000000 0.2851687 0.2762799), wk = 0.0024876 k( 367) = ( 0.5000000 0.2851687 0.2600282), wk = 0.0024876 k( 368) = ( 0.5000000 0.2851687 0.2437764), wk = 0.0024876 k( 369) = ( 0.5000000 0.2851687 0.2275247), wk = 0.0024876 k( 370) = ( 0.5000000 0.2851687 0.2112729), wk = 0.0024876 k( 371) = ( 0.5000000 0.2851687 0.1950211), wk = 0.0024876 k( 372) = ( 0.5000000 0.2851687 0.1787694), wk = 0.0024876 k( 373) = ( 0.5000000 0.2851687 0.1625176), wk = 0.0024876 k( 374) = ( 0.5000000 0.2851687 0.1462658), wk = 0.0024876 k( 375) = ( 0.5000000 0.2851687 0.1300141), wk = 0.0024876 k( 376) = ( 0.5000000 0.2851687 0.1137623), wk = 0.0024876 k( 377) = ( 0.5000000 0.2851687 0.0975106), wk = 0.0024876 k( 378) = ( 0.5000000 0.2851687 0.0812588), wk = 0.0024876 k( 379) = ( 0.5000000 0.2851687 0.0650070), wk = 0.0024876 k( 380) = ( 0.5000000 0.2851687 0.0487553), wk = 0.0024876 k( 381) = ( 0.5000000 0.2851687 0.0325035), wk = 0.0024876 k( 382) = ( 0.5000000 0.2851687 0.0162518), wk = 0.0024876 k( 383) = ( 0.5000000 0.2851687 0.0000000), wk = 0.0024876 k( 384) = ( 0.0000000 0.0000000 1.0092361), wk = 0.0024876 k( 385) = ( 0.0138889 0.0079214 1.0092361), wk = 0.0024876 k( 386) = ( 0.0277778 0.0158427 1.0092361), wk = 0.0024876 k( 387) = ( 0.0416667 0.0237641 1.0092361), wk = 0.0024876 k( 388) = ( 0.0555556 0.0316854 1.0092361), wk = 0.0024876 k( 389) = ( 0.0694444 0.0396068 1.0092361), wk = 0.0024876 k( 390) = ( 0.0833333 0.0475281 1.0092361), wk = 0.0024876 k( 391) = ( 0.0972222 0.0554495 1.0092361), wk = 0.0024876 k( 392) = ( 0.1111111 0.0633708 1.0092361), wk = 0.0024876 k( 393) = ( 0.1250000 0.0712922 1.0092361), wk = 0.0024876 k( 394) = ( 0.1388889 0.0792135 1.0092361), wk = 0.0024876 k( 395) = ( 0.1527778 0.0871349 1.0092361), wk = 0.0024876 k( 396) = ( 0.1666667 0.0950562 1.0092361), wk = 0.0024876 k( 397) = ( 0.1805556 0.1029776 1.0092361), wk = 0.0024876 k( 398) = ( 0.1944444 0.1108989 1.0092361), wk = 0.0024876 k( 399) = ( 0.2083333 0.1188203 1.0092361), wk = 0.0024876 k( 400) = ( 0.2222222 0.1267416 1.0092361), wk = 0.0024876 k( 401) = ( 0.2361111 0.1346630 1.0092361), wk = 0.0024876 k( 402) = ( 0.2500000 0.1425843 1.0092361), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0000000 0.0000000 0.0079365), wk = 0.0024876 k( 3) = ( 0.0000000 0.0000000 0.0158730), wk = 0.0024876 k( 4) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0024876 k( 5) = ( 0.0000000 0.0000000 0.0317460), wk = 0.0024876 k( 6) = ( 0.0000000 0.0000000 0.0396825), wk = 0.0024876 k( 7) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0024876 k( 8) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024876 k( 9) = ( 0.0000000 0.0000000 0.0634921), wk = 0.0024876 k( 10) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024876 k( 11) = ( 0.0000000 0.0000000 0.0793651), wk = 0.0024876 k( 12) = ( 0.0000000 0.0000000 0.0873016), wk = 0.0024876 k( 13) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0024876 k( 14) = ( 0.0000000 0.0000000 0.1031746), wk = 0.0024876 k( 15) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024876 k( 16) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0024876 k( 17) = ( 0.0000000 0.0000000 0.1269841), wk = 0.0024876 k( 18) = ( 0.0000000 0.0000000 0.1349206), wk = 0.0024876 k( 19) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024876 k( 20) = ( 0.0000000 0.0000000 0.1507937), wk = 0.0024876 k( 21) = ( 0.0000000 0.0000000 0.1587302), wk = 0.0024876 k( 22) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024876 k( 23) = ( 0.0000000 0.0000000 0.1746032), wk = 0.0024876 k( 24) = ( 0.0000000 0.0000000 0.1825397), wk = 0.0024876 k( 25) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0024876 k( 26) = ( 0.0000000 0.0000000 0.1984127), wk = 0.0024876 k( 27) = ( 0.0000000 0.0000000 0.2063492), wk = 0.0024876 k( 28) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024876 k( 29) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024876 k( 30) = ( 0.0000000 0.0000000 0.2301587), wk = 0.0024876 k( 31) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0024876 k( 32) = ( 0.0000000 0.0000000 0.2460317), wk = 0.0024876 k( 33) = ( 0.0000000 0.0000000 0.2539682), wk = 0.0024876 k( 34) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0024876 k( 35) = ( 0.0000000 0.0000000 0.2698413), wk = 0.0024876 k( 36) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024876 k( 37) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024876 k( 38) = ( 0.0000000 0.0000000 0.2936508), wk = 0.0024876 k( 39) = ( 0.0000000 0.0000000 0.3015873), wk = 0.0024876 k( 40) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0024876 k( 41) = ( 0.0000000 0.0000000 0.3174603), wk = 0.0024876 k( 42) = ( 0.0000000 0.0000000 0.3253968), wk = 0.0024876 k( 43) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024876 k( 44) = ( 0.0000000 0.0000000 0.3412698), wk = 0.0024876 k( 45) = ( 0.0000000 0.0000000 0.3492063), wk = 0.0024876 k( 46) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024876 k( 47) = ( 0.0000000 0.0000000 0.3650794), wk = 0.0024876 k( 48) = ( 0.0000000 0.0000000 0.3730159), wk = 0.0024876 k( 49) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0024876 k( 50) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024876 k( 51) = ( 0.0000000 0.0000000 0.3968254), wk = 0.0024876 k( 52) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0024876 k( 53) = ( 0.0000000 0.0000000 0.4126984), wk = 0.0024876 k( 54) = ( 0.0000000 0.0000000 0.4206349), wk = 0.0024876 k( 55) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024876 k( 56) = ( 0.0000000 0.0000000 0.4365079), wk = 0.0024876 k( 57) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024876 k( 58) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0024876 k( 59) = ( 0.0000000 0.0000000 0.4603175), wk = 0.0024876 k( 60) = ( 0.0000000 0.0000000 0.4682540), wk = 0.0024876 k( 61) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0024876 k( 62) = ( 0.0000000 0.0000000 0.4841270), wk = 0.0024876 k( 63) = ( 0.0000000 0.0000000 0.4920635), wk = 0.0024876 k( 64) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 65) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 66) = ( -0.0073928 0.0073928 0.5000000), wk = 0.0024876 k( 67) = ( -0.0147857 0.0147857 0.5000000), wk = 0.0024876 k( 68) = ( -0.0221785 0.0221785 0.5000000), wk = 0.0024876 k( 69) = ( -0.0295713 0.0295713 0.5000000), wk = 0.0024876 k( 70) = ( -0.0369642 0.0369642 0.5000000), wk = 0.0024876 k( 71) = ( -0.0443570 0.0443570 0.5000000), wk = 0.0024876 k( 72) = ( -0.0517498 0.0517498 0.5000000), wk = 0.0024876 k( 73) = ( -0.0591427 0.0591427 0.5000000), wk = 0.0024876 k( 74) = ( -0.0665355 0.0665355 0.5000000), wk = 0.0024876 k( 75) = ( -0.0739283 0.0739283 0.5000000), wk = 0.0024876 k( 76) = ( -0.0813212 0.0813212 0.5000000), wk = 0.0024876 k( 77) = ( -0.0813212 0.0813212 0.5000000), wk = 0.0024876 k( 78) = ( -0.0869790 0.0869790 0.4943422), wk = 0.0024876 k( 79) = ( -0.0926368 0.0926368 0.4886844), wk = 0.0024876 k( 80) = ( -0.0982946 0.0982946 0.4830265), wk = 0.0024876 k( 81) = ( -0.1039525 0.1039525 0.4773687), wk = 0.0024876 k( 82) = ( -0.1096103 0.1096103 0.4717109), wk = 0.0024876 k( 83) = ( -0.1152681 0.1152681 0.4660531), wk = 0.0024876 k( 84) = ( -0.1209259 0.1209259 0.4603952), wk = 0.0024876 k( 85) = ( -0.1265837 0.1265837 0.4547374), wk = 0.0024876 k( 86) = ( -0.1322416 0.1322416 0.4490796), wk = 0.0024876 k( 87) = ( -0.1378994 0.1378994 0.4434218), wk = 0.0024876 k( 88) = ( -0.1435572 0.1435572 0.4377640), wk = 0.0024876 k( 89) = ( -0.1492150 0.1492150 0.4321061), wk = 0.0024876 k( 90) = ( -0.1548729 0.1548729 0.4264483), wk = 0.0024876 k( 91) = ( -0.1605307 0.1605307 0.4207905), wk = 0.0024876 k( 92) = ( -0.1661885 0.1661885 0.4151327), wk = 0.0024876 k( 93) = ( -0.1718463 0.1718463 0.4094749), wk = 0.0024876 k( 94) = ( -0.1775041 0.1775041 0.4038170), wk = 0.0024876 k( 95) = ( -0.1831620 0.1831620 0.3981592), wk = 0.0024876 k( 96) = ( -0.1888198 0.1888198 0.3925014), wk = 0.0024876 k( 97) = ( -0.1944776 0.1944776 0.3868436), wk = 0.0024876 k( 98) = ( -0.2001354 0.2001354 0.3811857), wk = 0.0024876 k( 99) = ( -0.2057933 0.2057933 0.3755279), wk = 0.0024876 k( 100) = ( -0.2114511 0.2114511 0.3698701), wk = 0.0024876 k( 101) = ( -0.2171089 0.2171089 0.3642123), wk = 0.0024876 k( 102) = ( -0.2227667 0.2227667 0.3585544), wk = 0.0024876 k( 103) = ( -0.2284245 0.2284245 0.3528966), wk = 0.0024876 k( 104) = ( -0.2340824 0.2340824 0.3472388), wk = 0.0024876 k( 105) = ( -0.2397402 0.2397402 0.3415810), wk = 0.0024876 k( 106) = ( -0.2453980 0.2453980 0.3359232), wk = 0.0024876 k( 107) = ( -0.2510558 0.2510558 0.3302653), wk = 0.0024876 k( 108) = ( -0.2567137 0.2567137 0.3246075), wk = 0.0024876 k( 109) = ( -0.2623715 0.2623715 0.3189497), wk = 0.0024876 k( 110) = ( -0.2680293 0.2680293 0.3132919), wk = 0.0024876 k( 111) = ( -0.2736871 0.2736871 0.3076340), wk = 0.0024876 k( 112) = ( -0.2793449 0.2793449 0.3019762), wk = 0.0024876 k( 113) = ( -0.2850028 0.2850028 0.2963184), wk = 0.0024876 k( 114) = ( -0.2906606 0.2906606 0.2906606), wk = 0.0024876 k( 115) = ( -0.2906606 0.2906606 0.2906606), wk = 0.0024876 k( 116) = ( -0.2850710 0.2850710 0.2850710), wk = 0.0024876 k( 117) = ( -0.2794813 0.2794813 0.2794813), wk = 0.0024876 k( 118) = ( -0.2738917 0.2738917 0.2738917), wk = 0.0024876 k( 119) = ( -0.2683021 0.2683021 0.2683021), wk = 0.0024876 k( 120) = ( -0.2627124 0.2627124 0.2627124), wk = 0.0024876 k( 121) = ( -0.2571228 0.2571228 0.2571228), wk = 0.0024876 k( 122) = ( -0.2515332 0.2515332 0.2515332), wk = 0.0024876 k( 123) = ( -0.2459436 0.2459436 0.2459436), wk = 0.0024876 k( 124) = ( -0.2403540 0.2403539 0.2403540), wk = 0.0024876 k( 125) = ( -0.2347643 0.2347643 0.2347643), wk = 0.0024876 k( 126) = ( -0.2291747 0.2291747 0.2291747), wk = 0.0024876 k( 127) = ( -0.2235851 0.2235851 0.2235851), wk = 0.0024876 k( 128) = ( -0.2179954 0.2179954 0.2179954), wk = 0.0024876 k( 129) = ( -0.2124058 0.2124058 0.2124058), wk = 0.0024876 k( 130) = ( -0.2068162 0.2068162 0.2068162), wk = 0.0024876 k( 131) = ( -0.2012266 0.2012266 0.2012266), wk = 0.0024876 k( 132) = ( -0.1956369 0.1956369 0.1956369), wk = 0.0024876 k( 133) = ( -0.1900473 0.1900473 0.1900473), wk = 0.0024876 k( 134) = ( -0.1844577 0.1844577 0.1844577), wk = 0.0024876 k( 135) = ( -0.1788681 0.1788681 0.1788681), wk = 0.0024876 k( 136) = ( -0.1732784 0.1732784 0.1732784), wk = 0.0024876 k( 137) = ( -0.1676888 0.1676888 0.1676888), wk = 0.0024876 k( 138) = ( -0.1620992 0.1620992 0.1620992), wk = 0.0024876 k( 139) = ( -0.1565095 0.1565095 0.1565095), wk = 0.0024876 k( 140) = ( -0.1509199 0.1509199 0.1509199), wk = 0.0024876 k( 141) = ( -0.1453303 0.1453303 0.1453303), wk = 0.0024876 k( 142) = ( -0.1397407 0.1397407 0.1397407), wk = 0.0024876 k( 143) = ( -0.1341510 0.1341510 0.1341510), wk = 0.0024876 k( 144) = ( -0.1285614 0.1285614 0.1285614), wk = 0.0024876 k( 145) = ( -0.1229718 0.1229718 0.1229718), wk = 0.0024876 k( 146) = ( -0.1173822 0.1173822 0.1173822), wk = 0.0024876 k( 147) = ( -0.1117925 0.1117925 0.1117925), wk = 0.0024876 k( 148) = ( -0.1062029 0.1062029 0.1062029), wk = 0.0024876 k( 149) = ( -0.1006133 0.1006133 0.1006133), wk = 0.0024876 k( 150) = ( -0.0950237 0.0950237 0.0950237), wk = 0.0024876 k( 151) = ( -0.0894340 0.0894340 0.0894340), wk = 0.0024876 k( 152) = ( -0.0838444 0.0838444 0.0838444), wk = 0.0024876 k( 153) = ( -0.0782548 0.0782548 0.0782548), wk = 0.0024876 k( 154) = ( -0.0726651 0.0726651 0.0726651), wk = 0.0024876 k( 155) = ( -0.0670755 0.0670755 0.0670755), wk = 0.0024876 k( 156) = ( -0.0614859 0.0614859 0.0614859), wk = 0.0024876 k( 157) = ( -0.0558963 0.0558963 0.0558963), wk = 0.0024876 k( 158) = ( -0.0503066 0.0503066 0.0503066), wk = 0.0024876 k( 159) = ( -0.0447170 0.0447170 0.0447170), wk = 0.0024876 k( 160) = ( -0.0391274 0.0391274 0.0391274), wk = 0.0024876 k( 161) = ( -0.0335378 0.0335378 0.0335378), wk = 0.0024876 k( 162) = ( -0.0279481 0.0279481 0.0279481), wk = 0.0024876 k( 163) = ( -0.0223585 0.0223585 0.0223585), wk = 0.0024876 k( 164) = ( -0.0167689 0.0167689 0.0167689), wk = 0.0024876 k( 165) = ( -0.0111792 0.0111793 0.0111792), wk = 0.0024876 k( 166) = ( -0.0055896 0.0055896 0.0055896), wk = 0.0024876 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 169) = ( 0.0138889 0.0138889 -0.0138889), wk = 0.0024876 k( 170) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0024876 k( 171) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0024876 k( 172) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0024876 k( 173) = ( 0.0694444 0.0694444 -0.0694444), wk = 0.0024876 k( 174) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0024876 k( 175) = ( 0.0972222 0.0972222 -0.0972222), wk = 0.0024876 k( 176) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0024876 k( 177) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0024876 k( 178) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0024876 k( 179) = ( 0.1527778 0.1527778 -0.1527778), wk = 0.0024876 k( 180) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0024876 k( 181) = ( 0.1805556 0.1805556 -0.1805556), wk = 0.0024876 k( 182) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0024876 k( 183) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0024876 k( 184) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0024876 k( 185) = ( 0.2361111 0.2361111 -0.2361111), wk = 0.0024876 k( 186) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024876 k( 187) = ( 0.2638889 0.2638889 -0.2638889), wk = 0.0024876 k( 188) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0024876 k( 189) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0024876 k( 190) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0024876 k( 191) = ( 0.3194444 0.3194444 -0.3194444), wk = 0.0024876 k( 192) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0024876 k( 193) = ( 0.3472222 0.3472222 -0.3472222), wk = 0.0024876 k( 194) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0024876 k( 195) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0024876 k( 196) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0024876 k( 197) = ( 0.4027778 0.4027778 -0.4027778), wk = 0.0024876 k( 198) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0024876 k( 199) = ( 0.4305556 0.4305556 -0.4305556), wk = 0.0024876 k( 200) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0024876 k( 201) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0024876 k( 202) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0024876 k( 203) = ( 0.4861111 0.4861111 -0.4861111), wk = 0.0024876 k( 204) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024876 k( 205) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024876 k( 206) = ( 0.4943422 0.5056578 -0.4943422), wk = 0.0024876 k( 207) = ( 0.4886844 0.5113156 -0.4886844), wk = 0.0024876 k( 208) = ( 0.4830265 0.5169735 -0.4830265), wk = 0.0024876 k( 209) = ( 0.4773687 0.5226313 -0.4773687), wk = 0.0024876 k( 210) = ( 0.4717109 0.5282891 -0.4717109), wk = 0.0024876 k( 211) = ( 0.4660531 0.5339469 -0.4660531), wk = 0.0024876 k( 212) = ( 0.4603952 0.5396048 -0.4603953), wk = 0.0024876 k( 213) = ( 0.4547374 0.5452626 -0.4547374), wk = 0.0024876 k( 214) = ( 0.4490796 0.5509204 -0.4490796), wk = 0.0024876 k( 215) = ( 0.4434218 0.5565782 -0.4434218), wk = 0.0024876 k( 216) = ( 0.4377640 0.5622360 -0.4377640), wk = 0.0024876 k( 217) = ( 0.4321061 0.5678939 -0.4321061), wk = 0.0024876 k( 218) = ( 0.4264483 0.5735517 -0.4264483), wk = 0.0024876 k( 219) = ( 0.4207905 0.5792095 -0.4207905), wk = 0.0024876 k( 220) = ( 0.4151327 0.5848673 -0.4151327), wk = 0.0024876 k( 221) = ( 0.4094749 0.5905252 -0.4094749), wk = 0.0024876 k( 222) = ( 0.4038170 0.5961830 -0.4038170), wk = 0.0024876 k( 223) = ( 0.3981592 0.6018408 -0.3981592), wk = 0.0024876 k( 224) = ( 0.3925014 0.6074986 -0.3925014), wk = 0.0024876 k( 225) = ( 0.3868436 0.6131564 -0.3868436), wk = 0.0024876 k( 226) = ( 0.3811857 0.6188143 -0.3811857), wk = 0.0024876 k( 227) = ( 0.3755279 0.6244721 -0.3755279), wk = 0.0024876 k( 228) = ( 0.3698701 0.6301299 -0.3698701), wk = 0.0024876 k( 229) = ( 0.3642123 0.6357877 -0.3642123), wk = 0.0024876 k( 230) = ( 0.3585545 0.6414456 -0.3585545), wk = 0.0024876 k( 231) = ( 0.3528966 0.6471034 -0.3528966), wk = 0.0024876 k( 232) = ( 0.3472388 0.6527612 -0.3472388), wk = 0.0024876 k( 233) = ( 0.3415810 0.6584190 -0.3415810), wk = 0.0024876 k( 234) = ( 0.3359232 0.6640768 -0.3359232), wk = 0.0024876 k( 235) = ( 0.3302653 0.6697347 -0.3302653), wk = 0.0024876 k( 236) = ( 0.3246075 0.6753925 -0.3246075), wk = 0.0024876 k( 237) = ( 0.3189497 0.6810503 -0.3189497), wk = 0.0024876 k( 238) = ( 0.3132919 0.6867081 -0.3132919), wk = 0.0024876 k( 239) = ( 0.3076340 0.6923660 -0.3076341), wk = 0.0024876 k( 240) = ( 0.3019762 0.6980238 -0.3019762), wk = 0.0024876 k( 241) = ( 0.2963184 0.7036816 -0.2963184), wk = 0.0024876 k( 242) = ( 0.2906606 0.7093394 -0.2906606), wk = 0.0024876 k( 243) = ( 0.2906606 0.7093394 -0.2906606), wk = 0.0024876 k( 244) = ( 0.2761276 0.6988724 -0.2761276), wk = 0.0024876 k( 245) = ( 0.2615945 0.6884055 -0.2615945), wk = 0.0024876 k( 246) = ( 0.2470615 0.6779385 -0.2470615), wk = 0.0024876 k( 247) = ( 0.2325285 0.6674715 -0.2325285), wk = 0.0024876 k( 248) = ( 0.2179954 0.6570046 -0.2179954), wk = 0.0024876 k( 249) = ( 0.2034624 0.6465376 -0.2034624), wk = 0.0024876 k( 250) = ( 0.1889294 0.6360706 -0.1889294), wk = 0.0024876 k( 251) = ( 0.1743964 0.6256037 -0.1743964), wk = 0.0024876 k( 252) = ( 0.1598633 0.6151367 -0.1598633), wk = 0.0024876 k( 253) = ( 0.1453303 0.6046697 -0.1453303), wk = 0.0024876 k( 254) = ( 0.1307973 0.5942027 -0.1307973), wk = 0.0024876 k( 255) = ( 0.1162642 0.5837358 -0.1162642), wk = 0.0024876 k( 256) = ( 0.1017312 0.5732688 -0.1017312), wk = 0.0024876 k( 257) = ( 0.0871982 0.5628018 -0.0871982), wk = 0.0024876 k( 258) = ( 0.0726651 0.5523349 -0.0726652), wk = 0.0024876 k( 259) = ( 0.0581321 0.5418679 -0.0581321), wk = 0.0024876 k( 260) = ( 0.0435991 0.5314009 -0.0435991), wk = 0.0024876 k( 261) = ( 0.0290661 0.5209339 -0.0290661), wk = 0.0024876 k( 262) = ( 0.0145330 0.5104670 -0.0145330), wk = 0.0024876 k( 263) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024876 k( 264) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024876 k( 265) = ( 0.0056818 0.4943182 0.0056818), wk = 0.0024876 k( 266) = ( 0.0113636 0.4886364 0.0113636), wk = 0.0024876 k( 267) = ( 0.0170455 0.4829546 0.0170454), wk = 0.0024876 k( 268) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0024876 k( 269) = ( 0.0284091 0.4715909 0.0284091), wk = 0.0024876 k( 270) = ( 0.0340909 0.4659091 0.0340909), wk = 0.0024876 k( 271) = ( 0.0397727 0.4602273 0.0397727), wk = 0.0024876 k( 272) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0024876 k( 273) = ( 0.0511364 0.4488636 0.0511364), wk = 0.0024876 k( 274) = ( 0.0568182 0.4431818 0.0568182), wk = 0.0024876 k( 275) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0024876 k( 276) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0024876 k( 277) = ( 0.0738636 0.4261364 0.0738636), wk = 0.0024876 k( 278) = ( 0.0795455 0.4204545 0.0795454), wk = 0.0024876 k( 279) = ( 0.0852273 0.4147727 0.0852273), wk = 0.0024876 k( 280) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0024876 k( 281) = ( 0.0965909 0.4034091 0.0965909), wk = 0.0024876 k( 282) = ( 0.1022727 0.3977273 0.1022727), wk = 0.0024876 k( 283) = ( 0.1079545 0.3920455 0.1079545), wk = 0.0024876 k( 284) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0024876 k( 285) = ( 0.1193182 0.3806818 0.1193182), wk = 0.0024876 k( 286) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024876 k( 287) = ( 0.1306818 0.3693182 0.1306818), wk = 0.0024876 k( 288) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0024876 k( 289) = ( 0.1420454 0.3579546 0.1420454), wk = 0.0024876 k( 290) = ( 0.1477273 0.3522727 0.1477273), wk = 0.0024876 k( 291) = ( 0.1534091 0.3465909 0.1534091), wk = 0.0024876 k( 292) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0024876 k( 293) = ( 0.1647727 0.3352273 0.1647727), wk = 0.0024876 k( 294) = ( 0.1704546 0.3295455 0.1704546), wk = 0.0024876 k( 295) = ( 0.1761364 0.3238636 0.1761364), wk = 0.0024876 k( 296) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0024876 k( 297) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0024876 k( 298) = ( 0.1931818 0.3068182 0.1931818), wk = 0.0024876 k( 299) = ( 0.1988636 0.3011364 0.1988636), wk = 0.0024876 k( 300) = ( 0.2045454 0.2954546 0.2045454), wk = 0.0024876 k( 301) = ( 0.2102273 0.2897727 0.2102273), wk = 0.0024876 k( 302) = ( 0.2159091 0.2840909 0.2159091), wk = 0.0024876 k( 303) = ( 0.2215909 0.2784091 0.2215909), wk = 0.0024876 k( 304) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0024876 k( 305) = ( 0.2329546 0.2670455 0.2329546), wk = 0.0024876 k( 306) = ( 0.2386364 0.2613636 0.2386364), wk = 0.0024876 k( 307) = ( 0.2443182 0.2556818 0.2443182), wk = 0.0024876 k( 308) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024876 k( 309) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024876 k( 310) = ( 0.2619048 0.2619048 0.2342228), wk = 0.0024876 k( 311) = ( 0.2738095 0.2738095 0.2184456), wk = 0.0024876 k( 312) = ( 0.2857143 0.2857143 0.2026684), wk = 0.0024876 k( 313) = ( 0.2976190 0.2976191 0.1868912), wk = 0.0024876 k( 314) = ( 0.3095238 0.3095238 0.1711140), wk = 0.0024876 k( 315) = ( 0.3214286 0.3214286 0.1553368), wk = 0.0024876 k( 316) = ( 0.3333333 0.3333333 0.1395596), wk = 0.0024876 k( 317) = ( 0.3452381 0.3452381 0.1237824), wk = 0.0024876 k( 318) = ( 0.3571429 0.3571429 0.1080052), wk = 0.0024876 k( 319) = ( 0.3690476 0.3690476 0.0922280), wk = 0.0024876 k( 320) = ( 0.3809524 0.3809524 0.0764508), wk = 0.0024876 k( 321) = ( 0.3928571 0.3928571 0.0606736), wk = 0.0024876 k( 322) = ( 0.4047619 0.4047619 0.0448964), wk = 0.0024876 k( 323) = ( 0.4166667 0.4166667 0.0291192), wk = 0.0024876 k( 324) = ( 0.4285714 0.4285714 0.0133420), wk = 0.0024876 k( 325) = ( 0.4404762 0.4404762 -0.0024352), wk = 0.0024876 k( 326) = ( 0.4523810 0.4523810 -0.0182124), wk = 0.0024876 k( 327) = ( 0.4642857 0.4642857 -0.0339896), wk = 0.0024876 k( 328) = ( 0.4761905 0.4761905 -0.0497668), wk = 0.0024876 k( 329) = ( 0.4880952 0.4880952 -0.0655440), wk = 0.0024876 k( 330) = ( 0.5000000 0.5000000 -0.0813212), wk = 0.0024876 k( 331) = ( 0.5000000 0.5000000 -0.0813212), wk = 0.0024876 k( 332) = ( 0.5000000 0.5000000 -0.0893727), wk = 0.0024876 k( 333) = ( 0.5000000 0.5000000 -0.0974242), wk = 0.0024876 k( 334) = ( 0.5000000 0.5000000 -0.1054757), wk = 0.0024876 k( 335) = ( 0.5000000 0.5000000 -0.1135272), wk = 0.0024876 k( 336) = ( 0.5000000 0.5000000 -0.1215788), wk = 0.0024876 k( 337) = ( 0.5000000 0.5000000 -0.1296303), wk = 0.0024876 k( 338) = ( 0.5000000 0.5000000 -0.1376818), wk = 0.0024876 k( 339) = ( 0.5000000 0.5000000 -0.1457333), wk = 0.0024876 k( 340) = ( 0.5000000 0.5000000 -0.1537848), wk = 0.0024876 k( 341) = ( 0.5000000 0.5000000 -0.1618363), wk = 0.0024876 k( 342) = ( 0.5000000 0.5000000 -0.1698879), wk = 0.0024876 k( 343) = ( 0.5000000 0.5000000 -0.1779394), wk = 0.0024876 k( 344) = ( 0.5000000 0.5000000 -0.1859909), wk = 0.0024876 k( 345) = ( 0.5000000 0.5000000 -0.1940424), wk = 0.0024876 k( 346) = ( 0.5000000 0.5000000 -0.2020939), wk = 0.0024876 k( 347) = ( 0.5000000 0.5000000 -0.2101454), wk = 0.0024876 k( 348) = ( 0.5000000 0.5000000 -0.2181969), wk = 0.0024876 k( 349) = ( 0.5000000 0.5000000 -0.2262485), wk = 0.0024876 k( 350) = ( 0.5000000 0.5000000 -0.2343000), wk = 0.0024876 k( 351) = ( 0.5000000 0.5000000 -0.2423515), wk = 0.0024876 k( 352) = ( 0.5000000 0.5000000 -0.2504030), wk = 0.0024876 k( 353) = ( 0.5000000 0.5000000 -0.2584545), wk = 0.0024876 k( 354) = ( 0.5000000 0.5000000 -0.2665060), wk = 0.0024876 k( 355) = ( 0.5000000 0.5000000 -0.2745575), wk = 0.0024876 k( 356) = ( 0.5000000 0.5000000 -0.2826091), wk = 0.0024876 k( 357) = ( 0.5000000 0.5000000 -0.2906606), wk = 0.0024876 k( 358) = ( 0.5000000 0.5000000 -0.2987121), wk = 0.0024876 k( 359) = ( 0.5000000 0.5000000 -0.3067636), wk = 0.0024876 k( 360) = ( 0.5000000 0.5000000 -0.3148151), wk = 0.0024876 k( 361) = ( 0.5000000 0.5000000 -0.3228666), wk = 0.0024876 k( 362) = ( 0.5000000 0.5000000 -0.3309182), wk = 0.0024876 k( 363) = ( 0.5000000 0.5000000 -0.3389697), wk = 0.0024876 k( 364) = ( 0.5000000 0.5000000 -0.3470212), wk = 0.0024876 k( 365) = ( 0.5000000 0.5000000 -0.3550727), wk = 0.0024876 k( 366) = ( 0.5000000 0.5000000 -0.3631242), wk = 0.0024876 k( 367) = ( 0.5000000 0.5000000 -0.3711757), wk = 0.0024876 k( 368) = ( 0.5000000 0.5000000 -0.3792273), wk = 0.0024876 k( 369) = ( 0.5000000 0.5000000 -0.3872788), wk = 0.0024876 k( 370) = ( 0.5000000 0.5000000 -0.3953303), wk = 0.0024876 k( 371) = ( 0.5000000 0.5000000 -0.4033818), wk = 0.0024876 k( 372) = ( 0.5000000 0.5000000 -0.4114333), wk = 0.0024876 k( 373) = ( 0.5000000 0.5000000 -0.4194848), wk = 0.0024876 k( 374) = ( 0.5000000 0.5000000 -0.4275364), wk = 0.0024876 k( 375) = ( 0.5000000 0.5000000 -0.4355879), wk = 0.0024876 k( 376) = ( 0.5000000 0.5000000 -0.4436394), wk = 0.0024876 k( 377) = ( 0.5000000 0.5000000 -0.4516909), wk = 0.0024876 k( 378) = ( 0.5000000 0.5000000 -0.4597424), wk = 0.0024876 k( 379) = ( 0.5000000 0.5000000 -0.4677939), wk = 0.0024876 k( 380) = ( 0.5000000 0.5000000 -0.4758455), wk = 0.0024876 k( 381) = ( 0.5000000 0.5000000 -0.4838970), wk = 0.0024876 k( 382) = ( 0.5000000 0.5000000 -0.4919485), wk = 0.0024876 k( 383) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024876 k( 384) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 385) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0024876 k( 386) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0024876 k( 387) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0024876 k( 388) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0024876 k( 389) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0024876 k( 390) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0024876 k( 391) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0024876 k( 392) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0024876 k( 393) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024876 k( 394) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0024876 k( 395) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0024876 k( 396) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0024876 k( 397) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0024876 k( 398) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0024876 k( 399) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0024876 k( 400) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0024876 k( 401) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0024876 k( 402) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024876 Dense grid: 23549 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 18337 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 148, 42) NL pseudopotentials 0.17 Mb ( 74, 152) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.00 Mb ( 655) G-vector shells 0.00 Mb ( 315) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 148, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.19 Mb ( 152, 2, 42) The potential is recalculated from file : ./ZrxNiPx2.save/charge-density.dat Starting wfc are 70 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 9.8 secs Computing kpt #: 13 total cpu time spent up to now is 10.2 secs Computing kpt #: 14 total cpu time spent up to now is 10.5 secs Computing kpt #: 15 total cpu time spent up to now is 11.0 secs Computing kpt #: 16 total cpu time spent up to now is 11.3 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.5 secs Computing kpt #: 20 total cpu time spent up to now is 13.0 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.8 secs Computing kpt #: 23 total cpu time spent up to now is 14.1 secs Computing kpt #: 24 total cpu time spent up to now is 14.5 secs Computing kpt #: 25 total cpu time spent up to now is 14.9 secs Computing kpt #: 26 total cpu time spent up to now is 15.3 secs Computing kpt #: 27 total cpu time spent up to now is 15.7 secs Computing kpt #: 28 total cpu time spent up to now is 16.1 secs Computing kpt #: 29 total cpu time spent up to now is 16.5 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.4 secs Computing kpt #: 32 total cpu time spent up to now is 17.8 secs Computing kpt #: 33 total cpu time spent up to now is 18.2 secs Computing kpt #: 34 total cpu time spent up to now is 18.7 secs Computing kpt #: 35 total cpu time spent up to now is 19.2 secs Computing kpt #: 36 total cpu time spent up to now is 19.6 secs Computing kpt #: 37 total cpu time spent up to now is 20.1 secs Computing kpt #: 38 total cpu time spent up to now is 20.6 secs Computing kpt #: 39 total cpu time spent up to now is 21.1 secs Computing kpt #: 40 total cpu time spent up to now is 21.6 secs Computing kpt #: 41 total cpu time spent up to now is 22.0 secs Computing kpt #: 42 total cpu time spent up to now is 22.5 secs Computing kpt #: 43 total cpu time spent up to now is 22.9 secs Computing kpt #: 44 total cpu time spent up to now is 23.4 secs Computing kpt #: 45 total cpu time spent up to now is 23.9 secs Computing kpt #: 46 total cpu time spent up to now is 24.4 secs Computing kpt #: 47 total cpu time spent up to now is 24.8 secs Computing kpt #: 48 total cpu time spent up to now is 25.3 secs Computing kpt #: 49 total cpu time spent up to now is 25.8 secs Computing kpt #: 50 total cpu time spent up to now is 26.3 secs Computing kpt #: 51 total cpu time spent up to now is 26.7 secs Computing kpt #: 52 total cpu time spent up to now is 27.2 secs Computing kpt #: 53 total cpu time spent up to now is 27.7 secs Computing kpt #: 54 total cpu time spent up to now is 28.2 secs Computing kpt #: 55 total cpu time spent up to now is 28.6 secs Computing kpt #: 56 total cpu time spent up to now is 29.1 secs Computing kpt #: 57 total cpu time spent up to now is 29.6 secs Computing kpt #: 58 total cpu time spent up to now is 30.1 secs Computing kpt #: 59 total cpu time spent up to now is 30.6 secs Computing kpt #: 60 total cpu time spent up to now is 31.1 secs Computing kpt #: 61 total cpu time spent up to now is 31.7 secs Computing kpt #: 62 total cpu time spent up to now is 32.4 secs Computing kpt #: 63 total cpu time spent up to now is 33.1 secs Computing kpt #: 64 total cpu time spent up to now is 33.7 secs Computing kpt #: 65 total cpu time spent up to now is 34.3 secs Computing kpt #: 66 total cpu time spent up to now is 34.9 secs Computing kpt #: 67 total cpu time spent up to now is 35.5 secs Computing kpt #: 68 total cpu time spent up to now is 36.2 secs Computing kpt #: 69 total cpu time spent up to now is 36.7 secs Computing kpt #: 70 total cpu time spent up to now is 37.3 secs Computing kpt #: 71 total cpu time spent up to now is 37.8 secs Computing kpt #: 72 total cpu time spent up to now is 38.4 secs Computing kpt #: 73 total cpu time spent up to now is 39.0 secs Computing kpt #: 74 total cpu time spent up to now is 39.5 secs Computing kpt #: 75 total cpu time spent up to now is 39.9 secs Computing kpt #: 76 total cpu time spent up to now is 40.4 secs Computing kpt #: 77 total cpu time spent up to now is 40.9 secs Computing kpt #: 78 total cpu time spent up to now is 41.4 secs Computing kpt #: 79 total cpu time spent up to now is 41.8 secs Computing kpt #: 80 total cpu time spent up to now is 42.3 secs Computing kpt #: 81 total cpu time spent up to now is 42.8 secs Computing kpt #: 82 total cpu time spent up to now is 43.3 secs Computing kpt #: 83 total cpu time spent up to now is 43.7 secs Computing kpt #: 84 total cpu time spent up to now is 44.2 secs Computing kpt #: 85 total cpu time spent up to now is 44.7 secs Computing kpt #: 86 total cpu time spent up to now is 45.2 secs Computing kpt #: 87 total cpu time spent up to now is 45.6 secs Computing kpt #: 88 total cpu time spent up to now is 46.0 secs Computing kpt #: 89 total cpu time spent up to now is 46.5 secs Computing kpt #: 90 total cpu time spent up to now is 46.9 secs Computing kpt #: 91 total cpu time spent up to now is 47.3 secs Computing kpt #: 92 total cpu time spent up to now is 47.8 secs Computing kpt #: 93 total cpu time spent up to now is 48.2 secs Computing kpt #: 94 total cpu time spent up to now is 48.6 secs Computing kpt #: 95 total cpu time spent up to now is 49.0 secs Computing kpt #: 96 total cpu time spent up to now is 49.4 secs Computing kpt #: 97 total cpu time spent up to now is 49.8 secs Computing kpt #: 98 total cpu time spent up to now is 50.2 secs Computing kpt #: 99 total cpu time spent up to now is 50.6 secs Computing kpt #: 100 total cpu time spent up to now is 51.0 secs Computing kpt #: 101 total cpu time spent up to now is 51.4 secs Computing kpt #: 102 total cpu time spent up to now is 51.9 secs Computing kpt #: 103 total cpu time spent up to now is 52.3 secs Computing kpt #: 104 total cpu time spent up to now is 52.8 secs Computing kpt #: 105 total cpu time spent up to now is 53.3 secs Computing kpt #: 106 total cpu time spent up to now is 53.9 secs Computing kpt #: 107 total cpu time spent up to now is 54.4 secs Computing kpt #: 108 total cpu time spent up to now is 54.9 secs Computing kpt #: 109 total cpu time spent up to now is 55.4 secs Computing kpt #: 110 total cpu time spent up to now is 55.9 secs Computing kpt #: 111 total cpu time spent up to now is 56.3 secs Computing kpt #: 112 total cpu time spent up to now is 56.8 secs Computing kpt #: 113 total cpu time spent up to now is 57.2 secs Computing kpt #: 114 total cpu time spent up to now is 57.7 secs Computing kpt #: 115 total cpu time spent up to now is 58.1 secs Computing kpt #: 116 total cpu time spent up to now is 58.5 secs Computing kpt #: 117 total cpu time spent up to now is 59.0 secs Computing kpt #: 118 total cpu time spent up to now is 59.4 secs Computing kpt #: 119 total cpu time spent up to now is 59.8 secs Computing kpt #: 120 total cpu time spent up to now is 60.3 secs Computing kpt #: 121 total cpu time spent up to now is 60.7 secs Computing kpt #: 122 total cpu time spent up to now is 61.1 secs Computing kpt #: 123 total cpu time spent up to now is 61.5 secs Computing kpt #: 124 total cpu time spent up to now is 61.9 secs Computing kpt #: 125 total cpu time spent up to now is 62.4 secs Computing kpt #: 126 total cpu time spent up to now is 63.2 secs Computing kpt #: 127 total cpu time spent up to now is 63.6 secs Computing kpt #: 128 total cpu time spent up to now is 64.0 secs Computing kpt #: 129 total cpu time spent up to now is 64.4 secs Computing kpt #: 130 total cpu time spent up to now is 64.8 secs Computing kpt #: 131 total cpu time spent up to now is 65.2 secs Computing kpt #: 132 total cpu time spent up to now is 65.6 secs Computing kpt #: 133 total cpu time spent up to now is 66.0 secs Computing kpt #: 134 total cpu time spent up to now is 66.4 secs Computing kpt #: 135 total cpu time spent up to now is 66.7 secs Computing kpt #: 136 total cpu time spent up to now is 67.1 secs Computing kpt #: 137 total cpu time spent up to now is 67.5 secs Computing kpt #: 138 total cpu time spent up to now is 67.9 secs Computing kpt #: 139 total cpu time spent up to now is 68.3 secs Computing kpt #: 140 total cpu time spent up to now is 68.7 secs Computing kpt #: 141 total cpu time spent up to now is 69.1 secs Computing kpt #: 142 total cpu time spent up to now is 69.5 secs Computing kpt #: 143 total cpu time spent up to now is 70.0 secs Computing kpt #: 144 total cpu time spent up to now is 70.5 secs Computing kpt #: 145 total cpu time spent up to now is 71.0 secs Computing kpt #: 146 total cpu time spent up to now is 71.5 secs Computing kpt #: 147 total cpu time spent up to now is 71.9 secs Computing kpt #: 148 total cpu time spent up to now is 72.3 secs Computing kpt #: 149 total cpu time spent up to now is 72.7 secs Computing kpt #: 150 total cpu time spent up to now is 73.1 secs Computing kpt #: 151 total cpu time spent up to now is 73.5 secs Computing kpt #: 152 total cpu time spent up to now is 73.9 secs Computing kpt #: 153 total cpu time spent up to now is 74.3 secs Computing kpt #: 154 total cpu time spent up to now is 74.7 secs Computing kpt #: 155 total cpu time spent up to now is 75.2 secs Computing kpt #: 156 total cpu time spent up to now is 75.7 secs Computing kpt #: 157 total cpu time spent up to now is 76.1 secs Computing kpt #: 158 total cpu time spent up to now is 76.6 secs Computing kpt #: 159 total cpu time spent up to now is 77.0 secs Computing kpt #: 160 total cpu time spent up to now is 77.5 secs Computing kpt #: 161 total cpu time spent up to now is 78.0 secs Computing kpt #: 162 total cpu time spent up to now is 78.5 secs Computing kpt #: 163 total cpu time spent up to now is 79.7 secs Computing kpt #: 164 total cpu time spent up to now is 80.5 secs Computing kpt #: 165 total cpu time spent up to now is 81.2 secs Computing kpt #: 166 total cpu time spent up to now is 81.8 secs Computing kpt #: 167 total cpu time spent up to now is 82.5 secs Computing kpt #: 168 total cpu time spent up to now is 83.1 secs Computing kpt #: 169 total cpu time spent up to now is 83.7 secs Computing kpt #: 170 total cpu time spent up to now is 84.3 secs Computing kpt #: 171 total cpu time spent up to now is 84.9 secs Computing kpt #: 172 total cpu time spent up to now is 85.6 secs Computing kpt #: 173 total cpu time spent up to now is 86.1 secs Computing kpt #: 174 total cpu time spent up to now is 86.6 secs Computing kpt #: 175 total cpu time spent up to now is 87.1 secs Computing kpt #: 176 total cpu time spent up to now is 87.6 secs Computing kpt #: 177 total cpu time spent up to now is 88.1 secs Computing kpt #: 178 total cpu time spent up to now is 88.6 secs Computing kpt #: 179 total cpu time spent up to now is 89.2 secs Computing kpt #: 180 total cpu time spent up to now is 89.7 secs Computing kpt #: 181 total cpu time spent up to now is 90.2 secs Computing kpt #: 182 total cpu time spent up to now is 90.7 secs Computing kpt #: 183 total cpu time spent up to now is 91.2 secs Computing kpt #: 184 total cpu time spent up to now is 91.8 secs Computing kpt #: 185 total cpu time spent up to now is 92.3 secs Computing kpt #: 186 total cpu time spent up to now is 92.9 secs Computing kpt #: 187 total cpu time spent up to now is 93.4 secs Computing kpt #: 188 total cpu time spent up to now is 94.0 secs Computing kpt #: 189 total cpu time spent up to now is 94.5 secs Computing kpt #: 190 total cpu time spent up to now is 95.1 secs Computing kpt #: 191 total cpu time spent up to now is 95.6 secs Computing kpt #: 192 total cpu time spent up to now is 96.1 secs Computing kpt #: 193 total cpu time spent up to now is 96.7 secs Computing kpt #: 194 total cpu time spent up to now is 97.2 secs Computing kpt #: 195 total cpu time spent up to now is 97.8 secs Computing kpt #: 196 total cpu time spent up to now is 98.3 secs Computing kpt #: 197 total cpu time spent up to now is 98.8 secs Computing kpt #: 198 total cpu time spent up to now is 99.3 secs Computing kpt #: 199 total cpu time spent up to now is 99.8 secs Computing kpt #: 200 total cpu time spent up to now is 100.3 secs Computing kpt #: 201 total cpu time spent up to now is 100.9 secs Computing kpt #: 202 total cpu time spent up to now is 101.4 secs Computing kpt #: 203 total cpu time spent up to now is 101.9 secs Computing kpt #: 204 total cpu time spent up to now is 102.4 secs Computing kpt #: 205 total cpu time spent up to now is 102.9 secs Computing kpt #: 206 total cpu time spent up to now is 103.5 secs Computing kpt #: 207 total cpu time spent up to now is 104.0 secs Computing kpt #: 208 total cpu time spent up to now is 104.4 secs Computing kpt #: 209 total cpu time spent up to now is 104.9 secs Computing kpt #: 210 total cpu time spent up to now is 105.3 secs Computing kpt #: 211 total cpu time spent up to now is 105.8 secs Computing kpt #: 212 total cpu time spent up to now is 106.2 secs Computing kpt #: 213 total cpu time spent up to now is 106.6 secs Computing kpt #: 214 total cpu time spent up to now is 107.0 secs Computing kpt #: 215 total cpu time spent up to now is 107.5 secs Computing kpt #: 216 total cpu time spent up to now is 107.9 secs Computing kpt #: 217 total cpu time spent up to now is 108.3 secs Computing kpt #: 218 total cpu time spent up to now is 108.8 secs Computing kpt #: 219 total cpu time spent up to now is 109.2 secs Computing kpt #: 220 total cpu time spent up to now is 109.8 secs Computing kpt #: 221 total cpu time spent up to now is 110.3 secs Computing kpt #: 222 total cpu time spent up to now is 110.8 secs Computing kpt #: 223 total cpu time spent up to now is 111.3 secs Computing kpt #: 224 total cpu time spent up to now is 112.0 secs Computing kpt #: 225 total cpu time spent up to now is 112.6 secs Computing kpt #: 226 total cpu time spent up to now is 113.2 secs Computing kpt #: 227 total cpu time spent up to now is 113.7 secs Computing kpt #: 228 total cpu time spent up to now is 114.4 secs Computing kpt #: 229 total cpu time spent up to now is 115.0 secs Computing kpt #: 230 total cpu time spent up to now is 115.5 secs Computing kpt #: 231 total cpu time spent up to now is 116.0 secs Computing kpt #: 232 total cpu time spent up to now is 116.6 secs Computing kpt #: 233 total cpu time spent up to now is 117.1 secs Computing kpt #: 234 total cpu time spent up to now is 117.6 secs Computing kpt #: 235 total cpu time spent up to now is 118.1 secs Computing kpt #: 236 total cpu time spent up to now is 118.6 secs Computing kpt #: 237 total cpu time spent up to now is 119.1 secs Computing kpt #: 238 total cpu time spent up to now is 119.6 secs Computing kpt #: 239 total cpu time spent up to now is 120.0 secs Computing kpt #: 240 total cpu time spent up to now is 120.5 secs Computing kpt #: 241 total cpu time spent up to now is 120.9 secs Computing kpt #: 242 total cpu time spent up to now is 121.3 secs Computing kpt #: 243 total cpu time spent up to now is 121.7 secs Computing kpt #: 244 total cpu time spent up to now is 122.2 secs Computing kpt #: 245 total cpu time spent up to now is 122.6 secs Computing kpt #: 246 total cpu time spent up to now is 123.1 secs Computing kpt #: 247 total cpu time spent up to now is 123.5 secs Computing kpt #: 248 total cpu time spent up to now is 124.0 secs Computing kpt #: 249 total cpu time spent up to now is 124.4 secs Computing kpt #: 250 total cpu time spent up to now is 124.8 secs Computing kpt #: 251 total cpu time spent up to now is 125.3 secs Computing kpt #: 252 total cpu time spent up to now is 125.7 secs Computing kpt #: 253 total cpu time spent up to now is 126.1 secs Computing kpt #: 254 total cpu time spent up to now is 126.6 secs Computing kpt #: 255 total cpu time spent up to now is 127.0 secs Computing kpt #: 256 total cpu time spent up to now is 127.5 secs Computing kpt #: 257 total cpu time spent up to now is 127.9 secs Computing kpt #: 258 total cpu time spent up to now is 128.3 secs Computing kpt #: 259 total cpu time spent up to now is 128.8 secs Computing kpt #: 260 total cpu time spent up to now is 129.2 secs Computing kpt #: 261 total cpu time spent up to now is 129.6 secs Computing kpt #: 262 total cpu time spent up to now is 130.0 secs Computing kpt #: 263 total cpu time spent up to now is 130.4 secs Computing kpt #: 264 total cpu time spent up to now is 130.8 secs Computing kpt #: 265 total cpu time spent up to now is 131.2 secs Computing kpt #: 266 total cpu time spent up to now is 131.7 secs Computing kpt #: 267 total cpu time spent up to now is 132.1 secs Computing kpt #: 268 total cpu time spent up to now is 132.5 secs Computing kpt #: 269 total cpu time spent up to now is 132.9 secs Computing kpt #: 270 total cpu time spent up to now is 133.3 secs Computing kpt #: 271 total cpu time spent up to now is 133.8 secs Computing kpt #: 272 total cpu time spent up to now is 134.2 secs Computing kpt #: 273 total cpu time spent up to now is 134.7 secs Computing kpt #: 274 total cpu time spent up to now is 135.2 secs Computing kpt #: 275 total cpu time spent up to now is 135.7 secs Computing kpt #: 276 total cpu time spent up to now is 136.3 secs Computing kpt #: 277 total cpu time spent up to now is 136.8 secs Computing kpt #: 278 total cpu time spent up to now is 137.3 secs Computing kpt #: 279 total cpu time spent up to now is 137.8 secs Computing kpt #: 280 total cpu time spent up to now is 138.3 secs Computing kpt #: 281 total cpu time spent up to now is 138.8 secs Computing kpt #: 282 total cpu time spent up to now is 139.4 secs Computing kpt #: 283 total cpu time spent up to now is 139.9 secs Computing kpt #: 284 total cpu time spent up to now is 140.3 secs Computing kpt #: 285 total cpu time spent up to now is 140.7 secs Computing kpt #: 286 total cpu time spent up to now is 141.2 secs Computing kpt #: 287 total cpu time spent up to now is 141.7 secs Computing kpt #: 288 total cpu time spent up to now is 142.3 secs Computing kpt #: 289 total cpu time spent up to now is 142.8 secs Computing kpt #: 290 total cpu time spent up to now is 143.3 secs Computing kpt #: 291 total cpu time spent up to now is 143.8 secs Computing kpt #: 292 total cpu time spent up to now is 144.3 secs Computing kpt #: 293 total cpu time spent up to now is 144.8 secs Computing kpt #: 294 total cpu time spent up to now is 145.3 secs Computing kpt #: 295 total cpu time spent up to now is 145.8 secs Computing kpt #: 296 total cpu time spent up to now is 146.3 secs Computing kpt #: 297 total cpu time spent up to now is 146.7 secs Computing kpt #: 298 total cpu time spent up to now is 147.2 secs Computing kpt #: 299 total cpu time spent up to now is 147.7 secs Computing kpt #: 300 total cpu time spent up to now is 148.2 secs Computing kpt #: 301 total cpu time spent up to now is 148.7 secs Computing kpt #: 302 total cpu time spent up to now is 149.2 secs Computing kpt #: 303 total cpu time spent up to now is 149.7 secs Computing kpt #: 304 total cpu time spent up to now is 150.2 secs Computing kpt #: 305 total cpu time spent up to now is 150.7 secs Computing kpt #: 306 total cpu time spent up to now is 151.2 secs Computing kpt #: 307 total cpu time spent up to now is 151.7 secs Computing kpt #: 308 total cpu time spent up to now is 152.1 secs Computing kpt #: 309 total cpu time spent up to now is 152.6 secs Computing kpt #: 310 total cpu time spent up to now is 153.1 secs Computing kpt #: 311 total cpu time spent up to now is 153.5 secs Computing kpt #: 312 total cpu time spent up to now is 154.0 secs Computing kpt #: 313 total cpu time spent up to now is 154.5 secs Computing kpt #: 314 total cpu time spent up to now is 155.0 secs Computing kpt #: 315 total cpu time spent up to now is 155.5 secs Computing kpt #: 316 total cpu time spent up to now is 156.0 secs Computing kpt #: 317 total cpu time spent up to now is 156.5 secs Computing kpt #: 318 total cpu time spent up to now is 157.1 secs Computing kpt #: 319 total cpu time spent up to now is 157.6 secs Computing kpt #: 320 total cpu time spent up to now is 158.1 secs Computing kpt #: 321 total cpu time spent up to now is 158.6 secs Computing kpt #: 322 total cpu time spent up to now is 159.1 secs Computing kpt #: 323 total cpu time spent up to now is 159.6 secs Computing kpt #: 324 total cpu time spent up to now is 160.2 secs Computing kpt #: 325 total cpu time spent up to now is 160.7 secs Computing kpt #: 326 total cpu time spent up to now is 161.2 secs Computing kpt #: 327 total cpu time spent up to now is 161.7 secs Computing kpt #: 328 total cpu time spent up to now is 162.1 secs Computing kpt #: 329 total cpu time spent up to now is 162.6 secs Computing kpt #: 330 total cpu time spent up to now is 163.1 secs Computing kpt #: 331 total cpu time spent up to now is 163.6 secs Computing kpt #: 332 total cpu time spent up to now is 164.0 secs Computing kpt #: 333 total cpu time spent up to now is 164.5 secs Computing kpt #: 334 total cpu time spent up to now is 165.0 secs Computing kpt #: 335 total cpu time spent up to now is 165.4 secs Computing kpt #: 336 total cpu time spent up to now is 165.9 secs Computing kpt #: 337 total cpu time spent up to now is 166.4 secs Computing kpt #: 338 total cpu time spent up to now is 166.8 secs Computing kpt #: 339 total cpu time spent up to now is 167.3 secs Computing kpt #: 340 total cpu time spent up to now is 167.8 secs Computing kpt #: 341 total cpu time spent up to now is 168.2 secs Computing kpt #: 342 total cpu time spent up to now is 168.6 secs Computing kpt #: 343 total cpu time spent up to now is 169.0 secs Computing kpt #: 344 total cpu time spent up to now is 169.4 secs Computing kpt #: 345 total cpu time spent up to now is 169.8 secs Computing kpt #: 346 total cpu time spent up to now is 170.2 secs Computing kpt #: 347 total cpu time spent up to now is 170.6 secs Computing kpt #: 348 total cpu time spent up to now is 171.0 secs Computing kpt #: 349 total cpu time spent up to now is 171.4 secs Computing kpt #: 350 total cpu time spent up to now is 171.8 secs Computing kpt #: 351 total cpu time spent up to now is 172.2 secs Computing kpt #: 352 total cpu time spent up to now is 172.6 secs Computing kpt #: 353 total cpu time spent up to now is 173.0 secs Computing kpt #: 354 total cpu time spent up to now is 173.4 secs Computing kpt #: 355 total cpu time spent up to now is 173.8 secs Computing kpt #: 356 total cpu time spent up to now is 174.2 secs Computing kpt #: 357 total cpu time spent up to now is 174.6 secs Computing kpt #: 358 total cpu time spent up to now is 175.0 secs Computing kpt #: 359 total cpu time spent up to now is 175.4 secs Computing kpt #: 360 total cpu time spent up to now is 175.8 secs Computing kpt #: 361 total cpu time spent up to now is 176.2 secs Computing kpt #: 362 total cpu time spent up to now is 176.6 secs Computing kpt #: 363 total cpu time spent up to now is 177.0 secs Computing kpt #: 364 total cpu time spent up to now is 177.4 secs Computing kpt #: 365 total cpu time spent up to now is 177.9 secs Computing kpt #: 366 total cpu time spent up to now is 178.3 secs Computing kpt #: 367 total cpu time spent up to now is 178.7 secs Computing kpt #: 368 total cpu time spent up to now is 179.2 secs Computing kpt #: 369 total cpu time spent up to now is 179.6 secs Computing kpt #: 370 total cpu time spent up to now is 180.1 secs Computing kpt #: 371 total cpu time spent up to now is 180.6 secs Computing kpt #: 372 total cpu time spent up to now is 181.1 secs Computing kpt #: 373 total cpu time spent up to now is 181.6 secs Computing kpt #: 374 total cpu time spent up to now is 182.0 secs Computing kpt #: 375 total cpu time spent up to now is 182.5 secs Computing kpt #: 376 total cpu time spent up to now is 182.9 secs Computing kpt #: 377 total cpu time spent up to now is 183.3 secs Computing kpt #: 378 total cpu time spent up to now is 183.8 secs Computing kpt #: 379 total cpu time spent up to now is 184.2 secs Computing kpt #: 380 total cpu time spent up to now is 184.7 secs Computing kpt #: 381 total cpu time spent up to now is 185.2 secs Computing kpt #: 382 total cpu time spent up to now is 185.7 secs Computing kpt #: 383 total cpu time spent up to now is 186.3 secs Computing kpt #: 384 total cpu time spent up to now is 186.9 secs Computing kpt #: 385 total cpu time spent up to now is 187.4 secs Computing kpt #: 386 total cpu time spent up to now is 188.0 secs Computing kpt #: 387 total cpu time spent up to now is 188.6 secs Computing kpt #: 388 total cpu time spent up to now is 189.1 secs Computing kpt #: 389 total cpu time spent up to now is 189.7 secs Computing kpt #: 390 total cpu time spent up to now is 190.2 secs Computing kpt #: 391 total cpu time spent up to now is 190.7 secs Computing kpt #: 392 total cpu time spent up to now is 191.2 secs Computing kpt #: 393 total cpu time spent up to now is 191.7 secs Computing kpt #: 394 total cpu time spent up to now is 192.1 secs Computing kpt #: 395 total cpu time spent up to now is 192.6 secs Computing kpt #: 396 total cpu time spent up to now is 193.1 secs Computing kpt #: 397 total cpu time spent up to now is 193.5 secs Computing kpt #: 398 total cpu time spent up to now is 194.0 secs Computing kpt #: 399 total cpu time spent up to now is 194.5 secs Computing kpt #: 400 total cpu time spent up to now is 194.9 secs Computing kpt #: 401 total cpu time spent up to now is 195.4 secs Computing kpt #: 402 total cpu time spent up to now is 195.9 secs ethr = 2.94E-08, avg # of iterations = 24.5 total cpu time spent up to now is 195.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2315 PWs) bands (ev): -0.1821 -0.1821 4.7550 4.7550 6.3561 6.3561 9.8136 9.8136 9.8254 9.8254 10.8931 10.8931 10.9879 10.9879 11.1211 11.1211 11.1294 11.1294 12.6837 12.6837 12.7872 12.7872 12.9430 12.9430 13.2693 13.2693 13.3186 13.3186 13.7459 13.7459 14.5729 14.5729 15.9589 15.9589 15.9604 15.9604 16.7704 16.7704 18.3422 18.3422 19.7152 19.7152 k = 0.0000 0.0000 0.0160 ( 2311 PWs) bands (ev): -0.1809 -0.1809 4.7547 4.7547 6.3574 6.3574 9.8117 9.8117 9.8238 9.8238 10.8925 10.8925 10.9890 10.9890 11.1192 11.1192 11.1301 11.1301 12.6836 12.6836 12.7874 12.7874 12.9418 12.9418 13.2697 13.2697 13.3188 13.3188 13.7452 13.7452 14.5735 14.5735 15.9389 15.9389 15.9621 15.9621 16.7892 16.7892 18.3458 18.3458 19.7199 19.7199 k = 0.0000 0.0000 0.0320 ( 2311 PWs) bands (ev): -0.1772 -0.1772 4.7538 4.7538 6.3610 6.3610 9.8042 9.8042 9.8206 9.8206 10.8909 10.8909 10.9921 10.9921 11.1096 11.1096 11.1358 11.1358 12.6836 12.6836 12.7880 12.7880 12.9382 12.9382 13.2705 13.2705 13.3194 13.3194 13.7431 13.7431 14.5754 14.5754 15.8812 15.8812 15.9707 15.9707 16.8397 16.8397 18.3563 18.3563 19.7340 19.7340 k = 0.0000 0.0000 0.0481 ( 2311 PWs) bands (ev): -0.1710 -0.1710 4.7522 4.7522 6.3671 6.3671 9.7894 9.7894 9.8178 9.8178 10.8885 10.8885 10.9970 10.9970 11.0921 11.0921 11.1466 11.1466 12.6834 12.6834 12.7889 12.7889 12.9326 12.9326 13.2708 13.2708 13.3205 13.3205 13.7397 13.7397 14.5786 14.5786 15.7984 15.7984 15.9851 15.9851 16.9104 16.9104 18.3736 18.3736 19.7578 19.7578 k = 0.0000 0.0000 0.0641 ( 2307 PWs) bands (ev): -0.1623 -0.1623 4.7500 4.7500 6.3756 6.3756 9.7677 9.7677 9.8151 9.8151 10.8858 10.8858 11.0030 11.0030 11.0682 11.0682 11.1615 11.1615 12.6831 12.6831 12.7902 12.7902 12.9255 12.9255 13.2699 13.2699 13.3227 13.3227 13.7349 13.7349 14.5830 14.5830 15.7005 15.7005 16.0052 16.0052 16.9909 16.9909 18.3973 18.3973 19.7884 19.7884 k = 0.0000 0.0000 0.0801 ( 2311 PWs) bands (ev): -0.1512 -0.1512 4.7473 4.7473 6.3864 6.3864 9.7399 9.7399 9.8121 9.8121 10.8832 10.8832 11.0062 11.0062 11.0418 11.0418 11.1798 11.1798 12.6826 12.6826 12.7920 12.7920 12.9175 12.9175 13.2672 13.2672 13.3259 13.3259 13.7286 13.7286 14.5886 14.5886 15.5945 15.5945 16.0309 16.0309 17.0740 17.0740 18.4267 18.4267 19.7001 19.7001 k = 0.0000 0.0000 0.0961 ( 2307 PWs) bands (ev): -0.1377 -0.1377 4.7440 4.7440 6.3996 6.3996 9.7066 9.7066 9.8087 9.8087 10.8811 10.8811 10.9866 10.9866 11.0334 11.0334 11.2008 11.2008 12.6818 12.6818 12.7941 12.7941 12.9091 12.9091 13.2624 13.2624 13.3298 13.3298 13.7212 13.7212 14.5954 14.5954 15.4849 15.4849 16.0621 16.0621 17.1554 17.1554 18.4608 18.4608 19.5844 19.5844 k = 0.0000 0.0000 0.1121 ( 2303 PWs) bands (ev): -0.1218 -0.1218 4.7402 4.7402 6.4150 6.4150 9.6681 9.6681 9.8049 9.8049 10.8796 10.8796 10.9454 10.9454 11.0418 11.0418 11.2242 11.2242 12.6807 12.6807 12.7966 12.7966 12.9007 12.9007 13.2555 13.2555 13.3336 13.3336 13.7125 13.7125 14.6032 14.6032 15.3744 15.3744 16.0986 16.0986 17.2325 17.2325 18.4983 18.4983 19.4704 19.4704 k = 0.0000 0.0000 0.1282 ( 2303 PWs) bands (ev): -0.1036 -0.1036 4.7360 4.7360 6.4326 6.4326 9.6250 9.6250 9.8006 9.8006 10.8773 10.8773 10.8978 10.8978 11.0539 11.0539 11.2495 11.2495 12.6791 12.6791 12.7994 12.7994 12.8925 12.8925 13.2470 13.2470 13.3368 13.3368 13.7025 13.7025 14.6119 14.6119 15.2650 15.2650 16.1403 16.1403 17.3041 17.3041 18.5379 18.5379 19.3589 19.3589 k = 0.0000 0.0000 0.1442 ( 2299 PWs) bands (ev): -0.0830 -0.0830 4.7313 4.7313 6.4523 6.4523 9.5777 9.5777 9.7959 9.7959 10.8381 10.8381 10.8823 10.8823 11.0677 11.0677 11.2764 11.2764 12.6769 12.6769 12.8026 12.8026 12.8850 12.8850 13.2368 13.2368 13.3388 13.3388 13.6915 13.6915 14.6214 14.6214 15.1581 15.1581 16.1872 16.1872 17.3696 17.3696 18.5779 18.5779 19.2505 19.2505 k = 0.0000 0.0000 0.1602 ( 2299 PWs) bands (ev): -0.0602 -0.0602 4.7262 4.7262 6.4740 6.4740 9.5267 9.5267 9.7909 9.7909 10.7780 10.7780 10.8838 10.8838 11.0824 11.0824 11.3045 11.3045 12.6741 12.6741 12.8061 12.8061 12.8781 12.8781 13.2253 13.2253 13.3392 13.3392 13.6793 13.6793 14.6314 14.6314 15.0547 15.0547 16.2389 16.2389 17.4292 17.4292 18.6168 18.6168 19.1454 19.1454 k = 0.0000 0.0000 0.1762 ( 2299 PWs) bands (ev): -0.0352 -0.0352 4.7208 4.7208 6.4976 6.4976 9.4724 9.4724 9.7856 9.7856 10.7129 10.7129 10.8873 10.8873 11.0980 11.0980 11.3335 11.3335 12.6704 12.6704 12.8096 12.8096 12.8721 12.8721 13.2126 13.2126 13.3380 13.3380 13.6661 13.6661 14.6416 14.6416 14.9560 14.9560 16.2952 16.2952 17.4834 17.4834 18.6535 18.6535 19.0445 19.0445 k = 0.0000 0.0000 0.1922 ( 2295 PWs) bands (ev): -0.0081 -0.0081 4.7151 4.7151 6.5229 6.5229 9.4154 9.4154 9.7801 9.7801 10.6436 10.6436 10.8923 10.8923 11.1141 11.1141 11.3629 11.3629 12.6658 12.6658 12.8130 12.8130 12.8672 12.8672 13.1987 13.1987 13.3349 13.3349 13.6518 13.6518 14.6513 14.6513 14.8633 14.8633 16.3561 16.3561 17.5329 17.5329 18.6863 18.6863 18.9486 18.9486 k = 0.0000 0.0000 0.2083 ( 2295 PWs) bands (ev): 0.0211 0.0211 4.7092 4.7092 6.5499 6.5499 9.3561 9.3561 9.7743 9.7743 10.5708 10.5708 10.8987 10.8987 11.1307 11.1307 11.3926 11.3926 12.6601 12.6601 12.8159 12.8159 12.8635 12.8635 13.1839 13.1839 13.3300 13.3300 13.6367 13.6367 14.6575 14.6575 14.7796 14.7796 16.4212 16.4212 17.5784 17.5784 18.7120 18.7120 18.8610 18.8610 k = 0.0000 0.0000 0.2243 ( 2285 PWs) bands (ev): 0.0524 0.0524 4.7032 4.7032 6.5782 6.5782 9.2952 9.2952 9.7685 9.7685 10.4949 10.4949 10.9066 10.9066 11.1477 11.1477 11.4222 11.4222 12.6531 12.6531 12.8176 12.8176 12.8617 12.8617 13.1683 13.1683 13.3233 13.3233 13.6209 13.6209 14.6452 14.6452 14.7207 14.7207 16.4904 16.4904 17.6206 17.6206 18.7126 18.7126 18.8000 18.8000 k = 0.0000 0.0000 0.2403 ( 2285 PWs) bands (ev): 0.0855 0.0855 4.6970 4.6970 6.6078 6.6078 9.2331 9.2331 9.7626 9.7626 10.4163 10.4163 10.9160 10.9160 11.1649 11.1649 11.4513 11.4513 12.6448 12.6448 12.8174 12.8174 12.8620 12.8620 13.1518 13.1518 13.3150 13.3150 13.6042 13.6042 14.5911 14.5911 14.7097 14.7097 16.5633 16.5633 17.6602 17.6602 18.6568 18.6568 18.7969 18.7969 k = 0.0000 0.0000 0.2563 ( 2287 PWs) bands (ev): 0.1205 0.1205 4.6908 4.6908 6.6384 6.6384 9.1704 9.1704 9.7566 9.7566 10.3355 10.3355 10.9268 10.9268 11.1823 11.1823 11.4795 11.4795 12.6348 12.6348 12.8150 12.8150 12.8647 12.8647 13.1345 13.1345 13.3051 13.3051 13.5869 13.5869 14.5256 14.5256 14.7167 14.7167 16.6396 16.6396 17.6978 17.6978 18.5837 18.5837 18.8134 18.8134 k = 0.0000 0.0000 0.2723 ( 2283 PWs) bands (ev): 0.1573 0.1573 4.6846 4.6846 6.6697 6.6697 9.1077 9.1077 9.7507 9.7507 10.2528 10.2528 10.9389 10.9389 11.1997 11.1997 11.5066 11.5066 12.6230 12.6230 12.8107 12.8107 12.8694 12.8694 13.1168 13.1168 13.2942 13.2942 13.5691 13.5691 14.4631 14.4631 14.7272 14.7272 16.7192 16.7192 17.7338 17.7338 18.5118 18.5118 18.8312 18.8312 k = 0.0000 0.0000 0.2884 ( 2285 PWs) bands (ev): 0.1956 0.1956 4.6785 4.6785 6.7014 6.7014 9.0457 9.0457 9.7449 9.7449 10.1686 10.1686 10.9524 10.9524 11.2171 11.2171 11.5321 11.5321 12.6091 12.6091 12.8047 12.8047 12.8755 12.8755 13.0987 13.0987 13.2822 13.2822 13.5508 13.5508 14.4064 14.4064 14.7386 14.7386 16.8018 16.8018 17.7685 17.7685 18.4445 18.4445 18.8476 18.8476 k = 0.0000 0.0000 0.3044 ( 2289 PWs) bands (ev): 0.2356 0.2356 4.6726 4.6726 6.7333 6.7333 8.9849 8.9849 9.7393 9.7393 10.0832 10.0832 10.9672 10.9672 11.2344 11.2344 11.5558 11.5558 12.5929 12.5929 12.7973 12.7973 12.8825 12.8825 13.0802 13.0802 13.2695 13.2695 13.5322 13.5322 14.3561 14.3561 14.7501 14.7501 16.8869 16.8869 17.8024 17.8024 18.3826 18.3826 18.8621 18.8621 k = 0.0000 0.0000 0.3204 ( 2295 PWs) bands (ev): 0.2769 0.2769 4.6668 4.6668 6.7649 6.7649 8.9261 8.9261 9.7338 9.7338 9.9970 9.9970 10.9832 10.9832 11.2515 11.2515 11.5773 11.5773 12.5744 12.5744 12.7886 12.7886 12.8902 12.8902 13.0617 13.0617 13.2564 13.2564 13.5132 13.5132 14.3126 14.3126 14.7616 14.7616 16.9744 16.9744 17.8357 17.8357 18.3268 18.3268 18.8746 18.8746 k = 0.0000 0.0000 0.3364 ( 2291 PWs) bands (ev): 0.3196 0.3196 4.6612 4.6612 6.7959 6.7959 8.8699 8.8699 9.7286 9.7286 9.9102 9.9102 11.0004 11.0004 11.2685 11.2685 11.5962 11.5962 12.5534 12.5534 12.7786 12.7786 12.8983 12.8983 13.0432 13.0432 13.2433 13.2433 13.4942 13.4942 14.2758 14.2758 14.7730 14.7730 17.0638 17.0638 17.8685 17.8685 18.2775 18.2775 18.8850 18.8850 k = 0.0000 0.0000 0.3524 ( 2291 PWs) bands (ev): 0.3634 0.3634 4.6560 4.6560 6.8258 6.8258 8.8171 8.8171 9.7236 9.7236 9.8232 9.8232 11.0188 11.0188 11.2850 11.2850 11.6123 11.6123 12.5299 12.5299 12.7674 12.7674 12.9066 12.9066 13.0247 13.0247 13.2305 13.2305 13.4752 13.4752 14.2455 14.2455 14.7839 14.7839 17.1549 17.1549 17.9011 17.9011 18.2348 18.2348 18.8933 18.8933 k = 0.0000 0.0000 0.3685 ( 2291 PWs) bands (ev): 0.4083 0.4083 4.6511 4.6511 6.8542 6.8542 8.7682 8.7682 9.7177 9.7177 9.7374 9.7374 11.0382 11.0382 11.3011 11.3011 11.6253 11.6253 12.5039 12.5039 12.7548 12.7548 12.9150 12.9150 13.0066 13.0066 13.2182 13.2182 13.4563 13.4563 14.2216 14.2216 14.7945 14.7945 17.2472 17.2472 17.9335 17.9335 18.1991 18.1991 18.8994 18.8994 k = 0.0000 0.0000 0.3845 ( 2291 PWs) bands (ev): 0.4540 0.4540 4.6465 4.6465 6.8806 6.8806 8.7241 8.7241 9.6481 9.6481 9.7157 9.7157 11.0586 11.0586 11.3166 11.3166 11.6349 11.6349 12.4756 12.4756 12.7408 12.7408 12.9233 12.9233 12.9889 12.9889 13.2068 13.2068 13.4375 13.4375 14.2038 14.2038 14.8046 14.8046 17.3404 17.3404 17.9658 17.9658 18.1704 18.1704 18.9033 18.9033 k = 0.0000 0.0000 0.4005 ( 2287 PWs) bands (ev): 0.5005 0.5005 4.6424 4.6424 6.9047 6.9047 8.6854 8.6854 9.5617 9.5617 9.7117 9.7117 11.0800 11.0800 11.3314 11.3314 11.6410 11.6410 12.4451 12.4451 12.7253 12.7253 12.9308 12.9308 12.9721 12.9721 13.1965 13.1965 13.4191 13.4191 14.1918 14.1918 14.8143 14.8143 17.4341 17.4341 17.9981 17.9981 18.1491 18.1491 18.9047 18.9047 k = 0.0000 0.0000 0.4165 ( 2279 PWs) bands (ev): 0.5477 0.5477 4.6387 4.6387 6.9259 6.9259 8.6527 8.6527 9.4756 9.4756 9.7084 9.7084 11.1021 11.1021 11.3456 11.3456 11.6435 11.6435 12.4129 12.4129 12.7083 12.7083 12.9359 12.9359 12.9581 12.9581 13.1875 13.1875 13.4012 13.4012 14.1851 14.1851 14.8235 14.8235 17.5278 17.5278 18.0304 18.0304 18.1349 18.1349 18.9034 18.9034 k = 0.0000 0.0000 0.4325 ( 2291 PWs) bands (ev): 0.5952 0.5952 4.6356 4.6356 6.9440 6.9440 8.6264 8.6264 9.3903 9.3903 9.7055 9.7055 11.1250 11.1250 11.3589 11.3589 11.6423 11.6423 12.3790 12.3790 12.6896 12.6896 12.9306 12.9306 12.9544 12.9544 13.1797 13.1797 13.3838 13.3838 14.1834 14.1834 14.8321 14.8321 17.6210 17.6210 18.0626 18.0626 18.1280 18.1280 18.8989 18.8989 k = 0.0000 0.0000 0.4485 ( 2291 PWs) bands (ev): 0.6431 0.6431 4.6329 4.6329 6.9588 6.9588 8.6071 8.6071 9.3058 9.3058 9.7032 9.7032 11.1485 11.1485 11.3712 11.3712 11.6373 11.6373 12.3440 12.3440 12.6695 12.6695 12.9169 12.9169 12.9591 12.9591 13.1735 13.1735 13.3672 13.3672 14.1862 14.1862 14.8403 14.8403 17.7135 17.7135 18.0947 18.0947 18.1284 18.1284 18.8908 18.8908 k = 0.0000 0.0000 0.4646 ( 2291 PWs) bands (ev): 0.6910 0.6910 4.6307 4.6307 6.9702 6.9702 8.5948 8.5948 9.2224 9.2224 9.7013 9.7013 11.1725 11.1725 11.3824 11.3824 11.6287 11.6287 12.3080 12.3080 12.6480 12.6480 12.9019 12.9019 12.9649 12.9649 13.1687 13.1687 13.3515 13.3515 14.1931 14.1931 14.8480 14.8480 17.8045 17.8045 18.1250 18.1250 18.1375 18.1375 18.8786 18.8786 k = 0.0000 0.0000 0.4806 ( 2291 PWs) bands (ev): 0.7389 0.7389 4.6291 4.6291 6.9783 6.9783 8.5896 8.5896 9.1402 9.1402 9.7000 9.7000 11.1968 11.1968 11.3924 11.3924 11.6166 11.6166 12.2715 12.2715 12.6251 12.6251 12.8870 12.8870 12.9703 12.9703 13.1653 13.1653 13.3369 13.3369 14.2037 14.2037 14.8553 14.8553 17.8937 17.8937 18.1451 18.1451 18.1631 18.1631 18.8613 18.8613 k = 0.0000 0.0000 0.4966 ( 2291 PWs) bands (ev): 0.7865 0.7865 4.6281 4.6281 6.9833 6.9833 8.5913 8.5913 9.0594 9.0594 9.6991 9.6991 11.2211 11.2211 11.4012 11.4012 11.6012 11.6012 12.2346 12.2346 12.6011 12.6011 12.8724 12.8724 12.9749 12.9749 13.1633 13.1633 13.3235 13.3235 14.2177 14.2177 14.8620 14.8620 17.9802 17.9802 18.1645 18.1645 18.1954 18.1954 18.8382 18.8382 k = 0.0000 0.0000 0.5126 ( 2291 PWs) bands (ev): 0.8337 0.8337 4.6276 4.6276 6.9856 6.9856 8.5996 8.5996 8.9800 8.9800 9.6988 9.6988 11.2453 11.2453 11.4085 11.4085 11.5829 11.5829 12.1977 12.1977 12.5761 12.5761 12.8584 12.8584 12.9786 12.9786 13.1625 13.1625 13.3113 13.3113 14.2346 14.2346 14.8684 14.8684 18.0633 18.0633 18.1880 18.1880 18.2289 18.2289 18.8084 18.8084 k = 0.0000 0.0000 0.5286 ( 2281 PWs) bands (ev): 0.8803 0.8803 4.6277 4.6277 6.9858 6.9858 8.6139 8.6139 8.9022 8.9022 9.6989 9.6989 11.2689 11.2689 11.4143 11.4143 11.5623 11.5623 12.1611 12.1611 12.5503 12.5503 12.8448 12.8448 12.9812 12.9812 13.1628 13.1628 13.3006 13.3006 14.2542 14.2542 14.8743 14.8743 18.1414 18.1414 18.2150 18.2150 18.2639 18.2639 18.7713 18.7713 k = 0.0000 0.0000 0.5447 ( 2281 PWs) bands (ev): 0.9261 0.9261 4.6284 4.6284 6.9846 6.9846 8.6336 8.6336 8.8262 8.8262 9.6996 9.6996 11.2910 11.2910 11.4186 11.4186 11.5400 11.5400 12.1250 12.1250 12.5238 12.5238 12.8318 12.8318 12.9825 12.9825 13.1640 13.1640 13.2913 13.2913 14.2760 14.2760 14.8797 14.8797 18.2107 18.2107 18.2450 18.2450 18.3024 18.3024 18.7264 18.7264 k = 0.0000 0.0000 0.5607 ( 2281 PWs) bands (ev): 0.9710 0.9710 4.6296 4.6296 6.9825 6.9825 8.6579 8.6579 8.7519 8.7519 9.7007 9.7007 11.3104 11.3104 11.4214 11.4214 11.5174 11.5174 12.0896 12.0896 12.4967 12.4967 12.8193 12.8193 12.9826 12.9826 13.1661 13.1661 13.2836 13.2836 14.2997 14.2997 14.8848 14.8848 18.2599 18.2599 18.2814 18.2814 18.3489 18.3489 18.6745 18.6745 k = 0.0000 0.0000 0.5767 ( 2277 PWs) bands (ev): 1.0148 1.0148 4.6314 4.6314 6.9803 6.9803 8.6794 8.6794 8.6861 8.6861 9.7022 9.7022 11.3246 11.3246 11.4231 11.4231 11.4967 11.4967 12.0552 12.0552 12.4694 12.4694 12.8074 12.8074 12.9815 12.9815 13.1688 13.1688 13.2772 13.2772 14.3250 14.3250 14.8895 14.8895 18.2870 18.2870 18.3201 18.3201 18.4052 18.4052 18.6172 18.6172 k = 0.0000 0.0000 0.5927 ( 2275 PWs) bands (ev): 1.0573 1.0573 4.6337 4.6337 6.9787 6.9787 8.6091 8.6091 8.7173 8.7173 9.7042 9.7042 11.3295 11.3295 11.4238 11.4238 11.4819 11.4819 12.0219 12.0219 12.4419 12.4419 12.7962 12.7962 12.9794 12.9794 13.1722 13.1722 13.2722 13.2722 14.3517 14.3517 14.8938 14.8938 18.3024 18.3024 18.3501 18.3501 18.4656 18.4656 18.5590 18.5590 k = 0.0000 0.0000 0.6087 ( 2271 PWs) bands (ev): 1.0984 1.0984 4.6365 4.6365 6.9782 6.9782 8.5407 8.5407 8.7508 8.7508 9.7067 9.7067 11.3220 11.3220 11.4214 11.4214 11.4783 11.4783 11.9899 11.9899 12.4145 12.4145 12.7857 12.7857 12.9763 12.9763 13.1760 13.1760 13.2683 13.2683 14.3792 14.3792 14.8978 14.8978 18.3041 18.3041 18.3668 18.3668 18.5050 18.5050 18.5293 18.5293 k = 0.0000 0.0000 0.6248 ( 2275 PWs) bands (ev): 1.1380 1.1380 4.6398 4.6398 6.9794 6.9794 8.4745 8.4745 8.7858 8.7858 9.7094 9.7094 11.3025 11.3025 11.4145 11.4145 11.4869 11.4869 11.9594 11.9594 12.3872 12.3872 12.7760 12.7760 12.9724 12.9724 13.1803 13.1803 13.2654 13.2654 14.4073 14.4073 14.9015 14.9015 18.2879 18.2879 18.3561 18.3561 18.4850 18.4850 18.5841 18.5841 k = 0.0000 0.0000 0.6408 ( 2279 PWs) bands (ev): 1.1759 1.1759 4.6435 4.6435 6.9827 6.9827 8.4105 8.4105 8.8216 8.8216 9.7125 9.7125 11.2747 11.2747 11.4045 11.4045 11.5028 11.5028 11.9306 11.9306 12.3602 12.3602 12.7670 12.7670 12.9678 12.9678 13.1848 13.1848 13.2633 13.2633 14.4358 14.4358 14.9049 14.9049 18.2519 18.2519 18.3188 18.3188 18.4940 18.4940 18.6374 18.6374 k = 0.0000 0.0000 0.6568 ( 2283 PWs) bands (ev): 1.2120 1.2120 4.6476 4.6476 6.9886 6.9886 8.3488 8.3488 8.8575 8.8575 9.7160 9.7160 11.2419 11.2419 11.3923 11.3923 11.5221 11.5221 11.9034 11.9034 12.3336 12.3336 12.7590 12.7590 12.9629 12.9629 13.1897 13.1897 13.2618 13.2618 14.4642 14.4642 14.9079 14.9079 18.2015 18.2015 18.2712 18.2712 18.5154 18.5154 18.6870 18.6870 k = 0.0000 0.0000 0.6728 ( 2283 PWs) bands (ev): 1.2462 1.2462 4.6521 4.6521 6.9974 6.9974 8.2894 8.2894 8.8929 8.8929 9.7196 9.7196 11.2060 11.2060 11.3781 11.3781 11.5428 11.5428 11.8782 11.8782 12.3074 12.3074 12.7520 12.7520 12.9577 12.9577 13.1947 13.1947 13.2607 13.2607 14.4923 14.4923 14.9107 14.9107 18.1462 18.1462 18.2174 18.2174 18.5404 18.5404 18.7327 18.7327 k = 0.0000 0.0000 0.6888 ( 2283 PWs) bands (ev): 1.2786 1.2786 4.6570 4.6570 7.0092 7.0092 8.2324 8.2324 8.9271 8.9271 9.7236 9.7236 11.1685 11.1685 11.3619 11.3619 11.5638 11.5638 11.8549 11.8549 12.2819 12.2819 12.7460 12.7460 12.9524 12.9524 13.1999 13.1999 13.2597 13.2597 14.5198 14.5198 14.9133 14.9133 18.0919 18.0919 18.1585 18.1585 18.5665 18.5665 18.7744 18.7744 k = 0.0000 0.0000 0.7049 ( 2283 PWs) bands (ev): 1.3089 1.3089 4.6621 4.6621 7.0242 7.0242 8.1779 8.1779 8.9595 8.9595 9.7277 9.7277 11.1300 11.1300 11.3437 11.3437 11.5845 11.5845 11.8335 11.8335 12.2571 12.2571 12.7411 12.7411 12.9472 12.9472 13.2051 13.2051 13.2588 13.2588 14.5464 14.5464 14.9156 14.9156 18.0405 18.0405 18.0977 18.0977 18.5926 18.5926 18.8124 18.8124 k = 0.0000 0.0000 0.7209 ( 2285 PWs) bands (ev): 1.3373 1.3373 4.6674 4.6674 7.0425 7.0425 8.1259 8.1259 8.9898 8.9898 9.7319 9.7319 11.0912 11.0912 11.3238 11.3238 11.6046 11.6046 11.8141 11.8141 12.2331 12.2331 12.7372 12.7372 12.9422 12.9422 13.2103 13.2103 13.2578 13.2578 14.5718 14.5718 14.9177 14.9177 17.9890 17.9890 18.0420 18.0420 18.6184 18.6184 18.8468 18.8468 k = 0.0000 0.0000 0.7369 ( 2289 PWs) bands (ev): 1.3636 1.3636 4.6729 4.6729 7.0640 7.0640 8.0765 8.0765 9.0173 9.0173 9.7362 9.7362 11.0525 11.0525 11.3023 11.3023 11.6239 11.6239 11.7966 11.7966 12.2101 12.2101 12.7345 12.7345 12.9375 12.9375 13.2155 13.2155 13.2567 13.2567 14.5957 14.5957 14.9196 14.9196 17.9308 17.9308 18.0008 18.0008 18.6437 18.6437 18.8777 18.8777 k = 0.0000 0.0000 0.7529 ( 2285 PWs) bands (ev): 1.3879 1.3879 4.6785 4.6785 7.0887 7.0887 8.0296 8.0296 9.0418 9.0418 9.7406 9.7406 11.0144 11.0144 11.2796 11.2796 11.6422 11.6422 11.7810 11.7810 12.1880 12.1880 12.7329 12.7329 12.9332 12.9332 13.2205 13.2205 13.2555 13.2555 14.6179 14.6179 14.9214 14.9214 17.8664 17.8664 17.9754 17.9754 18.6685 18.6685 18.9056 18.9056 k = 0.0000 0.0000 0.7689 ( 2287 PWs) bands (ev): 1.4103 1.4103 4.6842 4.6842 7.1163 7.1163 7.9854 7.9854 9.0628 9.0628 9.7450 9.7450 10.9771 10.9771 11.2560 11.2560 11.6592 11.6592 11.7673 11.7673 12.1669 12.1669 12.7324 12.7324 12.9293 12.9293 13.2254 13.2254 13.2540 13.2540 14.6382 14.6382 14.9229 14.9229 17.8004 17.8004 17.9630 17.9630 18.6928 18.6928 18.9306 18.9306 k = 0.0000 0.0000 0.7850 ( 2288 PWs) bands (ev): 1.4306 1.4306 4.6899 4.6899 7.1467 7.1467 7.9439 7.9439 9.0802 9.0802 9.7494 9.7494 10.9408 10.9408 11.2319 11.2319 11.6749 11.6749 11.7553 11.7553 12.1469 12.1469 12.7329 12.7329 12.9258 12.9258 13.2299 13.2299 13.2525 13.2525 14.6567 14.6567 14.9243 14.9243 17.7351 17.7351 17.9621 17.9621 18.7167 18.7167 18.9529 18.9529 k = 0.0000 0.0000 0.8010 ( 2298 PWs) bands (ev): 1.4491 1.4491 4.6955 4.6955 7.1793 7.1793 7.9051 7.9051 9.0937 9.0937 9.7536 9.7536 10.9060 10.9060 11.2076 11.2076 11.6892 11.6892 11.7451 11.7451 12.1280 12.1280 12.7344 12.7344 12.9228 12.9228 13.2337 13.2337 13.2509 13.2509 14.6732 14.6732 14.9255 14.9255 17.6718 17.6718 17.9719 17.9719 18.7403 18.7403 18.9728 18.9728 k = 0.0000 0.0000 0.8170 ( 2298 PWs) bands (ev): 1.4658 1.4658 4.7010 4.7010 7.2140 7.2140 7.8690 7.8690 9.1034 9.1034 9.7578 9.7578 10.8728 10.8728 11.1836 11.1836 11.7017 11.7017 11.7368 11.7368 12.1103 12.1103 12.7367 12.7367 12.9204 12.9204 13.2364 13.2364 13.2502 13.2502 14.6877 14.6877 14.9266 14.9266 17.6113 17.6113 17.9921 17.9921 18.7638 18.7638 18.9906 18.9906 k = 0.0000 0.0000 0.8330 ( 2298 PWs) bands (ev): 1.4807 1.4807 4.7064 4.7064 7.2501 7.2501 7.8357 7.8357 9.1092 9.1092 9.7617 9.7617 10.8414 10.8414 11.1602 11.1602 11.7111 11.7111 11.7317 11.7317 12.0939 12.0939 12.7397 12.7397 12.9184 12.9184 13.2371 13.2371 13.2509 13.2509 14.7003 14.7003 14.9275 14.9275 17.5541 17.5541 18.0218 18.0218 18.7877 18.7877 19.0065 19.0065 k = 0.0000 0.0000 0.8490 ( 2298 PWs) bands (ev): 1.4939 1.4939 4.7115 4.7115 7.2871 7.2871 7.8053 7.8053 9.1113 9.1113 9.7655 9.7655 10.8121 10.8121 11.1378 11.1378 11.7140 11.7140 11.7332 11.7332 12.0788 12.0788 12.7432 12.7432 12.9169 12.9169 13.2360 13.2360 13.2531 13.2531 14.7110 14.7110 14.9283 14.9283 17.5007 17.5007 18.0602 18.0602 18.8124 18.8124 19.0208 19.0208 k = 0.0000 0.0000 0.8651 ( 2298 PWs) bands (ev): 1.5055 1.5055 4.7163 4.7163 7.3243 7.3243 7.7776 7.7776 9.1102 9.1102 9.7690 9.7690 10.7850 10.7850 11.1168 11.1168 11.7113 11.7113 11.7399 11.7399 12.0650 12.0650 12.7472 12.7472 12.9158 12.9158 13.2337 13.2337 13.2559 13.2559 14.7200 14.7200 14.9290 14.9290 17.4515 17.4515 18.1058 18.1058 18.8387 18.8387 19.0337 19.0337 k = 0.0000 0.0000 0.8811 ( 2296 PWs) bands (ev): 1.5157 1.5157 4.7208 4.7208 7.3611 7.3611 7.7528 7.7528 9.1061 9.1061 9.7722 9.7722 10.7603 10.7603 11.0973 11.0973 11.7078 11.7078 11.7473 11.7473 12.0525 12.0525 12.7515 12.7515 12.9150 12.9150 13.2310 13.2310 13.2588 13.2588 14.7275 14.7275 14.9296 14.9296 17.4066 17.4066 18.1570 18.1570 18.8673 18.8673 19.0455 19.0455 k = 0.0000 0.0000 0.8971 ( 2292 PWs) bands (ev): 1.5244 1.5244 4.7248 4.7248 7.3966 7.3966 7.7309 7.7309 9.0998 9.0998 9.7751 9.7751 10.7382 10.7382 11.0797 11.0797 11.7046 11.7046 11.7542 11.7542 12.0415 12.0415 12.7558 12.7558 12.9145 12.9145 13.2282 13.2282 13.2616 13.2616 14.7336 14.7336 14.9302 14.9302 17.3665 17.3665 18.2117 18.2117 18.8992 18.8992 19.0567 19.0567 k = 0.0000 0.0000 0.9131 ( 2288 PWs) bands (ev): 1.5318 1.5318 4.7285 4.7285 7.4300 7.4300 7.7119 7.7119 9.0918 9.0918 9.7777 9.7777 10.7187 10.7187 11.0642 11.0642 11.7020 11.7020 11.7601 11.7601 12.0319 12.0319 12.7600 12.7600 12.9142 12.9142 13.2254 13.2254 13.2641 13.2641 14.7386 14.7386 14.9307 14.9307 17.3313 17.3313 18.2670 18.2670 18.9353 18.9353 19.0686 19.0686 k = 0.0000 0.0000 0.9291 ( 2284 PWs) bands (ev): 1.5379 1.5379 4.7316 4.7316 7.4603 7.4603 7.6957 7.6957 9.0831 9.0831 9.7799 9.7799 10.7021 10.7021 11.0508 11.0508 11.6999 11.6999 11.7651 11.7651 12.0237 12.0237 12.7639 12.7639 12.9141 12.9141 13.2228 13.2228 13.2663 13.2663 14.7424 14.7424 14.9310 14.9310 17.3012 17.3012 18.3199 18.3199 18.9746 18.9746 19.0837 19.0837 k = 0.0000 0.0000 0.9452 ( 2284 PWs) bands (ev): 1.5428 1.5428 4.7342 4.7342 7.4868 7.4868 7.6825 7.6825 9.0743 9.0743 9.7818 9.7818 10.6883 10.6883 11.0398 11.0398 11.6984 11.6984 11.7690 11.7690 12.0169 12.0169 12.7674 12.7674 12.9140 12.9140 13.2205 13.2205 13.2681 13.2681 14.7454 14.7454 14.9313 14.9313 17.2763 17.2763 18.3672 18.3672 19.0116 19.0116 19.1093 19.1093 k = 0.0000 0.0000 0.9612 ( 2270 PWs) bands (ev): 1.5465 1.5465 4.7363 4.7363 7.5084 7.5084 7.6722 7.6722 9.0664 9.0664 9.7832 9.7832 10.6775 10.6775 11.0311 11.0311 11.6972 11.6972 11.7722 11.7722 12.0118 12.0118 12.7702 12.7702 12.9141 12.9141 13.2187 13.2187 13.2695 13.2695 14.7476 14.7476 14.9316 14.9316 17.2568 17.2568 18.4060 18.4060 19.0365 19.0365 19.1553 19.1553 k = 0.0000 0.0000 0.9772 ( 2274 PWs) bands (ev): 1.5491 1.5491 4.7378 4.7378 7.5245 7.5245 7.6649 7.6649 9.0602 9.0602 9.7843 9.7843 10.6697 10.6697 11.0249 11.0249 11.6965 11.6965 11.7743 11.7743 12.0081 12.0081 12.7723 12.7723 12.9142 12.9142 13.2173 13.2173 13.2705 13.2705 14.7490 14.7490 14.9317 14.9317 17.2429 17.2429 18.4346 18.4346 19.0491 19.0491 19.2194 19.2194 k = 0.0000 0.0000 0.9932 ( 2274 PWs) bands (ev): 1.5507 1.5507 4.7387 4.7387 7.5344 7.5344 7.6605 7.6605 9.0562 9.0562 9.7849 9.7849 10.6651 10.6651 11.0211 11.0211 11.6960 11.6960 11.7756 11.7756 12.0058 12.0058 12.7736 12.7736 12.9142 12.9142 13.2164 13.2164 13.2712 13.2712 14.7499 14.7499 14.9318 14.9318 17.2344 17.2344 18.4520 18.4520 19.0548 19.0548 19.2879 19.2879 k = 0.0000 0.0000 1.0092 ( 2274 PWs) bands (ev): 1.5512 1.5512 4.7390 4.7390 7.5378 7.5378 7.6590 7.6590 9.0548 9.0548 9.7851 9.7851 10.6635 10.6635 11.0199 11.0199 11.6959 11.6959 11.7761 11.7761 12.0050 12.0050 12.7740 12.7740 12.9143 12.9143 13.2162 13.2162 13.2714 13.2714 14.7501 14.7501 14.9318 14.9318 17.2316 17.2316 18.4578 18.4578 19.0564 19.0564 19.3281 19.3281 k = 0.0000 0.0000 1.0092 ( 2274 PWs) bands (ev): 1.5512 1.5512 4.7390 4.7390 7.5378 7.5378 7.6590 7.6590 9.0548 9.0548 9.7851 9.7851 10.6635 10.6635 11.0199 11.0199 11.6959 11.6959 11.7761 11.7761 12.0050 12.0050 12.7740 12.7740 12.9143 12.9143 13.2162 13.2162 13.2714 13.2714 14.7501 14.7501 14.9318 14.9318 17.2316 17.2316 18.4578 18.4578 19.0564 19.0564 19.3281 19.3281 k =-0.0074 0.0130 1.0092 ( 2274 PWs) bands (ev): 1.5515 1.5515 4.7355 4.7355 7.5387 7.5387 7.6631 7.6631 9.0542 9.0542 9.7830 9.7830 10.6631 10.6631 11.0208 11.0208 11.6963 11.6963 11.7745 11.7745 12.0052 12.0052 12.7735 12.7735 12.9155 12.9155 13.2160 13.2160 13.2737 13.2737 14.7501 14.7501 14.9324 14.9324 17.2313 17.2313 18.4552 18.4552 19.0487 19.0487 19.3282 19.3282 k =-0.0148 0.0259 1.0092 ( 2274 PWs) bands (ev): 1.5524 1.5524 4.7250 4.7250 7.5416 7.5416 7.6754 7.6754 9.0524 9.0524 9.7766 9.7766 10.6618 10.6618 11.0236 11.0236 11.6977 11.6977 11.7700 11.7700 12.0058 12.0058 12.7719 12.7719 12.9191 12.9191 13.2157 13.2157 13.2805 13.2805 14.7500 14.7500 14.9341 14.9341 17.2305 17.2305 18.4475 18.4475 19.0269 19.0269 19.3302 19.3302 k =-0.0222 0.0389 1.0092 ( 2274 PWs) bands (ev): 1.5537 1.5537 4.7078 4.7078 7.5464 7.5464 7.6955 7.6955 9.0495 9.0495 9.7661 9.7661 10.6596 10.6596 11.0281 11.0281 11.7000 11.7000 11.7626 11.7626 12.0067 12.0067 12.7694 12.7694 12.9251 12.9251 13.2154 13.2154 13.2917 13.2917 14.7499 14.7499 14.9370 14.9370 17.2292 17.2292 18.4347 18.4347 18.9943 18.9943 19.3357 19.3357 k =-0.0296 0.0518 1.0092 ( 2270 PWs) bands (ev): 1.5556 1.5556 4.6841 4.6841 7.5530 7.5530 7.7233 7.7233 9.0452 9.0452 9.7519 9.7519 10.6565 10.6565 11.0343 11.0343 11.7031 11.7031 11.7527 11.7527 12.0077 12.0077 12.7663 12.7663 12.9335 12.9335 13.2149 13.2149 13.3070 13.3070 14.7497 14.7497 14.9411 14.9411 17.2274 17.2274 18.4167 18.4167 18.9542 18.9542 19.3436 19.3436 k =-0.0370 0.0648 1.0092 ( 2270 PWs) bands (ev): 1.5580 1.5580 4.6544 4.6544 7.5616 7.5616 7.7582 7.7582 9.0396 9.0396 9.7342 9.7342 10.6526 10.6526 11.0422 11.0422 11.7068 11.7068 11.7407 11.7407 12.0085 12.0085 12.7628 12.7628 12.9442 12.9442 13.2144 13.2144 13.3261 13.3261 14.7495 14.7495 14.9464 14.9464 17.2251 17.2251 18.3935 18.3935 18.9091 18.9091 19.3514 19.3514 k =-0.0444 0.0778 1.0092 ( 2270 PWs) bands (ev): 1.5609 1.5609 4.6191 4.6191 7.5720 7.5720 7.7997 7.7997 9.0325 9.0325 9.7135 9.7135 10.6478 10.6478 11.0515 11.0515 11.7101 11.7101 11.7280 11.7280 12.0090 12.0090 12.7590 12.7590 12.9572 12.9572 13.2138 13.2138 13.3489 13.3489 14.7493 14.7493 14.9530 14.9530 17.2223 17.2223 18.3650 18.3650 18.8606 18.8606 19.3562 19.3562 k =-0.0517 0.0907 1.0092 ( 2268 PWs) bands (ev): 1.5641 1.5641 4.5788 4.5788 7.5843 7.5843 7.8472 7.8472 9.0238 9.0238 9.6904 9.6904 10.6422 10.6422 11.0622 11.0622 11.7043 11.7043 11.7233 11.7233 12.0090 12.0090 12.7555 12.7555 12.9726 12.9726 13.2131 13.2131 13.3750 13.3750 14.7490 14.7490 14.9610 14.9610 17.2192 17.2192 18.3313 18.3313 18.8099 18.8099 19.3551 19.3551 k =-0.0591 0.1037 1.0092 ( 2268 PWs) bands (ev): 1.5678 1.5678 4.5339 4.5339 7.5985 7.5985 7.9000 7.9000 9.0134 9.0134 9.6653 9.6653 10.6357 10.6357 11.0741 11.0741 11.6880 11.6880 11.7284 11.7284 12.0084 12.0084 12.7524 12.7524 12.9902 12.9902 13.2124 13.2124 13.4042 13.4042 14.7488 14.7488 14.9704 14.9704 17.2157 17.2157 18.2923 18.2923 18.7575 18.7575 19.3460 19.3460 k =-0.0665 0.1167 1.0092 ( 2268 PWs) bands (ev): 1.5717 1.5717 4.4852 4.4852 7.6146 7.6146 7.9577 7.9577 9.0011 9.0011 9.6390 9.6390 10.6284 10.6284 11.0871 11.0871 11.6689 11.6689 11.7359 11.7359 12.0070 12.0070 12.7498 12.7498 13.0101 13.0101 13.2116 13.2116 13.4363 13.4363 14.7485 14.7485 14.9814 14.9814 17.2118 17.2118 18.2482 18.2482 18.7039 18.7039 19.3286 19.3286 k =-0.0739 0.1296 1.0092 ( 2276 PWs) bands (ev): 1.5759 1.5759 4.4330 4.4330 7.6324 7.6324 8.0194 8.0194 8.9867 8.9867 9.6120 9.6120 10.6203 10.6203 11.1012 11.1012 11.6482 11.6482 11.7446 11.7446 12.0047 12.0047 12.7479 12.7479 13.0321 13.0321 13.2107 13.2107 13.4711 13.4711 14.7482 14.7482 14.9941 14.9941 17.2077 17.2077 18.1991 18.1991 18.6493 18.6493 19.3036 19.3036 k =-0.0813 0.1426 1.0092 ( 2272 PWs) bands (ev): 1.5802 1.5802 4.3778 4.3778 7.6521 7.6521 8.0848 8.0848 8.9700 8.9700 9.5850 9.5850 10.6114 10.6114 11.1162 11.1162 11.6264 11.6264 11.7545 11.7545 12.0016 12.0016 12.7470 12.7470 13.0566 13.0566 13.2097 13.2097 13.5084 13.5084 14.7479 14.7479 15.0085 15.0085 17.2034 17.2034 18.1452 18.1452 18.5939 18.5939 19.2722 19.2722 k =-0.0813 0.1426 1.0092 ( 2272 PWs) bands (ev): 1.5802 1.5802 4.3778 4.3778 7.6521 7.6521 8.0848 8.0848 8.9700 8.9700 9.5850 9.5850 10.6114 10.6114 11.1162 11.1162 11.6264 11.6264 11.7545 11.7545 12.0016 12.0016 12.7470 12.7470 13.0566 13.0566 13.2097 13.2097 13.5084 13.5084 14.7479 14.7479 15.0085 15.0085 17.2034 17.2034 18.1452 18.1452 18.5939 18.5939 19.2722 19.2722 k =-0.0870 0.1525 0.9978 ( 2267 PWs) bands (ev): 1.5834 1.5834 4.3339 4.3339 7.6662 7.6662 8.1373 8.1373 8.9571 8.9571 9.5645 9.5645 10.6048 10.6048 11.1289 11.1289 11.6090 11.6090 11.7628 11.7628 11.9988 11.9988 12.7468 12.7468 13.0764 13.0764 13.2094 13.2094 13.5384 13.5384 14.7477 14.7477 15.0210 15.0210 17.2012 17.2012 18.0993 18.0993 18.5503 18.5503 19.2351 19.2351 k =-0.0926 0.1624 0.9864 ( 2269 PWs) bands (ev): 1.5862 1.5862 4.2889 4.2889 7.6767 7.6767 8.1924 8.1924 8.9458 8.9458 9.5439 9.5439 10.5992 10.5992 11.1433 11.1433 11.5911 11.5911 11.7718 11.7718 11.9961 11.9961 12.7467 12.7467 13.0958 13.0958 13.2100 13.2100 13.5693 13.5693 14.7475 14.7475 15.0349 15.0349 17.2013 17.2013 18.0484 18.0484 18.5047 18.5047 19.1808 19.1808 k =-0.0983 0.1723 0.9750 ( 2273 PWs) bands (ev): 1.5887 1.5887 4.2429 4.2429 7.6833 7.6833 8.2496 8.2496 8.9368 8.9368 9.5234 9.5234 10.5945 10.5945 11.1593 11.1593 11.5726 11.5726 11.7816 11.7816 11.9934 11.9934 12.7469 12.7469 13.1138 13.1138 13.2126 13.2126 13.6010 13.6010 14.7475 14.7475 15.0504 15.0504 17.2037 17.2037 17.9936 17.9936 18.4573 18.4573 19.1162 19.1162 k =-0.1040 0.1823 0.9636 ( 2275 PWs) bands (ev): 1.5908 1.5908 4.1964 4.1964 7.6856 7.6856 8.3087 8.3087 8.9303 8.9303 9.5032 9.5032 10.5906 10.5906 11.1769 11.1769 11.5540 11.5540 11.7922 11.7922 11.9906 11.9906 12.7472 12.7472 13.1288 13.1288 13.2184 13.2184 13.6334 13.6334 14.7476 14.7476 15.0677 15.0677 17.2083 17.2083 17.9360 17.9360 18.4082 18.4082 19.0463 19.0463 k =-0.1096 0.1922 0.9521 ( 2275 PWs) bands (ev): 1.5927 1.5927 4.1494 4.1494 7.6834 7.6834 8.3693 8.3693 8.9268 8.9268 9.4832 9.4832 10.5874 10.5874 11.1960 11.1960 11.5352 11.5352 11.8036 11.8036 11.9878 11.9878 12.7478 12.7478 13.1392 13.1392 13.2288 13.2288 13.6664 13.6664 14.7482 14.7482 15.0870 15.0870 17.2148 17.2148 17.8766 17.8766 18.3572 18.3572 18.9741 18.9741 k =-0.1153 0.2021 0.9407 ( 2279 PWs) bands (ev): 1.5942 1.5942 4.1022 4.1022 7.6768 7.6768 8.4312 8.4312 8.9264 8.9264 9.4635 9.4635 10.5850 10.5850 11.2166 11.2166 11.5165 11.5165 11.8158 11.8158 11.9849 11.9849 12.7485 12.7485 13.1444 13.1444 13.2440 13.2440 13.6999 13.6999 14.7491 14.7491 15.1085 15.1085 17.2233 17.2233 17.8162 17.8162 18.3045 18.3045 18.9018 18.9018 k =-0.1209 0.2120 0.9293 ( 2279 PWs) bands (ev): 1.5954 1.5954 4.0551 4.0551 7.6657 7.6657 8.4939 8.4939 8.9292 8.9292 9.4442 9.4442 10.5832 10.5832 11.2385 11.2385 11.4981 11.4981 11.8289 11.8289 11.9818 11.9818 12.7494 12.7494 13.1452 13.1452 13.2626 13.2626 13.7340 13.7340 14.7505 14.7505 15.1324 15.1324 17.2336 17.2336 17.7554 17.7554 18.2503 18.2503 18.8304 18.8304 k =-0.1266 0.2219 0.9179 ( 2281 PWs) bands (ev): 1.5964 1.5964 4.0082 4.0082 7.6504 7.6504 8.5572 8.5572 8.9353 8.9353 9.4255 9.4255 10.5819 10.5819 11.2617 11.2617 11.4803 11.4803 11.8428 11.8428 11.9785 11.9785 12.7504 12.7504 13.1431 13.1431 13.2834 13.2834 13.7685 13.7685 14.7524 14.7524 15.1587 15.1587 17.2455 17.2455 17.6950 17.6950 18.1948 18.1948 18.7608 18.7608 k =-0.1322 0.2319 0.9065 ( 2281 PWs) bands (ev): 1.5971 1.5971 3.9616 3.9616 7.6311 7.6311 8.6209 8.6209 8.9443 8.9443 9.4072 9.4072 10.5810 10.5810 11.2858 11.2858 11.4634 11.4634 11.8576 11.8576 11.9749 11.9749 12.7514 12.7514 13.1389 13.1389 13.3050 13.3050 13.8034 13.8034 14.7547 14.7547 15.1879 15.1879 17.2591 17.2591 17.6352 17.6352 18.1384 18.1384 18.6935 18.6935 k =-0.1379 0.2418 0.8950 ( 2277 PWs) bands (ev): 1.5975 1.5975 3.9157 3.9157 7.6081 7.6081 8.6847 8.6847 8.9560 8.9560 9.3897 9.3897 10.5805 10.5805 11.3106 11.3106 11.4479 11.4479 11.8731 11.8731 11.9711 11.9711 12.7524 12.7524 13.1330 13.1330 13.3265 13.3265 13.8385 13.8385 14.7575 14.7575 15.2200 15.2200 17.2740 17.2740 17.5763 17.5763 18.0818 18.0818 18.6291 18.6291 k =-0.1436 0.2517 0.8836 ( 2278 PWs) bands (ev): 1.5978 1.5978 3.8704 3.8704 7.5819 7.5819 8.7483 8.7483 8.9701 8.9701 9.3729 9.3729 10.5802 10.5802 11.3350 11.3350 11.4350 11.4350 11.8893 11.8893 11.9670 11.9670 12.7534 12.7534 13.1258 13.1258 13.3476 13.3476 13.8737 13.8737 14.7604 14.7604 15.2552 15.2552 17.2903 17.2903 17.5183 17.5183 18.0259 18.0259 18.5677 18.5677 k =-0.1492 0.2616 0.8722 ( 2271 PWs) bands (ev): 1.5978 1.5978 3.8259 3.8259 7.5530 7.5530 8.8114 8.8114 8.9861 8.9861 9.3571 9.3571 10.5800 10.5800 11.3561 11.3561 11.4275 11.4275 11.9061 11.9061 11.9626 11.9626 12.7544 12.7544 13.1174 13.1174 13.3679 13.3679 13.9092 13.9092 14.7635 14.7635 15.2936 15.2936 17.3076 17.3076 17.4614 17.4614 17.9717 17.9717 18.5094 18.5094 k =-0.1549 0.2715 0.8608 ( 2272 PWs) bands (ev): 1.5976 1.5976 3.7824 3.7824 7.5219 7.5219 8.8739 8.8739 9.0035 9.0035 9.3425 9.3425 10.5800 10.5800 11.3673 11.3673 11.4322 11.4322 11.9228 11.9228 11.9586 11.9586 12.7552 12.7552 13.1078 13.1078 13.3871 13.3871 13.9446 13.9446 14.7664 14.7664 15.3353 15.3353 17.3254 17.3254 17.4056 17.4056 17.9207 17.9207 18.4543 18.4543 k =-0.1605 0.2815 0.8494 ( 2278 PWs) bands (ev): 1.5972 1.5972 3.7400 3.7400 7.4889 7.4889 8.9354 8.9354 9.0218 9.0218 9.3293 9.3293 10.5799 10.5799 11.3661 11.3661 11.4516 11.4516 11.9360 11.9360 11.9582 11.9582 12.7559 12.7559 13.0972 13.0972 13.4051 13.4051 13.9800 13.9800 14.7686 14.7686 15.3804 15.3804 17.3334 17.3334 17.3608 17.3608 17.8742 17.8742 18.4024 18.4024 k =-0.1662 0.2914 0.8379 ( 2282 PWs) bands (ev): 1.5966 1.5966 3.6988 3.6988 7.4546 7.4546 8.9953 8.9953 9.0406 9.0406 9.3181 9.3181 10.5797 10.5797 11.3593 11.3593 11.4789 11.4789 11.9373 11.9373 11.9698 11.9698 12.7564 12.7564 13.0855 13.0855 13.4219 13.4219 14.0154 14.0154 14.7700 14.7700 15.4289 15.4289 17.2863 17.2863 17.3714 17.3714 17.8339 17.8339 18.3536 18.3536 k =-0.1718 0.3013 0.8265 ( 2286 PWs) bands (ev): 1.5960 1.5960 3.6588 3.6588 7.4194 7.4194 9.0480 9.0480 9.0645 9.0645 9.3092 9.3092 10.5794 10.5794 11.3515 11.3515 11.5096 11.5096 11.9317 11.9317 11.9882 11.9882 12.7568 12.7568 13.0728 13.0728 13.4375 13.4375 14.0506 14.0506 14.7701 14.7701 15.4810 15.4810 17.2288 17.2288 17.3926 17.3926 17.8011 17.8011 18.3079 18.3079 k =-0.1775 0.3112 0.8151 ( 2288 PWs) bands (ev): 1.5951 1.5951 3.6202 3.6202 7.3837 7.3837 9.0702 9.0702 9.1156 9.1156 9.3035 9.3035 10.5790 10.5790 11.3443 11.3443 11.5421 11.5421 11.9240 11.9240 12.0085 12.0085 12.7571 12.7571 13.0592 13.0592 13.4522 13.4522 14.0855 14.0855 14.7682 14.7682 15.5365 15.5365 17.1693 17.1693 17.4155 17.4155 17.7770 17.7770 18.2652 18.2652 k =-0.1832 0.3211 0.8037 ( 2291 PWs) bands (ev): 1.5942 1.5942 3.5830 3.5830 7.3479 7.3479 9.0838 9.0838 9.1709 9.1709 9.3017 9.3017 10.5785 10.5785 11.3381 11.3381 11.5756 11.5756 11.9151 11.9151 12.0297 12.0297 12.7572 12.7572 13.0445 13.0445 13.4661 13.4661 14.1200 14.1200 14.7640 14.7640 15.5954 15.5954 17.1084 17.1084 17.4396 17.4396 17.7621 17.7621 18.2257 18.2257 k =-0.1888 0.3311 0.7923 ( 2293 PWs) bands (ev): 1.5932 1.5932 3.5474 3.5474 7.3122 7.3122 9.0933 9.0933 9.2245 9.2245 9.3046 9.3046 10.5777 10.5777 11.3334 11.3334 11.6098 11.6098 11.9053 11.9053 12.0516 12.0516 12.7571 12.7571 13.0288 13.0288 13.4795 13.4795 14.1541 14.1541 14.7570 14.7570 15.6576 15.6576 17.0464 17.0464 17.4648 17.4648 17.7569 17.7569 18.1895 18.1895 k =-0.1945 0.3410 0.7808 ( 2293 PWs) bands (ev): 1.5921 1.5921 3.5133 3.5133 7.2769 7.2769 9.0988 9.0988 9.2753 9.2753 9.3130 9.3130 10.5769 10.5769 11.3302 11.3302 11.6444 11.6444 11.8945 11.8945 12.0739 12.0739 12.7570 12.7570 13.0121 13.0121 13.4928 13.4928 14.1877 14.1877 14.7468 14.7468 15.7229 15.7229 16.9840 16.9840 17.4911 17.4911 17.7610 17.7610 18.1570 18.1570 k =-0.2001 0.3509 0.7694 ( 2295 PWs) bands (ev): 1.5910 1.5910 3.4809 3.4809 7.2425 7.2425 9.1005 9.1005 9.3144 9.3144 9.3349 9.3349 10.5759 10.5759 11.3286 11.3286 11.6792 11.6792 11.8829 11.8829 12.0966 12.0966 12.7567 12.7567 12.9944 12.9944 13.5064 13.5064 14.2206 14.2206 14.7329 14.7329 15.7910 15.7910 16.9218 16.9218 17.5184 17.5184 17.7735 17.7735 18.1287 18.1287 k =-0.2058 0.3608 0.7580 ( 2299 PWs) bands (ev): 1.5898 1.5898 3.4502 3.4502 7.2090 7.2090 9.0991 9.0991 9.3335 9.3335 9.3779 9.3779 10.5749 10.5749 11.3286 11.3286 11.7137 11.7137 11.8704 11.8704 12.1195 12.1195 12.7563 12.7563 12.9757 12.9757 13.5207 13.5207 14.2526 14.2526 14.7150 14.7150 15.8618 15.8618 16.8606 16.8606 17.5468 17.5468 17.7928 17.7928 18.1059 18.1059 k =-0.2115 0.3707 0.7466 ( 2299 PWs) bands (ev): 1.5886 1.5886 3.4212 3.4212 7.1768 7.1768 9.0954 9.0954 9.3510 9.3510 9.4221 9.4221 10.5739 10.5739 11.3302 11.3302 11.7476 11.7476 11.8574 11.8574 12.1425 12.1425 12.7559 12.7559 12.9560 12.9560 13.5361 13.5361 14.2837 14.2837 14.6930 14.6930 15.9349 15.9349 16.8010 16.8010 17.5763 17.5763 17.8163 17.8163 18.0909 18.0909 k =-0.2171 0.3807 0.7352 ( 2303 PWs) bands (ev): 1.5874 1.5874 3.3941 3.3941 7.1460 7.1460 9.0903 9.0903 9.3694 9.3694 9.4642 9.4642 10.5730 10.5730 11.3333 11.3333 11.7801 11.7801 11.8444 11.8444 12.1656 12.1656 12.7554 12.7554 12.9354 12.9354 13.5531 13.5531 14.3137 14.3137 14.6668 14.6668 16.0098 16.0098 16.7437 16.7437 17.6069 17.6069 17.8395 17.8395 18.0874 18.0874 k =-0.2228 0.3906 0.7237 ( 2297 PWs) bands (ev): 1.5862 1.5862 3.3688 3.3688 7.1168 7.1168 9.0844 9.0844 9.3882 9.3882 9.5036 9.5036 10.5722 10.5722 11.3378 11.3378 11.8064 11.8064 11.8360 11.8360 12.1888 12.1888 12.7549 12.7549 12.9139 12.9139 13.5722 13.5722 14.3424 14.3424 14.6364 14.6364 16.0861 16.0861 16.6894 16.6894 17.6384 17.6384 17.8569 17.8569 18.1003 18.1003 k =-0.2284 0.4005 0.7123 ( 2295 PWs) bands (ev): 1.5851 1.5851 3.3454 3.3454 7.0894 7.0894 9.0780 9.0780 9.4070 9.4070 9.5402 9.5402 10.5715 10.5715 11.3438 11.3438 11.8059 11.8059 11.8525 11.8525 12.2119 12.2119 12.7544 12.7544 12.8915 12.8915 13.5935 13.5935 14.3695 14.3695 14.6021 14.6021 16.1631 16.1631 16.6384 16.6384 17.6707 17.6707 17.8649 17.8649 18.1328 18.1328 k =-0.2341 0.4104 0.7009 ( 2291 PWs) bands (ev): 1.5840 1.5840 3.3239 3.3239 7.0639 7.0639 9.0716 9.0716 9.4252 9.4252 9.5737 9.5737 10.5710 10.5710 11.3509 11.3509 11.7921 11.7921 11.8804 11.8804 12.2351 12.2351 12.7539 12.7539 12.8683 12.8683 13.6175 13.6175 14.3946 14.3946 14.5642 14.5642 16.2401 16.2401 16.5912 16.5912 17.7036 17.7036 17.8645 17.8645 18.1831 18.1831 k =-0.2397 0.4203 0.6895 ( 2291 PWs) bands (ev): 1.5829 1.5829 3.3044 3.3044 7.0405 7.0405 9.0654 9.0654 9.4426 9.4426 9.6042 9.6042 10.5707 10.5707 11.3590 11.3590 11.7764 11.7764 11.9079 11.9079 12.2583 12.2583 12.7533 12.7533 12.8444 12.8444 13.6445 13.6445 14.4168 14.4168 14.5239 14.5239 16.3162 16.3162 16.5483 16.5483 17.7364 17.7364 17.8593 17.8593 18.2471 18.2471 k =-0.2454 0.4303 0.6781 ( 2293 PWs) bands (ev): 1.5820 1.5820 3.2868 3.2868 7.0192 7.0192 9.0595 9.0595 9.4588 9.4588 9.6314 9.6314 10.5706 10.5706 11.3681 11.3681 11.7601 11.7601 11.9336 11.9336 12.2815 12.2815 12.7528 12.7528 12.8201 12.8201 13.6744 13.6744 14.4315 14.4315 14.4859 14.4859 16.3897 16.3897 16.5106 16.5106 17.7679 17.7679 17.8533 17.8533 18.3207 18.3207 k =-0.2511 0.4402 0.6666 ( 2294 PWs) bands (ev): 1.5811 1.5811 3.2713 3.2713 7.0002 7.0002 9.0540 9.0540 9.4737 9.4737 9.6555 9.6555 10.5706 10.5706 11.3777 11.3777 11.7440 11.7440 11.9569 11.9569 12.3047 12.3047 12.7521 12.7521 12.7957 12.7957 13.7075 13.7075 14.4142 14.4142 14.4753 14.4753 16.4501 16.4501 16.4876 16.4876 17.7941 17.7941 17.8519 17.8519 18.4008 18.4008 k =-0.2567 0.4501 0.6552 ( 2294 PWs) bands (ev): 1.5803 1.5803 3.2578 3.2578 6.9836 6.9836 9.0492 9.0492 9.4869 9.4869 9.6763 9.6763 10.5708 10.5708 11.3877 11.3877 11.7282 11.7282 11.9775 11.9775 12.3277 12.3277 12.7509 12.7509 12.7719 12.7719 13.7436 13.7436 14.3697 14.3697 14.4874 14.4874 16.4395 16.4395 16.5362 16.5362 17.8064 17.8064 17.8646 17.8646 18.4832 18.4832 k =-0.2624 0.4600 0.6438 ( 2298 PWs) bands (ev): 1.5796 1.5796 3.2463 3.2463 6.9694 6.9694 9.0450 9.0450 9.4984 9.4984 9.6939 9.6939 10.5711 10.5711 11.3976 11.3976 11.7132 11.7132 11.9951 11.9951 12.3501 12.3501 12.7432 12.7432 12.7554 12.7554 13.7826 13.7826 14.3196 14.3196 14.5012 14.5012 16.4157 16.4157 16.5969 16.5969 17.8057 17.8057 17.8901 17.8901 18.4920 18.4920 k =-0.2680 0.4699 0.6324 ( 2298 PWs) bands (ev): 1.5790 1.5790 3.2369 3.2369 6.9577 6.9577 9.0415 9.0415 9.5079 9.5079 9.7082 9.7082 10.5715 10.5715 11.4071 11.4071 11.6997 11.6997 12.0096 12.0096 12.3714 12.3714 12.7228 12.7228 12.7528 12.7528 13.8238 13.8238 14.2680 14.2680 14.5133 14.5133 16.3954 16.3954 16.6513 16.6513 17.8012 17.8012 17.9190 17.9190 18.4269 18.4269 k =-0.2737 0.4799 0.6210 ( 2302 PWs) bands (ev): 1.5785 1.5785 3.2296 3.2296 6.9485 6.9485 9.0387 9.0387 9.5155 9.5155 9.7193 9.7193 10.5718 10.5718 11.4154 11.4154 11.6880 11.6880 12.0210 12.0210 12.3906 12.3906 12.7028 12.7028 12.7522 12.7522 13.8666 13.8666 14.2166 14.2166 14.5231 14.5231 16.3795 16.3795 16.6968 16.6968 17.7965 17.7965 17.9469 17.9469 18.3692 18.3692 k =-0.2793 0.4898 0.6095 ( 2304 PWs) bands (ev): 1.5782 1.5782 3.2243 3.2243 6.9419 6.9419 9.0367 9.0367 9.5210 9.5210 9.7272 9.7272 10.5721 10.5721 11.4221 11.4221 11.6790 11.6790 12.0291 12.0291 12.4064 12.4064 12.6863 12.6863 12.7519 12.7519 13.9090 13.9090 14.1679 14.1679 14.5302 14.5302 16.3681 16.3681 16.7311 16.7311 17.7928 17.7928 17.9709 17.9709 18.3231 18.3231 k =-0.2850 0.4997 0.5981 ( 2300 PWs) bands (ev): 1.5780 1.5780 3.2212 3.2212 6.9380 6.9380 9.0355 9.0355 9.5243 9.5243 9.7320 9.7320 10.5723 10.5723 11.4265 11.4265 11.6732 11.6732 12.0340 12.0340 12.4170 12.4170 12.6752 12.6752 12.7518 12.7518 13.9459 13.9459 14.1271 14.1271 14.5345 14.5345 16.3613 16.3613 16.7526 16.7526 17.7904 17.7904 17.9878 17.9878 18.2926 18.2926 k =-0.2907 0.5096 0.5867 ( 2294 PWs) bands (ev): 1.5779 1.5779 3.2201 3.2201 6.9366 6.9366 9.0351 9.0351 9.5254 9.5254 9.7336 9.7336 10.5724 10.5724 11.4281 11.4281 11.6712 11.6712 12.0356 12.0356 12.4209 12.4209 12.6712 12.6712 12.7517 12.7517 13.9631 13.9631 14.1086 14.1086 14.5359 14.5359 16.3590 16.3590 16.7600 16.7600 17.7896 17.7896 17.9938 17.9938 18.2819 18.2819 k =-0.2907 0.5096 0.5867 ( 2294 PWs) bands (ev): 1.5779 1.5779 3.2201 3.2201 6.9366 6.9366 9.0351 9.0351 9.5254 9.5254 9.7336 9.7336 10.5724 10.5724 11.4281 11.4281 11.6712 11.6712 12.0356 12.0356 12.4209 12.4209 12.6712 12.6712 12.7517 12.7517 13.9631 13.9631 14.1086 14.1086 14.5359 14.5359 16.3590 16.3590 16.7600 16.7600 17.7896 17.7896 17.9938 17.9938 18.2819 18.2819 k =-0.2851 0.4998 0.5754 ( 2294 PWs) bands (ev): 1.5717 1.5717 3.2745 3.2745 6.9066 6.9066 9.0090 9.0090 9.5034 9.5034 9.7409 9.7409 10.5965 10.5965 11.4178 11.4178 11.7056 11.7056 12.0354 12.0354 12.4148 12.4148 12.6264 12.6264 12.7305 12.7305 13.9492 13.9492 14.0706 14.0706 14.4707 14.4707 16.4410 16.4410 16.6820 16.6820 17.8900 17.8900 17.9821 17.9821 18.3086 18.3086 k =-0.2795 0.4900 0.5641 ( 2292 PWs) bands (ev): 1.5619 1.5619 3.3291 3.3291 6.8821 6.8821 8.9800 8.9800 9.4830 9.4830 9.7492 9.7492 10.6202 10.6202 11.4061 11.4061 11.7409 11.7409 12.0359 12.0359 12.4098 12.4098 12.5831 12.5831 12.7117 12.7117 13.9364 13.9364 14.0352 14.0352 14.4071 14.4071 16.5191 16.5191 16.6077 16.6077 17.9325 17.9325 18.0282 18.0282 18.3383 18.3383 k =-0.2739 0.4802 0.5528 ( 2288 PWs) bands (ev): 1.5486 1.5486 3.3838 3.3838 6.8631 6.8631 8.9482 8.9482 9.4643 9.4643 9.7584 9.7584 10.6435 10.6435 11.3930 11.3930 11.7771 11.7771 12.0370 12.0370 12.4047 12.4047 12.5430 12.5430 12.6956 12.6956 13.9242 13.9242 14.0024 14.0024 14.3451 14.3451 16.5140 16.5140 16.6162 16.6162 17.9244 17.9244 18.1229 18.1229 18.3705 18.3705 k =-0.2683 0.4704 0.5416 ( 2290 PWs) bands (ev): 1.5316 1.5316 3.4385 3.4385 6.8497 6.8497 8.9138 8.9138 9.4474 9.4474 9.7684 9.7684 10.6664 10.6664 11.3787 11.3787 11.8140 11.8140 12.0390 12.0390 12.3961 12.3961 12.5097 12.5097 12.6817 12.6817 13.9117 13.9117 13.9731 13.9731 14.2848 14.2848 16.4389 16.4389 16.6940 16.6940 17.9123 17.9123 18.2169 18.2169 18.4051 18.4051 k =-0.2627 0.4606 0.5303 ( 2286 PWs) bands (ev): 1.5111 1.5111 3.4930 3.4930 6.8417 6.8417 8.8769 8.8769 9.4321 9.4321 9.7795 9.7795 10.6887 10.6887 11.3634 11.3634 11.8515 11.8515 12.0418 12.0418 12.3786 12.3786 12.4890 12.4890 12.6704 12.6704 13.8972 13.8972 13.9489 13.9489 14.2262 14.2262 16.3612 16.3612 16.7732 16.7732 17.9011 17.9011 18.3015 18.3015 18.4418 18.4418 k =-0.2571 0.4508 0.5190 ( 2290 PWs) bands (ev): 1.4871 1.4871 3.5474 3.5474 6.8390 6.8390 8.8379 8.8379 9.4186 9.4186 9.7913 9.7913 10.7106 10.7106 11.3472 11.3472 11.8891 11.8891 12.0458 12.0458 12.3494 12.3494 12.4838 12.4838 12.6613 12.6613 13.8783 13.8783 13.9318 13.9318 14.1693 14.1693 16.2839 16.2839 16.8503 16.8503 17.8918 17.8918 18.3710 18.3710 18.4807 18.4807 k =-0.2515 0.4410 0.5077 ( 2306 PWs) bands (ev): 1.4596 1.4596 3.6015 3.6015 6.8414 6.8414 8.7971 8.7971 9.4068 9.4068 9.8041 9.8041 10.7319 10.7319 11.3303 11.3303 11.9264 11.9264 12.0514 12.0514 12.3123 12.3123 12.4898 12.4898 12.6547 12.6547 13.8551 13.8551 13.9216 13.9216 14.1141 14.1141 16.2073 16.2073 16.9241 16.9241 17.8845 17.8845 18.4201 18.4201 18.5219 18.5219 k =-0.2459 0.4312 0.4964 ( 2306 PWs) bands (ev): 1.4290 1.4290 3.6552 3.6552 6.8486 6.8486 8.7549 8.7549 9.3967 9.3967 9.8178 9.8178 10.7527 10.7527 11.3131 11.3131 11.9623 11.9623 12.0600 12.0600 12.2718 12.2718 12.5030 12.5030 12.6504 12.6504 13.8298 13.8298 13.9161 13.9161 14.0609 14.0609 16.1318 16.1318 16.9933 16.9933 17.8792 17.8792 18.4456 18.4456 18.5650 18.5650 k =-0.2404 0.4214 0.4851 ( 2298 PWs) bands (ev): 1.3952 1.3952 3.7083 3.7083 6.8601 6.8601 8.7119 8.7119 9.3883 9.3883 9.8324 9.8324 10.7729 10.7729 11.2955 11.2955 11.9946 11.9946 12.0736 12.0736 12.2300 12.2300 12.5209 12.5209 12.6484 12.6484 13.8038 13.8038 13.9137 13.9137 14.0098 14.0098 16.0576 16.0576 17.0565 17.0565 17.8762 17.8762 18.4479 18.4479 18.6095 18.6095 k =-0.2348 0.4116 0.4739 ( 2288 PWs) bands (ev): 1.3585 1.3585 3.7608 3.7608 6.8754 6.8754 8.6685 8.6685 9.3816 9.3816 9.8478 9.8478 10.7926 10.7926 11.2779 11.2779 12.0202 12.0202 12.0952 12.0952 12.1880 12.1880 12.5423 12.5423 12.6486 12.6486 13.7777 13.7777 13.9130 13.9130 13.9613 13.9613 15.9849 15.9849 17.1119 17.1119 17.8753 17.8753 18.4313 18.4313 18.6552 18.6552 k =-0.2292 0.4018 0.4626 ( 2284 PWs) bands (ev): 1.3192 1.3192 3.8126 3.8126 6.8941 6.8941 8.6254 8.6254 9.3766 9.3766 9.8642 9.8642 10.8117 10.8117 11.2604 11.2604 12.0377 12.0377 12.1256 12.1256 12.1467 12.1467 12.5664 12.5664 12.6510 12.6510 13.7516 13.7516 13.9038 13.9038 13.9256 13.9256 15.9136 15.9136 17.1574 17.1574 17.8765 17.8765 18.4026 18.4026 18.7021 18.7021 k =-0.2236 0.3920 0.4513 ( 2290 PWs) bands (ev): 1.2774 1.2774 3.8636 3.8636 6.9153 6.9153 8.5833 8.5833 9.3732 9.3732 9.8814 9.8814 10.8301 10.8301 11.2430 11.2430 12.0479 12.0479 12.1084 12.1084 12.1620 12.1620 12.5925 12.5925 12.6554 12.6554 13.7256 13.7256 13.8639 13.8639 13.9248 13.9248 15.8439 15.8439 17.1906 17.1906 17.8799 17.8799 18.3689 18.3689 18.7502 18.7502 k =-0.2180 0.3822 0.4400 ( 2290 PWs) bands (ev): 1.2334 1.2334 3.9136 3.9136 6.9384 6.9384 8.5430 8.5430 9.3714 9.3714 9.8996 9.8996 10.8480 10.8480 11.2261 11.2261 12.0406 12.0406 12.0866 12.0866 12.2012 12.2012 12.6196 12.6196 12.6623 12.6623 13.6998 13.6998 13.8212 13.8212 13.9310 13.9310 15.7759 15.7759 17.2091 17.2091 17.8854 17.8854 18.3369 18.3369 18.7994 18.7994 k =-0.2124 0.3724 0.4287 ( 2288 PWs) bands (ev): 1.1873 1.1873 3.9626 3.9626 6.9624 6.9624 8.5054 8.5054 9.3711 9.3711 9.9187 9.9187 10.8653 10.8653 11.2096 11.2096 12.0079 12.0079 12.0905 12.0905 12.2420 12.2420 12.6457 12.6457 12.6732 12.6732 13.6741 13.6741 13.7804 13.7804 13.9399 13.9399 15.7097 15.7097 17.2106 17.2106 17.8931 17.8931 18.3120 18.3120 18.8496 18.8496 k =-0.2068 0.3626 0.4175 ( 2288 PWs) bands (ev): 1.1396 1.1396 4.0104 4.0104 6.9864 6.9864 8.4714 8.4714 9.3724 9.3724 9.9389 9.9389 10.8820 10.8820 11.1938 11.1938 11.9686 11.9686 12.1021 12.1021 12.2835 12.2835 12.6655 12.6655 12.6928 12.6928 13.6486 13.6486 13.7417 13.7417 13.9510 13.9510 15.6454 15.6454 17.1943 17.1943 17.9027 17.9027 18.2975 18.2975 18.9008 18.9008 k =-0.2012 0.3528 0.4062 ( 2292 PWs) bands (ev): 1.0904 1.0904 4.0570 4.0570 7.0093 7.0093 8.4421 8.4421 9.3752 9.3752 9.9601 9.9601 10.8980 10.8980 11.1786 11.1786 11.9283 11.9283 12.1160 12.1160 12.3255 12.3255 12.6790 12.6790 12.7204 12.7204 13.6232 13.6232 13.7055 13.7055 13.9645 13.9645 15.5828 15.5828 17.1606 17.1606 17.9145 17.9145 18.2947 18.2947 18.9529 18.9529 k =-0.1956 0.3430 0.3949 ( 2296 PWs) bands (ev): 1.0400 1.0400 4.1023 4.1023 7.0299 7.0299 8.4185 8.4185 9.3794 9.3794 9.9824 9.9824 10.9134 10.9134 11.1642 11.1642 11.8879 11.8879 12.1314 12.1314 12.3676 12.3676 12.6911 12.6911 12.7508 12.7508 13.5980 13.5980 13.6718 13.6718 13.9802 13.9802 15.5223 15.5223 17.1115 17.1115 17.9283 17.9283 18.3030 18.3030 19.0057 19.0057 k =-0.1900 0.3332 0.3836 ( 2291 PWs) bands (ev): 0.9887 0.9887 4.1463 4.1463 7.0472 7.0472 8.4017 8.4017 9.3850 9.3850 10.0057 10.0057 10.9283 10.9283 11.1506 11.1506 11.8480 11.8480 12.1482 12.1482 12.4096 12.4096 12.7033 12.7033 12.7820 12.7820 13.5733 13.5733 13.6407 13.6407 13.9983 13.9983 15.4637 15.4637 17.0498 17.0498 17.9443 17.9443 18.3204 18.3204 19.0592 19.0592 k =-0.1845 0.3234 0.3723 ( 2293 PWs) bands (ev): 0.9366 0.9366 4.1887 4.1887 7.0599 7.0599 8.3927 8.3927 9.3919 9.3919 10.0303 10.0303 10.9424 10.9424 11.1378 11.1378 11.8084 11.8084 12.1662 12.1662 12.4515 12.4515 12.7157 12.7157 12.8128 12.8128 13.5493 13.5493 13.6121 13.6121 14.0187 14.0187 15.4071 15.4071 16.9788 16.9788 17.9625 17.9625 18.3445 18.3445 19.1132 19.1132 k =-0.1789 0.3136 0.3610 ( 2293 PWs) bands (ev): 0.8839 0.8839 4.2297 4.2297 7.0674 7.0674 8.3921 8.3921 9.4001 9.4001 10.0560 10.0560 10.9560 10.9560 11.1258 11.1258 11.7694 11.7694 12.1853 12.1853 12.4931 12.4931 12.7285 12.7285 12.8430 12.8430 13.5265 13.5265 13.5858 13.5858 14.0415 14.0415 15.3524 15.3524 16.9012 16.9012 17.9831 17.9831 18.3731 18.3731 19.1676 19.1676 k =-0.1733 0.3038 0.3498 ( 2289 PWs) bands (ev): 0.8310 0.8310 4.2690 4.2690 7.0689 7.0689 8.4006 8.4006 9.4095 9.4095 10.0830 10.0830 10.9689 10.9689 11.1147 11.1147 11.7309 11.7309 12.2054 12.2054 12.5343 12.5343 12.7412 12.7412 12.8720 12.8720 13.5052 13.5052 13.5619 13.5619 14.0669 14.0669 15.2998 15.2998 16.8196 16.8196 18.0061 18.0061 18.4043 18.4043 19.2223 19.2223 k =-0.1677 0.2940 0.3385 ( 2295 PWs) bands (ev): 0.7781 0.7781 4.3067 4.3067 7.0642 7.0642 8.4181 8.4181 9.4200 9.4200 10.1113 10.1113 10.9811 10.9811 11.1043 11.1043 11.6929 11.6929 12.2264 12.2264 12.5749 12.5749 12.7538 12.7538 12.8994 12.8994 13.4858 13.4858 13.5404 13.5404 14.0947 14.0947 15.2492 15.2492 16.7359 16.7359 18.0316 18.0316 18.4364 18.4364 19.2770 19.2770 k =-0.1621 0.2842 0.3272 ( 2295 PWs) bands (ev): 0.7252 0.7252 4.3428 4.3428 7.0534 7.0534 8.4445 8.4445 9.4316 9.4316 10.1407 10.1407 10.9927 10.9927 11.0948 11.0948 11.6556 11.6556 12.2482 12.2482 12.6148 12.6148 12.7661 12.7661 12.9245 12.9245 13.4685 13.4685 13.5213 13.5213 14.1251 14.1251 15.2008 15.2008 16.6519 16.6519 18.0597 18.0597 18.4683 18.4683 19.3318 19.3318 k =-0.1565 0.2744 0.3159 ( 2295 PWs) bands (ev): 0.6727 0.6727 4.3771 4.3771 7.0369 7.0369 8.4792 8.4792 9.4442 9.4442 10.1715 10.1715 11.0036 11.0036 11.0862 11.0862 11.6188 11.6188 12.2708 12.2708 12.6538 12.6538 12.7780 12.7780 12.9470 12.9470 13.4535 13.4535 13.5052 13.5052 14.1582 14.1582 15.1543 15.1543 16.5687 16.5687 18.0904 18.0904 18.4992 18.4992 19.3864 19.3864 k =-0.1509 0.2646 0.3046 ( 2299 PWs) bands (ev): 0.6207 0.6207 4.4097 4.4097 7.0154 7.0154 8.5212 8.5212 9.4577 9.4577 10.2035 10.2035 11.0138 11.0138 11.0784 11.0784 11.5827 11.5827 12.2939 12.2939 12.6916 12.6916 12.7894 12.7894 12.9663 12.9663 13.4405 13.4405 13.4925 13.4925 14.1940 14.1940 15.1098 15.1098 16.4874 16.4874 18.1239 18.1239 18.5284 18.5284 19.4405 19.4405 k =-0.1453 0.2548 0.2933 ( 2297 PWs) bands (ev): 0.5693 0.5693 4.4406 4.4406 6.9896 6.9896 8.5698 8.5698 9.4721 9.4721 10.2368 10.2368 11.0232 11.0232 11.0715 11.0715 11.5473 11.5473 12.3176 12.3176 12.7276 12.7276 12.8009 12.8009 12.9820 12.9820 13.4294 13.4294 13.4839 13.4839 14.2325 14.2325 15.0674 15.0674 16.4088 16.4088 18.1602 18.1602 18.5554 18.5554 19.4942 19.4942 k =-0.1397 0.2450 0.2821 ( 2297 PWs) bands (ev): 0.5188 0.5188 4.4697 4.4697 6.9604 6.9604 8.6238 8.6238 9.4872 9.4872 10.2712 10.2712 11.0316 11.0316 11.0656 11.0656 11.5125 11.5125 12.3415 12.3415 12.7602 12.7602 12.8136 12.8136 12.9938 12.9938 13.4197 13.4197 13.4798 13.4798 14.2737 14.2737 15.0270 15.0270 16.3337 16.3337 18.1993 18.1993 18.5799 18.5799 19.5471 19.5471 k =-0.1342 0.2352 0.2708 ( 2293 PWs) bands (ev): 0.4692 0.4692 4.4971 4.4971 6.9285 6.9285 8.6824 8.6824 9.5029 9.5029 10.3067 10.3067 11.0385 11.0385 11.0613 11.0613 11.4784 11.4784 12.3658 12.3658 12.7859 12.7859 12.8312 12.8312 13.0015 13.0015 13.4113 13.4113 13.4804 13.4804 14.3178 14.3178 14.9887 14.9887 16.2627 16.2627 18.2414 18.2414 18.6016 18.6016 19.5987 19.5987 k =-0.1286 0.2254 0.2595 ( 2293 PWs) bands (ev): 0.4207 0.4207 4.5228 4.5228 6.8945 6.8945 8.7444 8.7444 9.5193 9.5193 10.3431 10.3431 11.0423 11.0423 11.0602 11.0602 11.4451 11.4451 12.3900 12.3900 12.8016 12.8016 12.8563 12.8563 13.0053 13.0053 13.4044 13.4044 13.4852 13.4852 14.3647 14.3647 14.9523 14.9523 16.1963 16.1963 18.2866 18.2866 18.6203 18.6203 19.6384 19.6384 k =-0.1230 0.2156 0.2482 ( 2289 PWs) bands (ev): 0.3735 0.3735 4.5468 4.5468 6.8593 6.8593 8.8092 8.8092 9.5362 9.5362 10.3804 10.3804 11.0419 11.0419 11.0633 11.0633 11.4126 11.4126 12.4141 12.4141 12.8106 12.8106 12.8855 12.8855 13.0057 13.0057 13.3989 13.3989 13.4938 13.4938 14.4144 14.4144 14.9178 14.9178 16.1348 16.1348 18.3348 18.3348 18.6360 18.6360 19.5071 19.5071 k =-0.1174 0.2058 0.2369 ( 2293 PWs) bands (ev): 0.3276 0.3276 4.5691 4.5691 6.8233 6.8233 8.8759 8.8759 9.5534 9.5534 10.4184 10.4184 11.0394 11.0394 11.0684 11.0684 11.3809 11.3809 12.4380 12.4380 12.8166 12.8166 12.9149 12.9149 13.0034 13.0034 13.3949 13.3949 13.5053 13.5053 14.4670 14.4670 14.8853 14.8853 16.0786 16.0786 18.3860 18.3860 18.6487 18.6487 19.3579 19.3579 k =-0.1118 0.1960 0.2257 ( 2293 PWs) bands (ev): 0.2832 0.2832 4.5899 4.5899 6.7869 6.7869 8.9437 8.9437 9.5710 9.5710 10.4569 10.4569 11.0367 11.0367 11.0740 11.0740 11.3500 11.3500 12.4615 12.4615 12.8210 12.8210 12.9410 12.9410 13.0011 13.0011 13.3922 13.3922 13.5191 13.5191 14.5225 14.5225 14.8548 14.8548 16.0281 16.0281 18.4403 18.4403 18.6583 18.6583 19.2081 19.2081 k =-0.1062 0.1862 0.2144 ( 2293 PWs) bands (ev): 0.2404 0.2404 4.6090 4.6090 6.7507 6.7507 9.0120 9.0120 9.5887 9.5887 10.4956 10.4956 11.0342 11.0342 11.0793 11.0793 11.3200 11.3200 12.4844 12.4844 12.8245 12.8245 12.9568 12.9568 13.0058 13.0058 13.3905 13.3905 13.5345 13.5345 14.5806 14.5806 14.8263 14.8263 15.9835 15.9835 18.4973 18.4973 18.6654 18.6654 19.0582 19.0582 k =-0.1006 0.1764 0.2031 ( 2297 PWs) bands (ev): 0.1992 0.1992 4.6267 4.6267 6.7150 6.7150 9.0802 9.0802 9.6066 9.6066 10.5343 10.5343 11.0321 11.0321 11.0843 11.0843 11.2909 11.2909 12.5065 12.5065 12.8277 12.8277 12.9560 12.9560 13.0239 13.0239 13.3895 13.3895 13.5510 13.5510 14.6410 14.6410 14.8003 14.8003 15.9448 15.9448 18.5557 18.5557 18.6708 18.6708 18.9091 18.9091 k =-0.0950 0.1666 0.1918 ( 2293 PWs) bands (ev): 0.1598 0.1598 4.6429 4.6429 6.6801 6.6801 9.1478 9.1478 9.6245 9.6245 10.5727 10.5727 11.0307 11.0307 11.0888 11.0888 11.2629 11.2629 12.5278 12.5278 12.8308 12.8308 12.9464 12.9464 13.0483 13.0483 13.3888 13.3888 13.5681 13.5681 14.7015 14.7015 14.7790 14.7790 15.9122 15.9122 18.6098 18.6098 18.6782 18.6782 18.7632 18.7632 k =-0.0894 0.1568 0.1805 ( 2293 PWs) bands (ev): 0.1222 0.1222 4.6577 4.6577 6.6461 6.6461 9.2142 9.2142 9.6423 9.6423 10.6105 10.6105 11.0300 11.0300 11.0929 11.0929 11.2360 11.2360 12.5481 12.5481 12.8340 12.8340 12.9335 12.9335 13.0736 13.0736 13.3881 13.3881 13.5853 13.5853 14.7350 14.7350 14.7893 14.7893 15.8858 15.8858 18.6058 18.6058 18.6393 18.6393 18.7229 18.7229 k =-0.0838 0.1470 0.1692 ( 2289 PWs) bands (ev): 0.0866 0.0866 4.6712 4.6712 6.6135 6.6135 9.2790 9.2790 9.6599 9.6599 10.6473 10.6473 11.0300 11.0300 11.0963 11.0963 11.2104 11.2104 12.5672 12.5672 12.8375 12.8375 12.9194 12.9194 13.0984 13.0984 13.3870 13.3870 13.6025 13.6025 14.7215 14.7215 14.8511 14.8511 15.8655 15.8655 18.4616 18.4616 18.6401 18.6401 18.7845 18.7845 k =-0.0783 0.1372 0.1580 ( 2289 PWs) bands (ev): 0.0529 0.0529 4.6834 4.6834 6.5822 6.5822 9.3417 9.3417 9.6772 9.6772 10.6827 10.6827 11.0310 11.0310 11.0991 11.0991 11.1862 11.1862 12.5852 12.5852 12.8413 12.8413 12.9049 12.9049 13.1222 13.1222 13.3852 13.3852 13.6193 13.6193 14.7029 14.7029 14.9226 14.9226 15.8510 15.8510 18.3165 18.3165 18.6320 18.6320 18.8577 18.8577 k =-0.0727 0.1274 0.1467 ( 2297 PWs) bands (ev): 0.0213 0.0213 4.6944 4.6944 6.5526 6.5526 9.4018 9.4018 9.6940 9.6940 10.7162 10.7162 11.0330 11.0330 11.1009 11.1009 11.1639 11.1639 12.6018 12.6018 12.8449 12.8449 12.8911 12.8911 13.1446 13.1446 13.3825 13.3825 13.6353 13.6353 14.6848 14.6848 14.9978 14.9978 15.8422 15.8422 18.1726 18.1726 18.6189 18.6189 18.9366 18.9366 k =-0.0671 0.1176 0.1354 ( 2301 PWs) bands (ev): -0.0081 -0.0081 4.7043 4.7043 6.5246 6.5246 9.4591 9.4591 9.7103 9.7103 10.7473 10.7473 11.0361 11.0361 11.1009 11.1009 11.1445 11.1445 12.6170 12.6170 12.8469 12.8469 12.8800 12.8800 13.1657 13.1657 13.3787 13.3787 13.6507 13.6507 14.6679 14.6679 15.0760 15.0760 15.8388 15.8388 18.0306 18.0306 18.6020 18.6020 19.0200 19.0200 k =-0.0615 0.1078 0.1241 ( 2301 PWs) bands (ev): -0.0355 -0.0355 4.7131 4.7131 6.4986 6.4986 9.5132 9.5132 9.7259 9.7259 10.7757 10.7757 11.0403 11.0403 11.0969 11.0969 11.1304 11.1304 12.6308 12.6308 12.8440 12.8440 12.8752 12.8752 13.1851 13.1851 13.3739 13.3739 13.6652 13.6652 14.6524 14.6524 15.1568 15.1568 15.8404 15.8404 17.8906 17.8906 18.5817 18.5817 19.1074 19.1074 k =-0.0559 0.0980 0.1128 ( 2295 PWs) bands (ev): -0.0606 -0.0606 4.7210 4.7210 6.4745 6.4745 9.5637 9.5637 9.7407 9.7407 10.8008 10.8008 11.0452 11.0452 11.0874 11.0874 11.1237 11.1237 12.6432 12.6432 12.8356 12.8356 12.8776 12.8776 13.2030 13.2030 13.3681 13.3681 13.6788 13.6788 14.6384 14.6384 15.2400 15.2400 15.8463 15.8463 17.7531 17.7531 18.5584 18.5584 19.1986 19.1986 k =-0.0503 0.0882 0.1015 ( 2299 PWs) bands (ev): -0.0834 -0.0834 4.7279 4.7279 6.4525 6.4525 9.6102 9.6102 9.7546 9.7546 10.8225 10.8225 11.0489 11.0489 11.0769 11.0769 11.1219 11.1219 12.6539 12.6539 12.8254 12.8254 12.8837 12.8837 13.2191 13.2191 13.3612 13.3612 13.6912 13.6912 14.6257 14.6257 15.3252 15.3252 15.8558 15.8558 17.6185 17.6185 18.5325 18.5325 19.2936 19.2936 k =-0.0447 0.0784 0.0903 ( 2303 PWs) bands (ev): -0.1039 -0.1039 4.7339 4.7339 6.4326 6.4326 9.6527 9.6527 9.7675 9.7675 10.8407 10.8407 11.0456 11.0456 11.0743 11.0743 11.1219 11.1219 12.6629 12.6629 12.8157 12.8157 12.8914 12.8914 13.2333 13.2333 13.3536 13.3536 13.7024 13.7024 14.6145 14.6145 15.4121 15.4121 15.8684 15.8684 17.4872 17.4872 18.5047 18.5047 19.3921 19.3921 k =-0.0391 0.0686 0.0790 ( 2303 PWs) bands (ev): -0.1221 -0.1221 4.7390 4.7390 6.4149 6.4149 9.6907 9.6907 9.7793 9.7793 10.8555 10.8555 11.0353 11.0353 11.0803 11.0803 11.1224 11.1224 12.6701 12.6701 12.8072 12.8072 12.8999 12.8999 13.2455 13.2455 13.3456 13.3456 13.7124 13.7124 14.6046 14.6046 15.4999 15.4999 15.8829 15.8829 17.3599 17.3599 18.4758 18.4758 19.4940 19.4940 k =-0.0335 0.0588 0.0677 ( 2305 PWs) bands (ev): -0.1380 -0.1380 4.7434 4.7434 6.3994 6.3994 9.7240 9.7240 9.7898 9.7898 10.8671 10.8671 11.0239 11.0239 11.0892 11.0892 11.1232 11.1232 12.6756 12.6756 12.8003 12.8003 12.9087 12.9087 13.2555 13.2555 13.3378 13.3378 13.7212 13.7212 14.5961 14.5961 15.5879 15.5879 15.8985 15.8985 17.2377 17.2377 18.4468 18.4468 19.5991 19.5991 k =-0.0279 0.0490 0.0564 ( 2309 PWs) bands (ev): -0.1514 -0.1514 4.7470 4.7470 6.3863 6.3863 9.7524 9.7524 9.7990 9.7990 10.8760 10.8760 11.0134 11.0134 11.0984 11.0984 11.1240 11.1240 12.6794 12.6794 12.7952 12.7952 12.9174 12.9174 13.2630 13.2630 13.3307 13.3307 13.7287 13.7287 14.5889 14.5889 15.6746 15.6746 15.9142 15.9142 17.1218 17.1218 18.4190 18.4190 19.7066 19.7066 k =-0.0224 0.0392 0.0451 ( 2309 PWs) bands (ev): -0.1624 -0.1624 4.7499 4.7499 6.3755 6.3755 9.7757 9.7757 9.8070 9.8070 10.8827 10.8827 11.0045 11.0045 11.1068 11.1068 11.1249 11.1249 12.6817 12.6817 12.7916 12.7916 12.9255 12.9255 13.2678 13.2678 13.3251 13.3251 13.7349 13.7349 14.5831 14.5831 15.7580 15.7580 15.9289 15.9289 17.0145 17.0145 18.3937 18.3937 19.7861 19.7861 k =-0.0168 0.0294 0.0338 ( 2311 PWs) bands (ev): -0.1710 -0.1710 4.7522 4.7522 6.3670 6.3670 9.7935 9.7935 9.8137 9.8137 10.8875 10.8875 10.9974 10.9974 11.1137 11.1137 11.1259 11.1259 12.6829 12.6829 12.7894 12.7894 12.9327 12.9327 13.2699 13.2699 13.3214 13.3214 13.7397 13.7397 14.5786 14.5786 15.8347 15.8347 15.9415 15.9415 16.9193 16.9193 18.3723 18.3723 19.7569 19.7569 k =-0.0112 0.0196 0.0226 ( 2311 PWs) bands (ev): -0.1772 -0.1772 4.7538 4.7538 6.3610 6.3610 9.8055 9.8055 9.8194 9.8194 10.8907 10.8907 10.9922 10.9922 11.1183 11.1183 11.1273 11.1273 12.6835 12.6835 12.7881 12.7881 12.9382 12.9382 13.2702 13.2702 13.3195 13.3195 13.7431 13.7431 14.5754 14.5754 15.8991 15.8991 15.9513 15.9513 16.8416 16.8416 18.3560 18.3560 19.7337 19.7337 k =-0.0056 0.0098 0.0113 ( 2311 PWs) bands (ev): -0.1809 -0.1809 4.7547 4.7547 6.3573 6.3573 9.8118 9.8118 9.8237 9.8237 10.8925 10.8925 10.9890 10.9890 11.1205 11.1205 11.1288 11.1288 12.6836 12.6836 12.7874 12.7874 12.9418 12.9418 13.2697 13.2697 13.3189 13.3189 13.7452 13.7452 14.5735 14.5735 15.9435 15.9435 15.9576 15.9576 16.7892 16.7892 18.3457 18.3457 19.7198 19.7198 k = 0.0000 0.0000 0.0000 ( 2315 PWs) bands (ev): -0.1821 -0.1821 4.7550 4.7550 6.3561 6.3561 9.8136 9.8136 9.8254 9.8254 10.8931 10.8931 10.9879 10.9879 11.1211 11.1211 11.1294 11.1294 12.6837 12.6837 12.7872 12.7872 12.9430 12.9430 13.2693 13.2693 13.3186 13.3186 13.7459 13.7459 14.5729 14.5729 15.9589 15.9589 15.9604 15.9604 16.7704 16.7704 18.3422 18.3422 19.7152 19.7152 k = 0.0000 0.0000 0.0000 ( 2315 PWs) bands (ev): -0.1821 -0.1821 4.7550 4.7550 6.3561 6.3561 9.8136 9.8136 9.8254 9.8254 10.8931 10.8931 10.9879 10.9879 11.1211 11.1211 11.1294 11.1294 12.6837 12.6837 12.7872 12.7872 12.9430 12.9430 13.2693 13.2693 13.3186 13.3186 13.7459 13.7459 14.5729 14.5729 15.9589 15.9589 15.9604 15.9604 16.7704 16.7704 18.3422 18.3422 19.7152 19.7152 k = 0.0139 0.0079-0.0000 ( 2307 PWs) bands (ev): -0.1808 -0.1808 4.7456 4.7456 6.3656 6.3656 9.8138 9.8138 9.8255 9.8255 10.8920 10.8920 10.9881 10.9881 11.1203 11.1203 11.1285 11.1285 12.6844 12.6844 12.7520 12.7520 12.9788 12.9788 13.2703 13.2703 13.3198 13.3198 13.7465 13.7465 14.5729 14.5729 15.9612 15.9612 15.9627 15.9627 16.7698 16.7698 18.3424 18.3424 19.7087 19.7088 k = 0.0278 0.0158-0.0000 ( 2307 PWs) bands (ev): -0.1769 -0.1769 4.7181 4.7181 6.3933 6.3933 9.8141 9.8141 9.8257 9.8257 10.8887 10.8887 10.9886 10.9886 11.1179 11.1179 11.1258 11.1258 12.6842 12.6842 12.6864 12.6864 13.0482 13.0482 13.2730 13.2730 13.3228 13.3228 13.7483 13.7483 14.5729 14.5729 15.9681 15.9681 15.9695 15.9695 16.7680 16.7680 18.3428 18.3428 19.6906 19.6906 k = 0.0417 0.0238-0.0000 ( 2303 PWs) bands (ev): -0.1705 -0.1705 4.6742 4.6742 6.4373 6.4373 9.8145 9.8145 9.8259 9.8259 10.8833 10.8833 10.9895 10.9895 11.1138 11.1138 11.1212 11.1212 12.6094 12.6094 12.6898 12.6898 13.1251 13.1251 13.2775 13.2775 13.3280 13.3280 13.7514 13.7514 14.5728 14.5728 15.9795 15.9795 15.9809 15.9809 16.7650 16.7650 18.3436 18.3436 19.6634 19.6634 k = 0.0556 0.0317-0.0000 ( 2303 PWs) bands (ev): -0.1615 -0.1615 4.6165 4.6165 6.4952 6.4952 9.8152 9.8152 9.8263 9.8263 10.8761 10.8761 10.9906 10.9906 11.1082 11.1082 11.1149 11.1149 12.5332 12.5332 12.6944 12.6944 13.2031 13.2031 13.2836 13.2836 13.3357 13.3357 13.7563 13.7563 14.5728 14.5728 15.9955 15.9955 15.9967 15.9967 16.7607 16.7607 18.3445 18.3445 19.6303 19.6303 k = 0.0694 0.0396-0.0000 ( 2303 PWs) bands (ev): -0.1499 -0.1499 4.5475 4.5475 6.5641 6.5641 9.8162 9.8162 9.8267 9.8267 10.8671 10.8671 10.9920 10.9920 11.1012 11.1012 11.1068 11.1068 12.4574 12.4574 12.7003 12.7003 13.2775 13.2775 13.2915 13.2915 13.3484 13.3484 13.7636 13.7636 14.5728 14.5728 16.0159 16.0159 16.0170 16.0170 16.7554 16.7554 18.3457 18.3457 19.5938 19.5938 k = 0.0833 0.0475-0.0000 ( 2295 PWs) bands (ev): -0.1357 -0.1357 4.4696 4.4696 6.6415 6.6415 9.8173 9.8173 9.8274 9.8274 10.8569 10.8569 10.9935 10.9935 11.0928 11.0928 11.0972 11.0972 12.3825 12.3825 12.7075 12.7075 13.3011 13.3011 13.3313 13.3313 13.3812 13.3812 13.7745 13.7745 14.5728 14.5728 16.0406 16.0406 16.0415 16.0415 16.7489 16.7489 18.3470 18.3470 19.5558 19.5558 k = 0.0972 0.0554-0.0000 ( 2295 PWs) bands (ev): -0.1190 -0.1190 4.3850 4.3850 6.7252 6.7252 9.8187 9.8187 9.8281 9.8281 10.8456 10.8456 10.9951 10.9951 11.0832 11.0832 11.0859 11.0859 12.3089 12.3089 12.7159 12.7159 13.3122 13.3122 13.3533 13.3533 13.4427 13.4427 13.7907 13.7907 14.5728 14.5728 16.0695 16.0695 16.0703 16.0703 16.7414 16.7414 18.3484 18.3484 19.5174 19.5174 k = 0.1111 0.0634-0.0000 ( 2291 PWs) bands (ev): -0.0999 -0.0999 4.2952 4.2952 6.8134 6.8134 9.8203 9.8203 9.8290 9.8290 10.8337 10.8337 10.9967 10.9967 11.0724 11.0724 11.0735 11.0735 12.2369 12.2369 12.7256 12.7256 13.3249 13.3249 13.3687 13.3687 13.5047 13.5047 13.8151 13.8151 14.5728 14.5728 16.1023 16.1023 16.1031 16.1031 16.7329 16.7329 18.3499 18.3499 19.4793 19.4793 k = 0.1250 0.0713 0.0000 ( 2291 PWs) bands (ev): -0.0782 -0.0782 4.2015 4.2015 6.9043 6.9043 9.8221 9.8221 9.8300 9.8300 10.8217 10.8217 10.9978 10.9978 11.0589 11.0589 11.0618 11.0618 12.1666 12.1666 12.7363 12.7363 13.3391 13.3391 13.3839 13.3839 13.5572 13.5572 13.8508 13.8508 14.5728 14.5728 16.1388 16.1388 16.1399 16.1399 16.7234 16.7234 18.3514 18.3514 19.4422 19.4422 k = 0.1389 0.0792-0.0000 ( 2291 PWs) bands (ev): -0.0541 -0.0541 4.1050 4.1050 6.9967 6.9967 9.8241 9.8241 9.8312 9.8312 10.8100 10.8100 10.9979 10.9979 11.0436 11.0436 11.0509 11.0509 12.0982 12.0982 12.7482 12.7482 13.3546 13.3546 13.4000 13.4000 13.5971 13.5971 13.8996 13.8996 14.5728 14.5728 16.1790 16.1790 16.1803 16.1803 16.7131 16.7131 18.3528 18.3528 19.4063 19.4063 k = 0.1528 0.0871-0.0000 ( 2295 PWs) bands (ev): -0.0275 -0.0275 4.0066 4.0066 7.0895 7.0895 9.8264 9.8264 9.8325 9.8325 10.7991 10.7991 10.9957 10.9957 11.0272 11.0272 11.0415 11.0415 12.0317 12.0317 12.7612 12.7612 13.3715 13.3715 13.4171 13.4171 13.6252 13.6252 13.9600 13.9600 14.5728 14.5728 16.2225 16.2225 16.2242 16.2242 16.7021 16.7021 18.3541 18.3541 19.3717 19.3717 k = 0.1667 0.0951-0.0000 ( 2299 PWs) bands (ev): 0.0014 0.0014 3.9067 3.9067 7.1817 7.1817 9.8289 9.8289 9.8339 9.8339 10.7896 10.7896 10.9895 10.9895 11.0097 11.0097 11.0355 11.0355 11.9673 11.9673 12.7752 12.7752 13.3896 13.3896 13.4352 13.4352 13.6447 13.6447 14.0289 14.0289 14.5728 14.5728 16.2692 16.2692 16.2713 16.2713 16.6903 16.6903 18.3553 18.3553 19.3386 19.3386 k = 0.1806 0.1030-0.0000 ( 2279 PWs) bands (ev): 0.0326 0.0326 3.8060 3.8060 7.2723 7.2723 9.8319 9.8319 9.8357 9.8357 10.7819 10.7819 10.9788 10.9788 10.9914 10.9914 11.0334 11.0334 11.9051 11.9051 12.7903 12.7903 13.4088 13.4088 13.4541 13.4541 13.6586 13.6586 14.1030 14.1030 14.5729 14.5729 16.3189 16.3189 16.3215 16.3215 16.6780 16.6780 18.3563 18.3563 19.3071 19.3071 k = 0.1944 0.1109-0.0000 ( 2291 PWs) bands (ev): 0.0662 0.0662 3.7049 3.7049 7.3606 7.3606 9.8348 9.8348 9.8375 9.8375 10.7766 10.7766 10.9648 10.9648 10.9724 10.9724 11.0341 11.0341 11.8450 11.8450 12.8064 12.8064 13.4289 13.4289 13.4736 13.4736 13.6689 13.6689 14.1796 14.1796 14.5729 14.5729 16.3710 16.3710 16.3741 16.3741 16.6652 16.6652 18.3570 18.3570 19.2771 19.2771 k = 0.2083 0.1188-0.0000 ( 2291 PWs) bands (ev): 0.1020 0.1020 3.6037 3.6037 7.4459 7.4459 9.8380 9.8380 9.8395 9.8395 10.7740 10.7740 10.9489 10.9489 10.9528 10.9528 11.0364 11.0364 11.7873 11.7873 12.8236 12.8236 13.4500 13.4500 13.4937 13.4937 13.6774 13.6774 14.2573 14.2573 14.5729 14.5729 16.4253 16.4253 16.4291 16.4291 16.6521 16.6521 18.3574 18.3574 19.2486 19.2486 k = 0.2222 0.1267-0.0000 ( 2287 PWs) bands (ev): 0.1399 0.1399 3.5027 3.5027 7.5276 7.5276 9.8413 9.8413 9.8418 9.8418 10.7747 10.7747 10.9316 10.9316 10.9329 10.9329 11.0396 11.0396 11.7319 11.7319 12.8419 12.8419 13.4718 13.4718 13.5140 13.5140 13.6848 13.6848 14.3350 14.3350 14.5729 14.5729 16.4815 16.4815 16.4860 16.4860 16.6388 16.6388 18.3576 18.3576 19.2218 19.2218 k = 0.2361 0.1347-0.0000 ( 2287 PWs) bands (ev): 0.1800 0.1800 3.4022 3.4022 7.6050 7.6050 9.8438 9.8438 9.8452 9.8452 10.7789 10.7789 10.9121 10.9121 10.9143 10.9143 11.0433 11.0433 11.6789 11.6789 12.8611 12.8611 13.4941 13.4941 13.5342 13.5342 13.6918 13.6918 14.4120 14.4120 14.5729 14.5729 16.5387 16.5387 16.5445 16.5445 16.6259 16.6259 18.3574 18.3574 19.1964 19.1964 k = 0.2500 0.1426 0.0000 ( 2291 PWs) bands (ev): 0.2220 0.2220 3.3023 3.3023 7.6776 7.6776 9.8463 9.8463 9.8491 9.8491 10.7868 10.7868 10.8916 10.8916 10.8961 10.8961 11.0472 11.0472 11.6284 11.6284 12.8814 12.8814 13.5169 13.5169 13.5539 13.5539 13.6991 13.6991 14.4875 14.4875 14.5729 14.5729 16.5912 16.5912 16.6041 16.6041 16.6189 16.6189 18.3569 18.3569 19.1725 19.1725 k = 0.2639 0.1505-0.0000 ( 2275 PWs) bands (ev): 0.2660 0.2660 3.2033 3.2033 7.7452 7.7452 9.8489 9.8489 9.8532 9.8532 10.7987 10.7987 10.8711 10.8711 10.8779 10.8779 11.0514 11.0514 11.5804 11.5804 12.9027 12.9027 13.5400 13.5400 13.5726 13.5726 13.7072 13.7072 14.5613 14.5613 14.5729 14.5729 16.5937 16.5937 16.6624 16.6624 16.6646 16.6646 18.3562 18.3562 19.1502 19.1502 k = 0.2778 0.1584-0.0000 ( 2271 PWs) bands (ev): 0.3119 0.3119 3.1054 3.1054 7.8074 7.8074 9.8516 9.8516 9.8574 9.8574 10.8145 10.8145 10.8506 10.8506 10.8597 10.8597 11.0557 11.0557 11.5349 11.5349 12.9252 12.9252 13.5631 13.5631 13.5898 13.5898 13.7165 13.7165 14.5729 14.5729 14.6328 14.6328 16.5813 16.5813 16.7213 16.7213 16.7251 16.7251 18.3551 18.3551 19.1292 19.1292 k = 0.2917 0.1663-0.0000 ( 2271 PWs) bands (ev): 0.3594 0.3594 3.0088 3.0088 7.8640 7.8640 9.8544 9.8544 9.8618 9.8618 10.8301 10.8301 10.8344 10.8344 10.8417 10.8417 11.0600 11.0600 11.4920 11.4920 12.9484 12.9484 13.5862 13.5862 13.6049 13.6049 13.7273 13.7273 14.5729 14.5729 14.7017 14.7017 16.5682 16.5682 16.7809 16.7809 16.7853 16.7853 18.3537 18.3537 19.1096 19.1096 k = 0.3056 0.1743-0.0000 ( 2271 PWs) bands (ev): 0.4084 0.4084 2.9137 2.9137 7.9150 7.9150 9.8573 9.8573 9.8663 9.8663 10.8105 10.8105 10.8240 10.8240 10.8571 10.8571 11.0642 11.0642 11.4517 11.4517 12.9726 12.9726 13.6089 13.6089 13.6177 13.6177 13.7400 13.7400 14.5729 14.5729 14.7676 14.7676 16.5552 16.5552 16.8399 16.8399 16.8446 16.8446 18.3520 18.3520 19.0913 19.0913 k = 0.3194 0.1822-0.0000 ( 2267 PWs) bands (ev): 0.4588 0.4588 2.8203 2.8203 7.9604 7.9604 9.8603 9.8603 9.8709 9.8709 10.7913 10.7913 10.8068 10.8068 10.8832 10.8832 11.0684 11.0684 11.4141 11.4141 12.9977 12.9977 13.6281 13.6281 13.6313 13.6313 13.7545 13.7545 14.5729 14.5729 14.8303 14.8303 16.5425 16.5425 16.8975 16.8975 16.9025 16.9025 18.3501 18.3501 19.0741 19.0741 k = 0.3333 0.1901-0.0000 ( 2267 PWs) bands (ev): 0.5104 0.5104 2.7288 2.7288 8.0004 8.0004 9.8632 9.8632 9.8755 9.8755 10.7727 10.7727 10.7903 10.7903 10.9118 10.9118 11.0724 11.0724 11.3791 11.3791 13.0233 13.0233 13.6364 13.6364 13.6529 13.6529 13.7702 13.7702 14.5729 14.5729 14.8896 14.8896 16.5303 16.5303 16.9532 16.9532 16.9582 16.9582 18.3480 18.3480 19.0577 19.0577 k = 0.3472 0.1980-0.0000 ( 2267 PWs) bands (ev): 0.5629 0.5629 2.6396 2.6396 8.0352 8.0352 9.8662 9.8662 9.8801 9.8801 10.7549 10.7549 10.7745 10.7745 10.9421 10.9421 11.0762 11.0762 11.3468 11.3468 13.0495 13.0495 13.6428 13.6428 13.6736 13.6736 13.7868 13.7868 14.5729 14.5729 14.9450 14.9450 16.5187 16.5187 17.0062 17.0062 17.0113 17.0113 18.3457 18.3457 19.0414 19.0414 k = 0.3611 0.2060-0.0000 ( 2275 PWs) bands (ev): 0.6159 0.6159 2.5530 2.5530 8.0651 8.0651 9.8691 9.8691 9.8846 9.8846 10.7381 10.7381 10.7596 10.7596 10.9735 10.9735 11.0799 11.0799 11.3173 11.3173 13.0759 13.0759 13.6478 13.6478 13.6932 13.6932 13.8036 13.8036 14.5729 14.5729 14.9965 14.9965 16.5078 16.5078 17.0562 17.0562 17.0611 17.0611 18.3432 18.3432 19.0221 19.0221 k = 0.3750 0.2139-0.0000 ( 2275 PWs) bands (ev): 0.6690 0.6690 2.4695 2.4695 8.0906 8.0906 9.8720 9.8720 9.8890 9.8890 10.7223 10.7223 10.7457 10.7457 11.0051 11.0051 11.0833 11.0833 11.2905 11.2905 13.1022 13.1022 13.6517 13.6517 13.7117 13.7117 13.8202 13.8202 14.5729 14.5729 15.0437 15.0437 16.4977 16.4977 17.1024 17.1024 17.1070 17.1070 18.3404 18.3404 18.9791 18.9791 k = 0.3889 0.2218-0.0000 ( 2287 PWs) bands (ev): 0.7218 0.7218 2.3895 2.3895 8.1120 8.1120 9.8746 9.8746 9.8931 9.8931 10.7078 10.7078 10.7329 10.7329 11.0361 11.0361 11.0864 11.0864 11.2664 11.2664 13.1280 13.1280 13.6547 13.6547 13.7287 13.7287 13.8361 13.8361 14.5729 14.5729 15.0865 15.0865 16.4884 16.4884 17.1444 17.1444 17.1487 17.1487 18.3373 18.3373 18.8735 18.8735 k = 0.4028 0.2297-0.0000 ( 2295 PWs) bands (ev): 0.7735 0.7735 2.3137 2.3137 8.1297 8.1297 9.8770 9.8770 9.8969 9.8969 10.6946 10.6946 10.7213 10.7213 11.0657 11.0657 11.0893 11.0893 11.2452 11.2452 13.1529 13.1529 13.6571 13.6571 13.7442 13.7442 13.8509 13.8509 14.5727 14.5727 15.1247 15.1247 16.4800 16.4800 17.1818 17.1818 17.1857 17.1857 18.3338 18.3338 18.7549 18.7549 k = 0.4167 0.2376-0.0000 ( 2303 PWs) bands (ev): 0.8232 0.8232 2.2431 2.2431 8.1442 8.1442 9.8793 9.8793 9.9005 9.9005 10.6829 10.6829 10.7111 10.7111 11.0917 11.0917 11.0930 11.0930 11.2268 11.2268 13.1762 13.1762 13.6590 13.6590 13.7578 13.7578 13.8642 13.8642 14.5727 14.5727 15.1581 15.1581 16.4726 16.4726 17.2144 17.2144 17.2180 17.2180 18.3293 18.3293 18.6467 18.6467 k = 0.4306 0.2456-0.0000 ( 2303 PWs) bands (ev): 0.8699 0.8699 2.1788 2.1788 8.1557 8.1557 9.8814 9.8814 9.9036 9.9036 10.6727 10.6727 10.7022 10.7022 11.0939 11.0939 11.1174 11.1174 11.2111 11.2111 13.1974 13.1974 13.6605 13.6605 13.7696 13.7696 13.8760 13.8760 14.5727 14.5727 15.1867 15.1867 16.4662 16.4662 17.2420 17.2420 17.2452 17.2452 18.3233 18.3233 18.5543 18.5543 k = 0.4444 0.2535-0.0000 ( 2294 PWs) bands (ev): 0.9120 0.9120 2.1223 2.1223 8.1647 8.1647 9.8832 9.8832 9.9064 9.9064 10.6643 10.6643 10.6949 10.6949 11.0957 11.0957 11.1383 11.1383 11.1984 11.1984 13.2159 13.2159 13.6616 13.6616 13.7794 13.7794 13.8859 13.8859 14.5727 14.5727 15.2103 15.2103 16.4610 16.4610 17.2646 17.2646 17.2674 17.2674 18.3143 18.3143 18.4809 18.4809 k = 0.4583 0.2614-0.0000 ( 2294 PWs) bands (ev): 0.9479 0.9479 2.0752 2.0752 8.1714 8.1714 9.8846 9.8846 9.9086 9.9086 10.6576 10.6576 10.6891 10.6891 11.0972 11.0972 11.1551 11.1551 11.1884 11.1884 13.2310 13.2310 13.6625 13.6625 13.7872 13.7872 13.8938 13.8938 14.5727 14.5727 15.2287 15.2287 16.4568 16.4568 17.2820 17.2820 17.2846 17.2846 18.3005 18.3005 18.4292 18.4292 k = 0.4722 0.2693-0.0000 ( 2294 PWs) bands (ev): 0.9755 0.9755 2.0395 2.0395 8.1760 8.1760 9.8856 9.8856 9.9102 9.9102 10.6528 10.6528 10.6849 10.6849 11.0982 11.0982 11.1674 11.1674 11.1813 11.1813 13.2422 13.2422 13.6630 13.6630 13.7927 13.7927 13.8996 13.8996 14.5727 14.5727 15.2419 15.2419 16.4539 16.4539 17.2943 17.2943 17.2967 17.2967 18.2830 18.2830 18.3992 18.3992 k = 0.4861 0.2772-0.0000 ( 2302 PWs) bands (ev): 0.9931 0.9931 2.0171 2.0171 8.1787 8.1787 9.8862 9.8862 9.9111 9.9111 10.6499 10.6499 10.6824 10.6824 11.0988 11.0988 11.1749 11.1749 11.1769 11.1769 13.2491 13.2491 13.6634 13.6634 13.7961 13.7961 13.9030 13.9030 14.5727 14.5727 15.2496 15.2496 16.4521 16.4521 17.3017 17.3017 17.3040 17.3040 18.2682 18.2682 18.3853 18.3853 k = 0.5000 0.2852 0.0000 ( 2290 PWs) bands (ev): 0.9992 0.9992 2.0094 2.0094 8.1796 8.1796 9.8864 9.8864 9.9114 9.9114 10.6489 10.6489 10.6816 10.6816 11.0991 11.0991 11.1755 11.1755 11.1775 11.1775 13.2515 13.2515 13.6637 13.6637 13.7973 13.7973 13.9043 13.9043 14.5727 14.5727 15.2523 15.2523 16.4515 16.4515 17.3042 17.3042 17.3064 17.3064 18.2626 18.2626 18.3814 18.3814 k = 0.5000 0.2852 0.0000 ( 2290 PWs) bands (ev): 0.9992 0.9992 2.0094 2.0094 8.1796 8.1796 9.8864 9.8864 9.9114 9.9114 10.6489 10.6489 10.6816 10.6816 11.0991 11.0991 11.1755 11.1755 11.1775 11.1775 13.2515 13.2515 13.6637 13.6637 13.7973 13.7973 13.9043 13.9043 14.5727 14.5727 15.2523 15.2523 16.4515 16.4515 17.3042 17.3042 17.3064 17.3064 18.2626 18.2626 18.3814 18.3814 k = 0.4943 0.2951 0.0114 ( 2302 PWs) bands (ev): 1.0001 1.0001 2.0105 2.0105 8.1797 8.1797 9.8864 9.8864 9.9115 9.9115 10.6402 10.6402 10.6746 10.6746 11.0992 11.0992 11.1776 11.1776 11.1884 11.1884 13.2430 13.2430 13.6629 13.6629 13.8009 13.8009 13.9067 13.9067 14.5735 14.5735 15.2539 15.2539 16.4513 16.4513 17.2985 17.2985 17.3058 17.3058 18.2647 18.2647 18.3677 18.3677 k = 0.4887 0.3050 0.0228 ( 2306 PWs) bands (ev): 1.0027 1.0027 2.0135 2.0135 8.1800 8.1800 9.8863 9.8863 9.9118 9.9118 10.6084 10.6084 10.6629 10.6629 11.1000 11.1000 11.1799 11.1799 11.2218 11.2218 13.2191 13.2191 13.6609 13.6609 13.8092 13.8092 13.9161 13.9161 14.5759 14.5759 15.2589 15.2589 16.4507 16.4507 17.2790 17.2790 17.3068 17.3068 18.2710 18.2710 18.3275 18.3275 k = 0.4830 0.3149 0.0343 ( 2310 PWs) bands (ev): 1.0072 1.0072 2.0186 2.0186 8.1804 8.1804 9.8855 9.8855 9.9129 9.9129 10.5555 10.5555 10.6513 10.6513 11.1014 11.1014 11.1836 11.1836 11.2694 11.2694 13.1831 13.1831 13.6571 13.6571 13.8154 13.8154 13.9361 13.9361 14.5795 14.5795 15.2672 15.2672 16.4502 16.4502 17.2473 17.2473 17.3086 17.3086 18.2611 18.2611 18.2827 18.2827 k = 0.4774 0.3248 0.0457 ( 2310 PWs) bands (ev): 1.0134 1.0134 2.0258 2.0258 8.1809 8.1809 9.8836 9.8836 9.9155 9.9155 10.4898 10.4898 10.6378 10.6378 11.1037 11.1037 11.1887 11.1887 11.3253 11.3253 13.1386 13.1386 13.6511 13.6511 13.8151 13.8151 13.9682 13.9682 14.5838 14.5838 15.2789 15.2789 16.4502 16.4502 17.2045 17.2045 17.3112 17.3112 18.1761 18.1761 18.2951 18.2951 k = 0.4717 0.3348 0.0571 ( 2310 PWs) bands (ev): 1.0214 1.0214 2.0349 2.0349 8.1813 8.1813 9.8802 9.8802 9.9198 9.9198 10.4162 10.4162 10.6214 10.6214 11.1067 11.1067 11.1952 11.1952 11.3856 11.3856 13.0887 13.0887 13.6431 13.6431 13.8085 13.8085 14.0094 14.0094 14.5884 14.5884 15.2939 15.2939 16.4515 16.4515 17.1522 17.1522 17.3144 17.3144 18.0734 18.0734 18.3108 18.3108 k = 0.4661 0.3447 0.0685 ( 2310 PWs) bands (ev): 1.0310 1.0310 2.0461 2.0461 8.1814 8.1814 9.8753 9.8753 9.9258 9.9258 10.3375 10.3375 10.6019 10.6019 11.1105 11.1105 11.2030 11.2030 11.4482 11.4482 13.0355 13.0355 13.6329 13.6329 13.7973 13.7973 14.0560 14.0560 14.5925 14.5925 15.3124 15.3124 16.4546 16.4546 17.0915 17.0915 17.3183 17.3183 17.9577 17.9577 18.3282 18.3282 k = 0.4604 0.3546 0.0799 ( 2306 PWs) bands (ev): 1.0423 1.0423 2.0593 2.0593 8.1810 8.1810 9.8693 9.8693 9.9335 9.9335 10.2557 10.2557 10.5796 10.5796 11.1150 11.1150 11.2120 11.2120 11.5115 11.5115 12.9806 12.9806 13.6207 13.6207 13.7828 13.7828 14.1056 14.1056 14.5956 14.5956 15.3342 15.3342 16.4606 16.4606 17.0240 17.0240 17.3229 17.3229 17.8327 17.8327 18.3470 18.3470 k = 0.4547 0.3645 0.0914 ( 2306 PWs) bands (ev): 1.0552 1.0552 2.0744 2.0744 8.1798 8.1798 9.8621 9.8621 9.9426 9.9426 10.1719 10.1719 10.5544 10.5544 11.1202 11.1202 11.2220 11.2220 11.5747 11.5747 12.9253 12.9253 13.6065 13.6065 13.7656 13.7656 14.1565 14.1565 14.5970 14.5970 15.3592 15.3592 16.4702 16.4702 16.9506 16.9506 17.3281 17.3281 17.7012 17.7012 18.3668 18.3668 k = 0.4491 0.3744 0.1028 ( 2306 PWs) bands (ev): 1.0697 1.0697 2.0915 2.0915 8.1776 8.1776 9.8542 9.8542 9.9527 9.9527 10.0874 10.0874 10.5266 10.5266 11.1261 11.1261 11.2330 11.2330 11.6373 11.6373 12.8702 12.8702 13.5905 13.5905 13.7462 13.7462 14.2076 14.2076 14.5960 14.5960 15.3876 15.3876 16.4843 16.4843 16.8726 16.8726 17.3336 17.3336 17.5658 17.5658 18.3873 18.3873 k = 0.4434 0.3844 0.1142 ( 2310 PWs) bands (ev): 1.0856 1.0856 2.1106 2.1106 8.1738 8.1738 9.8457 9.8457 9.9622 9.9622 10.0049 10.0049 10.4965 10.4965 11.1327 11.1327 11.2447 11.2447 11.6988 11.6988 12.8161 12.8161 13.5726 13.5726 13.7249 13.7249 14.2581 14.2581 14.5923 14.5923 15.4192 15.4192 16.5034 16.5034 16.7908 16.7908 17.3383 17.3383 17.4293 17.4293 18.4083 18.4083 k = 0.4378 0.3943 0.1256 ( 2310 PWs) bands (ev): 1.1030 1.1030 2.1316 2.1316 8.1681 8.1681 9.8366 9.8366 9.9148 9.9148 9.9810 9.9810 10.4641 10.4641 11.1402 11.1402 11.2572 11.2572 11.7588 11.7588 12.7635 12.7635 13.5530 13.5530 13.7020 13.7020 14.3076 14.3076 14.5857 14.5857 15.4539 15.4539 16.5279 16.5279 16.7064 16.7064 17.2838 17.2838 17.3521 17.3521 18.4300 18.4300 k = 0.4321 0.4042 0.1370 ( 2302 PWs) bands (ev): 1.1217 1.1217 2.1545 2.1545 8.1598 8.1598 9.8263 9.8263 9.8342 9.8342 9.9941 9.9941 10.4299 10.4299 11.1484 11.1484 11.2703 11.2703 11.8170 11.8170 12.7128 12.7128 13.5316 13.5316 13.6775 13.6775 14.3553 14.3553 14.5762 14.5762 15.4914 15.4914 16.5566 16.5566 16.6217 16.6217 17.1486 17.1486 17.3569 17.3569 18.4521 18.4521 k = 0.4264 0.4141 0.1485 ( 2306 PWs) bands (ev): 1.1416 1.1416 2.1793 2.1793 8.1485 8.1485 9.7531 9.7531 9.8177 9.8177 10.0093 10.0093 10.3939 10.3939 11.1574 11.1574 11.2837 11.2837 11.8730 11.8730 12.6643 12.6643 13.5085 13.5085 13.6514 13.6514 14.4005 14.4005 14.5644 14.5644 15.5313 15.5313 16.5255 16.5255 16.6013 16.6013 17.0137 17.0137 17.3642 17.3642 18.4747 18.4747 k = 0.4208 0.4241 0.1599 ( 2298 PWs) bands (ev): 1.1627 1.1627 2.2059 2.2059 8.1334 8.1334 9.6763 9.6763 9.8079 9.8079 10.0257 10.0257 10.3565 10.3565 11.1673 11.1673 11.2976 11.2976 11.9264 11.9264 12.6186 12.6186 13.4839 13.4839 13.6240 13.6240 14.4412 14.4412 14.5523 14.5523 15.5729 15.5729 16.4373 16.4373 16.6433 16.6433 16.8826 16.8826 17.3722 17.3722 18.4977 18.4977 k = 0.4151 0.4340 0.1713 ( 2294 PWs) bands (ev): 1.1848 1.1848 2.2344 2.2344 8.1140 8.1140 9.6036 9.6036 9.7981 9.7981 10.0433 10.0433 10.3179 10.3179 11.1780 11.1780 11.3115 11.3115 11.9766 11.9766 12.5759 12.5759 13.4576 13.4576 13.5951 13.5951 14.4703 14.4703 14.5468 14.5468 15.6152 15.6152 16.3468 16.3468 16.6932 16.6932 16.7576 16.7576 17.3804 17.3804 18.5210 18.5210 k = 0.4095 0.4439 0.1827 ( 2290 PWs) bands (ev): 1.2079 1.2079 2.2646 2.2646 8.0895 8.0895 9.5359 9.5359 9.7884 9.7884 10.0619 10.0619 10.2783 10.2783 11.1895 11.1895 11.3255 11.3255 12.0231 12.0231 12.5369 12.5369 13.4299 13.4299 13.5648 13.5648 14.4738 14.4738 14.5620 14.5620 15.6567 15.6567 16.2556 16.2556 16.6413 16.6413 16.7498 16.7498 17.3887 17.3887 18.5444 18.5444 k = 0.4038 0.4538 0.1941 ( 2288 PWs) bands (ev): 1.2317 1.2317 2.2966 2.2966 8.0595 8.0595 9.4740 9.4740 9.7789 9.7789 10.0815 10.0815 10.2379 10.2379 11.2019 11.2019 11.3394 11.3394 12.0649 12.0649 12.5022 12.5022 13.4008 13.4008 13.5331 13.5331 14.4575 14.4575 14.5922 14.5922 15.6948 15.6948 16.1642 16.1642 16.5375 16.5375 16.8123 16.8123 17.3968 17.3968 18.5672 18.5672 k = 0.3982 0.4637 0.2056 ( 2292 PWs) bands (ev): 1.2561 1.2561 2.3302 2.3302 8.0237 8.0237 9.4184 9.4184 9.7697 9.7697 10.1019 10.1019 10.1970 10.1970 11.2151 11.2151 11.3530 11.3530 12.1009 12.1009 12.4727 12.4727 13.3703 13.3703 13.4999 13.4999 14.4338 14.4338 14.6246 14.6246 15.7255 15.7255 16.0730 16.0730 16.4512 16.4512 16.8806 16.8806 17.4045 17.4045 18.5883 18.5883 k = 0.3925 0.4737 0.2170 ( 2292 PWs) bands (ev): 1.2810 1.2810 2.3655 2.3655 7.9818 7.9818 9.3694 9.3694 9.7609 9.7609 10.1232 10.1232 10.1558 10.1558 11.2293 11.2293 11.3664 11.3664 12.1297 12.1297 12.4497 12.4497 13.3386 13.3386 13.4654 13.4654 14.4070 14.4070 14.6549 14.6549 15.7438 15.7438 15.9823 15.9823 16.3891 16.3891 16.9541 16.9541 17.4116 17.4116 18.6052 18.6052 k = 0.3868 0.4836 0.2284 ( 2290 PWs) bands (ev): 1.3063 1.3063 2.4025 2.4025 7.9340 7.9340 9.3273 9.3273 9.7525 9.7525 10.1143 10.1143 10.1453 10.1453 11.2445 11.2445 11.3792 11.3792 12.1497 12.1497 12.4345 12.4345 13.3058 13.3058 13.4295 13.4295 14.3783 14.3783 14.6807 14.6807 15.7450 15.7450 15.8926 15.8926 16.3572 16.3572 17.0326 17.0326 17.4177 17.4177 18.6129 18.6129 k = 0.3812 0.4935 0.2398 ( 2290 PWs) bands (ev): 1.3317 1.3317 2.4410 2.4410 7.8807 7.8807 9.2915 9.2915 9.7448 9.7448 10.0729 10.0729 10.1680 10.1680 11.2607 11.2607 11.3916 11.3916 12.1600 12.1600 12.4278 12.4278 13.2720 13.2720 13.3922 13.3922 14.3487 14.3487 14.7001 14.7001 15.7285 15.7285 15.8051 15.8051 16.3574 16.3574 17.1155 17.1155 17.4223 17.4223 18.6041 18.6041 k = 0.3755 0.5034 0.2512 ( 2290 PWs) bands (ev): 1.3570 1.3570 2.4810 2.4810 7.8225 7.8225 9.2619 9.2619 9.7376 9.7376 10.0318 10.0318 10.1914 10.1914 11.2778 11.2778 11.4032 11.4032 12.1611 12.1611 12.4288 12.4288 13.2373 13.2373 13.3536 13.3536 14.3187 14.3187 14.7112 14.7112 15.6921 15.6921 15.7288 15.7288 16.3853 16.3853 17.2023 17.2023 17.4252 17.4252 18.5760 18.5760 k = 0.3699 0.5133 0.2627 ( 2296 PWs) bands (ev): 1.3822 1.3822 2.5225 2.5225 7.7602 7.7602 9.2376 9.2376 9.7311 9.7311 9.9909 9.9909 10.2154 10.2154 11.2958 11.2958 11.4141 11.4141 12.1550 12.1550 12.4352 12.4352 13.2019 13.2019 13.3137 13.3137 14.2885 14.2885 14.7119 14.7119 15.6185 15.6185 15.6905 15.6905 16.4340 16.4340 17.2915 17.2915 17.4266 17.4266 18.5348 18.5348 k = 0.3642 0.5233 0.2741 ( 2300 PWs) bands (ev): 1.4068 1.4068 2.5654 2.5654 7.6947 7.6947 9.2178 9.2178 9.7253 9.7253 9.9507 9.9507 10.2398 10.2398 11.3149 11.3149 11.4241 11.4241 12.1445 12.1445 12.4443 12.4443 13.1660 13.1660 13.2727 13.2727 14.2587 14.2587 14.7008 14.7008 15.5341 15.5341 15.6716 15.6716 16.4973 16.4973 17.3742 17.3742 17.4343 17.4343 18.4873 18.4873 k = 0.3586 0.5332 0.2855 ( 2300 PWs) bands (ev): 1.4308 1.4308 2.6096 2.6096 7.6271 7.6271 9.2018 9.2018 9.7203 9.7203 9.9111 9.9111 10.2648 10.2648 11.3350 11.3350 11.4332 11.4332 12.1316 12.1316 12.4539 12.4539 13.1298 13.1298 13.2305 13.2305 14.2294 14.2294 14.6778 14.6778 15.4494 15.4494 15.6667 15.6667 16.5711 16.5711 17.3975 17.3975 17.4998 17.4998 18.4345 18.4345 k = 0.3529 0.5431 0.2969 ( 2300 PWs) bands (ev): 1.4539 1.4539 2.6552 2.6552 7.5582 7.5582 9.1886 9.1886 9.7161 9.7161 9.8723 9.8723 10.2900 10.2900 11.3562 11.3562 11.4412 11.4412 12.1178 12.1178 12.4623 12.4623 13.0934 13.0934 13.1872 13.1872 14.2009 14.2009 14.6439 14.6439 15.3656 15.3656 15.6763 15.6763 16.6525 16.6525 17.3860 17.3860 17.5972 17.5972 18.3764 18.3764 k = 0.3472 0.5530 0.3083 ( 2304 PWs) bands (ev): 1.4758 1.4758 2.7019 2.7019 7.4890 7.4890 9.1774 9.1774 9.7128 9.7128 9.8344 9.8344 10.3156 10.3156 11.3782 11.3782 11.4483 11.4483 12.1042 12.1042 12.4686 12.4686 13.0569 13.0569 13.1431 13.1431 14.1732 14.1732 14.6013 14.6013 15.2828 15.2828 15.6999 15.6999 16.7400 16.7400 17.3642 17.3642 17.7005 17.7005 18.3250 18.3250 k = 0.3416 0.5629 0.3198 ( 2310 PWs) bands (ev): 1.4964 1.4964 2.7498 2.7498 7.4203 7.4203 9.1674 9.1674 9.7103 9.7103 9.7977 9.7977 10.3414 10.3414 11.4010 11.4010 11.4545 11.4545 12.0914 12.0914 12.4723 12.4723 13.0208 13.0208 13.0981 13.0981 14.1466 14.1466 14.5524 14.5524 15.2014 15.2014 15.7359 15.7359 16.8325 16.8325 17.3337 17.3337 17.8071 17.8071 18.2822 18.2822 k = 0.3359 0.5729 0.3312 ( 2306 PWs) bands (ev): 1.5152 1.5152 2.7988 2.7988 7.3531 7.3531 9.1580 9.1580 9.7086 9.7086 9.7622 9.7622 10.3673 10.3673 11.4236 11.4236 11.4606 11.4606 12.0797 12.0797 12.4732 12.4732 12.9851 12.9851 13.0526 13.0526 14.1211 14.1211 14.5000 14.5000 15.1214 15.1214 15.7824 15.7824 16.9291 16.9291 17.2946 17.2946 17.9163 17.9163 18.2456 18.2456 k = 0.3303 0.5828 0.3426 ( 2306 PWs) bands (ev): 1.5322 1.5322 2.8488 2.8488 7.2878 7.2878 9.1483 9.1483 9.7069 9.7069 9.7289 9.7289 10.3934 10.3934 11.4428 11.4428 11.4699 11.4699 12.0693 12.0693 12.4714 12.4714 12.9500 12.9500 13.0066 13.0066 14.0968 14.0968 14.4459 14.4459 15.0429 15.0429 15.8374 15.8374 17.0292 17.0292 17.2471 17.2471 18.0273 18.0273 18.2084 18.2084 k = 0.3246 0.5927 0.3540 ( 2304 PWs) bands (ev): 1.5471 1.5471 2.8997 2.8997 7.2254 7.2254 9.1379 9.1379 9.6914 9.6914 9.7117 9.7117 10.4194 10.4194 11.4521 11.4521 11.4887 11.4887 12.0604 12.0604 12.4673 12.4673 12.9156 12.9156 12.9605 12.9605 14.0738 14.0738 14.3919 14.3919 14.9658 14.9658 15.8995 15.8995 17.1320 17.1320 17.1925 17.1925 18.1361 18.1361 18.1722 18.1722 k = 0.3189 0.6026 0.3654 ( 2304 PWs) bands (ev): 1.5595 1.5595 2.9515 2.9515 7.1662 7.1662 9.1262 9.1262 9.6610 9.6610 9.7118 9.7118 10.4454 10.4454 11.4541 11.4541 11.5144 11.5144 12.0530 12.0530 12.4611 12.4611 12.8815 12.8815 12.9148 12.9148 14.0520 14.0520 14.3390 14.3390 14.8902 14.8902 15.9674 15.9674 17.1293 17.1293 17.2392 17.2392 18.1335 18.1335 18.2046 18.2046 k = 0.3133 0.6125 0.3769 ( 2304 PWs) bands (ev): 1.5693 1.5693 3.0041 3.0041 7.1109 7.1109 9.1128 9.1128 9.6310 9.6310 9.7140 9.7140 10.4712 10.4712 11.4529 11.4529 11.5429 11.5429 12.0469 12.0469 12.4535 12.4535 12.8465 12.8465 12.8713 12.8713 14.0316 14.0316 14.2880 14.2880 14.8162 14.8162 16.0398 16.0398 17.0622 17.0622 17.3472 17.3472 18.1002 18.1002 18.2129 18.2129 k = 0.3076 0.6225 0.3883 ( 2304 PWs) bands (ev): 1.5763 1.5763 3.0573 3.0573 7.0600 7.0600 9.0973 9.0973 9.6022 9.6022 9.7173 9.7173 10.4969 10.4969 11.4494 11.4494 11.5731 11.5731 12.0423 12.0423 12.4451 12.4451 12.8071 12.8071 12.8337 12.8337 14.0125 14.0125 14.2393 14.2393 14.7438 14.7438 16.1160 16.1160 16.9905 16.9905 17.4571 17.4571 18.0692 18.0692 18.2233 18.2233 k = 0.3020 0.6324 0.3997 ( 2300 PWs) bands (ev): 1.5801 1.5801 3.1111 3.1111 7.0137 7.0137 9.0793 9.0793 9.5750 9.5750 9.7217 9.7217 10.5224 10.5224 11.4441 11.4441 11.6046 11.6046 12.0390 12.0390 12.4365 12.4365 12.7630 12.7630 12.8028 12.8028 13.9947 13.9947 14.1931 14.1931 14.6729 14.6729 16.1951 16.1951 16.9157 16.9157 17.5682 17.5682 18.0409 18.0409 18.2385 18.2385 k = 0.2963 0.6423 0.4111 ( 2298 PWs) bands (ev): 1.5807 1.5807 3.1654 3.1654 6.9725 6.9725 9.0586 9.0586 9.5494 9.5494 9.7272 9.7272 10.5475 10.5475 11.4370 11.4370 11.6373 11.6373 12.0368 12.0368 12.4282 12.4282 12.7172 12.7172 12.7758 12.7758 13.9782 13.9782 14.1495 14.1495 14.6036 14.6036 16.2764 16.2764 16.8385 16.8385 17.6796 17.6796 18.0154 18.0154 18.2583 18.2583 k = 0.2907 0.6522 0.4225 ( 2294 PWs) bands (ev): 1.5779 1.5779 3.2201 3.2201 6.9366 6.9366 9.0351 9.0351 9.5254 9.5254 9.7336 9.7336 10.5724 10.5724 11.4281 11.4281 11.6712 11.6712 12.0356 12.0356 12.4209 12.4209 12.6712 12.6712 12.7517 12.7517 13.9631 13.9631 14.1086 14.1086 14.5359 14.5359 16.3590 16.3590 16.7600 16.7600 17.7896 17.7896 17.9938 17.9938 18.2819 18.2819 k = 0.2907 0.6522 0.4225 ( 2294 PWs) bands (ev): 1.5779 1.5779 3.2201 3.2201 6.9366 6.9366 9.0351 9.0351 9.5254 9.5254 9.7336 9.7336 10.5724 10.5724 11.4281 11.4281 11.6712 11.6712 12.0356 12.0356 12.4209 12.4209 12.6712 12.6712 12.7517 12.7517 13.9631 13.9631 14.1086 14.1086 14.5359 14.5359 16.3590 16.3590 16.7600 16.7600 17.7896 17.7896 17.9938 17.9938 18.2819 18.2819 k = 0.2761 0.6486 0.4266 ( 2296 PWs) bands (ev): 1.5754 1.5754 3.2407 3.2407 6.9270 6.9270 9.0205 9.0205 9.5169 9.5169 9.7399 9.7399 10.5817 10.5817 11.4213 11.4213 11.6839 11.6839 12.0385 12.0385 12.4187 12.4187 12.6546 12.6546 12.7436 12.7436 13.9565 13.9565 14.0801 14.0801 14.5290 14.5290 16.3845 16.3845 16.7337 16.7337 17.8278 17.8278 17.9888 17.9888 18.2744 18.2744 k = 0.2616 0.6451 0.4308 ( 2298 PWs) bands (ev): 1.5712 1.5712 3.2627 3.2627 6.9221 6.9221 8.9952 8.9952 9.5082 9.5082 9.7535 9.7535 10.5918 10.5918 11.4081 11.4081 11.6973 11.6973 12.0472 12.0472 12.4170 12.4170 12.6375 12.6375 12.7356 12.7356 13.9460 13.9460 14.0298 14.0298 14.5510 14.5510 16.4013 16.4013 16.7117 16.7117 17.8642 17.8642 17.9878 17.9878 18.2410 18.2410 k = 0.2471 0.6415 0.4349 ( 2300 PWs) bands (ev): 1.5656 1.5656 3.2856 3.2856 6.9220 6.9220 8.9600 8.9600 9.4993 9.4993 9.7736 9.7736 10.6025 10.6025 11.3890 11.3890 11.7115 11.7115 12.0615 12.0615 12.4157 12.4157 12.6203 12.6203 12.7278 12.7278 13.9214 13.9214 13.9780 13.9780 14.5918 14.5918 16.4095 16.4095 16.6941 16.6941 17.8982 17.8982 17.9916 17.9916 18.1921 18.1921 k = 0.2325 0.6380 0.4390 ( 2303 PWs) bands (ev): 1.5590 1.5590 3.3090 3.3090 6.9268 6.9268 8.9163 8.9163 9.4903 9.4903 9.7991 9.7991 10.6138 10.6138 11.3648 11.3648 11.7264 11.7264 12.0804 12.0804 12.4148 12.4148 12.6030 12.6030 12.7201 12.7201 13.8639 13.8639 13.9515 13.9515 14.6435 14.6435 16.4094 16.4094 16.6809 16.6809 17.9277 17.9277 18.0019 18.0019 18.1347 18.1347 k = 0.2180 0.6344 0.4431 ( 2302 PWs) bands (ev): 1.5517 1.5517 3.3324 3.3324 6.9366 6.9366 8.8653 8.8653 9.4814 9.4814 9.8288 9.8288 10.6253 10.6253 11.3362 11.3362 11.7418 11.7418 12.1033 12.1033 12.4143 12.4143 12.5857 12.5857 12.7127 12.7127 13.7905 13.7905 13.9375 13.9375 14.7018 14.7018 16.4015 16.4015 16.6722 16.6722 17.9500 17.9500 18.0205 18.0205 18.0741 18.0741 k = 0.2035 0.6308 0.4472 ( 2302 PWs) bands (ev): 1.5438 1.5438 3.3555 3.3555 6.9513 6.9513 8.8082 8.8082 9.4727 9.4727 9.8619 9.8619 10.6369 10.6369 11.3043 11.3043 11.7578 11.7578 12.1293 12.1293 12.4139 12.4139 12.5688 12.5688 12.7056 12.7056 13.7142 13.7142 13.9257 13.9257 14.7643 14.7643 16.3863 16.3863 16.6678 16.6678 17.9613 17.9613 18.0116 18.0116 18.0514 18.0514 k = 0.1889 0.6273 0.4513 ( 2301 PWs) bands (ev): 1.5356 1.5356 3.3780 3.3780 6.9709 6.9709 8.7463 8.7463 9.4642 9.4642 9.8973 9.8973 10.6485 10.6485 11.2697 11.2697 11.7741 11.7741 12.1574 12.1574 12.4137 12.4137 12.5523 12.5523 12.6988 12.6988 13.6381 13.6381 13.9141 13.9141 14.8295 14.8295 16.3645 16.3645 16.6678 16.6678 17.9304 17.9304 17.9907 17.9907 18.0836 18.0836 k = 0.1744 0.6237 0.4554 ( 2295 PWs) bands (ev): 1.5274 1.5274 3.3996 3.3996 6.9953 6.9953 8.6803 8.6803 9.4561 9.4561 9.9345 9.9345 10.6600 10.6600 11.2332 11.2332 11.7908 11.7908 12.1869 12.1869 12.4137 12.4137 12.5366 12.5366 12.6926 12.6926 13.5635 13.5635 13.9024 13.9024 14.8967 14.8967 16.3366 16.3366 16.6720 16.6720 17.8684 17.8684 17.9982 17.9982 18.1197 18.1197 k = 0.1599 0.6201 0.4595 ( 2296 PWs) bands (ev): 1.5192 1.5192 3.4200 3.4200 7.0244 7.0244 8.6112 8.6112 9.4483 9.4483 9.9727 9.9727 10.6710 10.6710 11.1954 11.1954 11.8076 11.8076 12.2168 12.2168 12.4136 12.4136 12.5221 12.5221 12.6871 12.6871 13.4910 13.4910 13.8907 13.8907 14.9651 14.9651 16.3035 16.3035 16.6803 16.6803 17.8036 17.8036 18.0080 18.0080 18.1574 18.1574 k = 0.1453 0.6166 0.4636 ( 2294 PWs) bands (ev): 1.5113 1.5113 3.4390 3.4390 7.0580 7.0580 8.5398 8.5398 9.4410 9.4410 10.0115 10.0115 10.6817 10.6817 11.1569 11.1569 11.8245 11.8245 12.2461 12.2461 12.4139 12.4139 12.5091 12.5091 12.6826 12.6826 13.4208 13.4208 13.8791 13.8791 15.0345 15.0345 16.2656 16.2656 16.6924 16.6924 17.7392 17.7392 18.0177 18.0177 18.1960 18.1960 k = 0.1308 0.6130 0.4677 ( 2298 PWs) bands (ev): 1.5038 1.5038 3.4565 3.4565 7.0956 7.0956 8.4668 8.4668 9.4342 9.4342 10.0503 10.0503 10.6917 10.6917 11.1180 11.1180 11.8412 11.8412 12.2735 12.2735 12.4147 12.4147 12.4982 12.4982 12.6795 12.6795 13.3531 13.3531 13.8678 13.8678 15.1043 15.1043 16.2235 16.2235 16.7080 16.7080 17.6761 17.6761 18.0269 18.0269 18.2347 18.2347 k = 0.1163 0.6094 0.4718 ( 2300 PWs) bands (ev): 1.4967 1.4967 3.4724 3.4724 7.1371 7.1371 8.3931 8.3931 9.4280 9.4280 10.0887 10.0887 10.7009 10.7009 11.0796 11.0796 11.8574 11.8574 12.2969 12.2969 12.4174 12.4174 12.4897 12.4897 12.6782 12.6782 13.2881 13.2881 13.8569 13.8569 15.1743 15.1743 16.1779 16.1779 16.7267 16.7267 17.6148 17.6148 18.0355 18.0355 18.2729 18.2729 k = 0.1017 0.6059 0.4759 ( 2297 PWs) bands (ev): 1.4903 1.4903 3.4865 3.4865 7.1817 7.1817 8.3193 8.3193 9.4224 9.4224 10.1260 10.1260 10.7094 10.7094 11.0420 11.0420 11.8731 11.8731 12.3139 12.3139 12.4234 12.4234 12.4837 12.4837 12.6796 12.6796 13.2259 13.2259 13.8468 13.8468 15.2443 15.2443 16.1292 16.1292 16.7481 16.7481 17.5559 17.5559 18.0433 18.0433 18.3099 18.3099 k = 0.0872 0.6023 0.4800 ( 2293 PWs) bands (ev): 1.4846 1.4846 3.4989 3.4989 7.2287 7.2287 8.2466 8.2466 9.4175 9.4175 10.1617 10.1617 10.7170 10.7170 11.0060 11.0060 11.8879 11.8879 12.3229 12.3229 12.4337 12.4337 12.4802 12.4802 12.6841 12.6841 13.1666 13.1666 13.8376 13.8376 15.3139 15.3139 16.0777 16.0777 16.7715 16.7715 17.5000 17.5000 18.0502 18.0502 18.3448 18.3448 k = 0.0727 0.5987 0.4841 ( 2293 PWs) bands (ev): 1.4797 1.4797 3.5093 3.5093 7.2771 7.2771 8.1763 8.1763 9.4133 9.4133 10.1950 10.1950 10.7236 10.7236 10.9724 10.9724 11.9014 11.9014 12.3251 12.3251 12.4462 12.4462 12.4790 12.4790 12.6929 12.6929 13.1105 13.1105 13.8294 13.8294 15.3831 15.3831 16.0239 16.0239 16.7961 16.7961 17.4479 17.4479 18.0561 18.0561 18.3767 18.3767 k = 0.0581 0.5952 0.4882 ( 2295 PWs) bands (ev): 1.4755 1.4755 3.5179 3.5179 7.3253 7.3253 8.1100 8.1100 9.4098 9.4098 10.2249 10.2249 10.7291 10.7291 10.9422 10.9422 11.9133 11.9133 12.3232 12.3232 12.4573 12.4573 12.4804 12.4804 12.7065 12.7065 13.0579 13.0579 13.8225 13.8225 15.4513 15.4513 15.9680 15.9680 16.8208 16.8208 17.4008 17.4008 18.0610 18.0610 18.4046 18.4046 k = 0.0436 0.5916 0.4923 ( 2293 PWs) bands (ev): 1.4723 1.4723 3.5246 3.5246 7.3708 7.3708 8.0503 8.0503 9.4071 9.4071 10.2502 10.2502 10.7336 10.7336 10.9166 10.9166 11.9231 11.9231 12.3196 12.3196 12.4643 12.4643 12.4847 12.4847 12.7246 12.7246 13.0098 13.0098 13.8170 13.8170 15.5184 15.5184 15.9106 15.9106 16.8441 16.8441 17.3601 17.3601 18.0649 18.0649 18.4277 18.4277 k = 0.0291 0.5881 0.4964 ( 2293 PWs) bands (ev): 1.4699 1.4699 3.5294 3.5294 7.4098 7.4098 8.0010 8.0010 9.4051 9.4051 10.2697 10.2697 10.7368 10.7368 10.8968 10.8968 11.9305 11.9305 12.3160 12.3160 12.4674 12.4674 12.4898 12.4898 12.7454 12.7454 12.9678 12.9678 13.8129 13.8129 15.5834 15.5834 15.8523 15.8523 16.8637 16.8637 17.3281 17.3281 18.0677 18.0677 18.4450 18.4450 k = 0.0145 0.5845 0.5005 ( 2295 PWs) bands (ev): 1.4685 1.4685 3.5323 3.5323 7.4371 7.4371 7.9675 7.9675 9.4040 9.4040 10.2820 10.2820 10.7388 10.7388 10.8843 10.8843 11.9351 11.9351 12.3135 12.3135 12.4688 12.4688 12.4934 12.4934 12.7645 12.7645 12.9363 12.9363 13.8104 13.8104 15.6439 15.6439 15.7959 15.7959 16.8771 16.8771 17.3073 17.3073 18.0693 18.0693 18.4557 18.4557 k = 0.0000 0.5809 0.5046 ( 2296 PWs) bands (ev): 1.4680 1.4680 3.5333 3.5333 7.4471 7.4471 7.9555 7.9555 9.4036 9.4036 10.2862 10.2862 10.7394 10.7394 10.8800 10.8800 11.9366 11.9366 12.3126 12.3126 12.4692 12.4692 12.4947 12.4947 12.7730 12.7730 12.9237 12.9237 13.8096 13.8096 15.6798 15.6798 15.7614 15.7614 16.8819 16.8819 17.3000 17.3000 18.0699 18.0699 18.4593 18.4593 k = 0.0000 0.5809 0.5046 ( 2296 PWs) bands (ev): 1.4680 1.4680 3.5333 3.5333 7.4471 7.4471 7.9555 7.9555 9.4036 9.4036 10.2862 10.2862 10.7394 10.7394 10.8800 10.8800 11.9366 11.9366 12.3126 12.3126 12.4692 12.4692 12.4947 12.4947 12.7730 12.7730 12.9237 12.9237 13.8096 13.8096 15.6798 15.6798 15.7614 15.7614 16.8819 16.8819 17.3000 17.3000 18.0699 18.0699 18.4593 18.4593 k = 0.0057 0.5710 0.5161 ( 2300 PWs) bands (ev): 1.4682 1.4682 3.5344 3.5344 7.4482 7.4482 7.9551 7.9551 9.4028 9.4028 10.2862 10.2862 10.7377 10.7377 10.8805 10.8805 11.9361 11.9361 12.3085 12.3085 12.4690 12.4690 12.4998 12.4998 12.7705 12.7705 12.9248 12.9248 13.8112 13.8112 15.6793 15.6793 15.7543 15.7543 16.8915 16.8915 17.2835 17.2835 18.0852 18.0852 18.4619 18.4619 k = 0.0114 0.5610 0.5276 ( 2296 PWs) bands (ev): 1.4685 1.4685 3.5377 3.5377 7.4513 7.4513 7.9539 7.9539 9.4005 9.4005 10.2862 10.2862 10.7326 10.7326 10.8820 10.8820 11.9346 11.9346 12.2972 12.2972 12.4701 12.4701 12.5127 12.5127 12.7631 12.7631 12.9280 12.9280 13.8159 13.8159 15.6778 15.6778 15.7339 15.7339 16.9197 16.9197 17.2382 17.2382 18.1267 18.1267 18.4701 18.4701 k = 0.0170 0.5510 0.5390 ( 2300 PWs) bands (ev): 1.4691 1.4691 3.5431 3.5431 7.4565 7.4565 7.9519 7.9519 9.3967 9.3967 10.2860 10.2860 10.7242 10.7242 10.8845 10.8845 11.9323 11.9323 12.2805 12.2805 12.4740 12.4740 12.5299 12.5299 12.7513 12.7513 12.9331 12.9331 13.8234 13.8234 15.6751 15.6751 15.7022 15.7022 16.9642 16.9642 17.1728 17.1728 18.1838 18.1838 18.4857 18.4857 k = 0.0227 0.5411 0.5505 ( 2304 PWs) bands (ev): 1.4700 1.4700 3.5508 3.5508 7.4638 7.4638 7.9492 7.9492 9.3915 9.3915 10.2859 10.2859 10.7124 10.7124 10.8880 10.8880 11.9291 11.9291 12.2600 12.2600 12.4805 12.4805 12.5494 12.5494 12.7357 12.7357 12.9400 12.9400 13.8330 13.8330 15.6615 15.6615 15.6712 15.6712 17.0224 17.0224 17.0959 17.0959 18.2449 18.2449 18.5121 18.5121 k = 0.0284 0.5311 0.5620 ( 2300 PWs) bands (ev): 1.4711 1.4711 3.5606 3.5606 7.4730 7.4730 7.9456 7.9456 9.3851 9.3851 10.2856 10.2856 10.6976 10.6976 10.8923 10.8923 11.9254 11.9254 12.2374 12.2374 12.4889 12.4889 12.5700 12.5700 12.7173 12.7173 12.9485 12.9485 13.8443 13.8443 15.6152 15.6152 15.6654 15.6654 17.0126 17.0126 17.0927 17.0927 18.2996 18.2996 18.5537 18.5537 k = 0.0341 0.5211 0.5734 ( 2300 PWs) bands (ev): 1.4724 1.4724 3.5726 3.5726 7.4841 7.4841 7.9413 7.9413 9.3774 9.3774 10.2851 10.2851 10.6797 10.6797 10.8976 10.8976 11.9212 11.9212 12.2133 12.2133 12.4985 12.4985 12.5908 12.5908 12.6972 12.6972 12.9584 12.9584 13.8564 13.8564 15.5653 15.5653 15.6575 15.6575 16.9290 16.9290 17.1706 17.1706 18.3419 18.3419 18.6122 18.6122 k = 0.0398 0.5112 0.5849 ( 2296 PWs) bands (ev): 1.4739 1.4739 3.5867 3.5867 7.4970 7.4970 7.9362 7.9362 9.3688 9.3688 10.2845 10.2845 10.6591 10.6591 10.9036 10.9036 11.9167 11.9167 12.1885 12.1885 12.5078 12.5078 12.6107 12.6107 12.6776 12.6776 12.9696 12.9696 13.8685 13.8685 15.5136 15.5136 15.6472 15.6472 16.8471 16.8471 17.2553 17.2553 18.3728 18.3728 18.6841 18.6841 k = 0.0455 0.5012 0.5964 ( 2298 PWs) bands (ev): 1.4757 1.4757 3.6029 3.6029 7.5116 7.5116 7.9303 7.9303 9.3593 9.3593 10.2836 10.2836 10.6358 10.6358 10.9102 10.9102 11.9119 11.9119 12.1632 12.1632 12.5148 12.5148 12.6263 12.6263 12.6637 12.6637 12.9818 12.9818 13.8799 13.8799 15.4617 15.4617 15.6338 15.6338 16.7692 16.7692 17.3452 17.3452 18.3962 18.3962 18.7634 18.7634 k = 0.0511 0.4913 0.6078 ( 2296 PWs) bands (ev): 1.4776 1.4776 3.6212 3.6212 7.5277 7.5277 7.9236 7.9236 9.3492 9.3492 10.2825 10.2825 10.6101 10.6101 10.9175 10.9175 11.9071 11.9071 12.1380 12.1380 12.5159 12.5159 12.6295 12.6295 12.6672 12.6672 12.9950 12.9950 13.8897 13.8897 15.4109 15.4109 15.6166 15.6166 16.6973 16.6973 17.4385 17.4385 18.4156 18.4156 18.8449 18.8449 k = 0.0568 0.4813 0.6193 ( 2292 PWs) bands (ev): 1.4797 1.4797 3.6415 3.6415 7.5452 7.5452 7.9162 7.9162 9.3386 9.3386 10.2811 10.2811 10.5822 10.5822 10.9253 10.9253 11.9024 11.9024 12.1130 12.1130 12.5076 12.5076 12.6289 12.6289 12.6829 12.6829 13.0089 13.0089 13.8974 13.8974 15.3621 15.3621 15.5954 15.5954 16.6328 16.6328 17.5342 17.5342 18.4331 18.4331 18.9220 18.9220 k = 0.0625 0.4713 0.6308 ( 2292 PWs) bands (ev): 1.4820 1.4820 3.6638 3.6638 7.5638 7.5638 7.9081 7.9081 9.3276 9.3276 10.2794 10.2794 10.5524 10.5524 10.9335 10.9335 11.8977 11.8977 12.0883 12.0883 12.4897 12.4897 12.6348 12.6348 12.7009 12.7009 13.0233 13.0233 13.9022 13.9022 15.3159 15.3159 15.5696 15.5696 16.5767 16.5767 17.6308 17.6308 18.4498 18.4498 18.9409 18.9409 k = 0.0682 0.4614 0.6422 ( 2286 PWs) bands (ev): 1.4845 1.4845 3.6880 3.6880 7.5835 7.5835 7.8993 7.8993 9.3165 9.3165 10.2773 10.2773 10.5209 10.5209 10.9419 10.9419 11.8933 11.8933 12.0642 12.0642 12.4652 12.4652 12.6463 12.6463 12.7188 12.7188 13.0382 13.0382 13.9037 13.9037 15.2728 15.2728 15.5392 15.5392 16.5298 16.5298 17.7270 17.7270 18.4665 18.4665 18.9137 18.9137 k = 0.0739 0.4514 0.6537 ( 2282 PWs) bands (ev): 1.4871 1.4871 3.7142 3.7142 7.6039 7.6039 7.8898 7.8898 9.3054 9.3054 10.2749 10.2749 10.4882 10.4882 10.9505 10.9505 11.8890 11.8890 12.0408 12.0408 12.4373 12.4373 12.6610 12.6610 12.7359 12.7359 13.0533 13.0533 13.9014 13.9014 15.2331 15.2331 15.5044 15.5044 16.4923 16.4923 17.8214 17.8214 18.4834 18.4834 18.8904 18.8904 k = 0.0795 0.4415 0.6652 ( 2288 PWs) bands (ev): 1.4898 1.4898 3.7421 3.7421 7.6248 7.6248 7.8796 7.8796 9.2944 9.2944 10.2721 10.2721 10.4543 10.4543 10.9590 10.9590 11.8848 11.8848 12.0183 12.0183 12.4076 12.4076 12.6772 12.6772 12.7520 12.7520 13.0684 13.0684 13.8952 13.8952 15.1970 15.1970 15.4658 15.4658 16.4638 16.4638 17.9120 17.9120 18.5008 18.5008 18.8762 18.8762 k = 0.0852 0.4315 0.6766 ( 2288 PWs) bands (ev): 1.4926 1.4926 3.7718 3.7718 7.6459 7.6459 7.8689 7.8689 9.2837 9.2837 10.2689 10.2689 10.4198 10.4198 10.9673 10.9673 11.8809 11.8809 11.9968 11.9968 12.3773 12.3773 12.6941 12.6941 12.7671 12.7671 13.0835 13.0835 13.8850 13.8850 15.1643 15.1643 15.4242 15.4242 16.4440 16.4440 17.9968 17.9968 18.5189 18.5189 18.8737 18.8737 k = 0.0909 0.4215 0.6881 ( 2292 PWs) bands (ev): 1.4956 1.4956 3.8032 3.8032 7.6670 7.6670 7.8576 7.8576 9.2735 9.2735 10.2654 10.2654 10.3850 10.3850 10.9752 10.9752 11.8772 11.8772 11.9765 11.9765 12.3468 12.3468 12.7110 12.7110 12.7809 12.7809 13.0984 13.0984 13.8708 13.8708 15.1351 15.1351 15.3805 15.3805 16.4320 16.4320 18.0736 18.0736 18.5377 18.5377 18.8853 18.8853 k = 0.0966 0.4116 0.6996 ( 2292 PWs) bands (ev): 1.4986 1.4986 3.8362 3.8362 7.6877 7.6877 7.8458 7.8458 9.2637 9.2637 10.2615 10.2615 10.3503 10.3503 10.9826 10.9826 11.8736 11.8736 11.9575 11.9575 12.3168 12.3168 12.7275 12.7275 12.7936 12.7936 13.1129 13.1129 13.8529 13.8529 15.1088 15.1088 15.3360 15.3360 16.4269 16.4269 18.1404 18.1404 18.5572 18.5572 18.9130 18.9130 k = 0.1023 0.4016 0.7111 ( 2292 PWs) bands (ev): 1.5016 1.5016 3.8707 3.8707 7.7077 7.7077 7.8336 7.8336 9.2545 9.2545 10.2570 10.2570 10.3163 10.3163 10.9892 10.9892 11.8701 11.8701 11.9400 11.9400 12.2873 12.2873 12.7433 12.7433 12.8050 12.8050 13.1269 13.1269 13.8317 13.8317 15.0854 15.0854 15.2914 15.2914 16.4278 16.4278 18.1965 18.1965 18.5772 18.5772 18.9579 18.9579 k = 0.1080 0.3916 0.7225 ( 2292 PWs) bands (ev): 1.5047 1.5047 3.9067 3.9067 7.7266 7.7266 7.8211 7.8211 9.2460 9.2460 10.2514 10.2514 10.2841 10.2841 10.9949 10.9949 11.8666 11.8666 11.9241 11.9241 12.2588 12.2588 12.7582 12.7582 12.8152 12.8152 13.1404 13.1404 13.8075 13.8075 15.0642 15.0642 15.2477 15.2477 16.4338 16.4338 18.2426 18.2426 18.5975 18.5975 19.0193 19.0193 k = 0.1136 0.3817 0.7340 ( 2296 PWs) bands (ev): 1.5078 1.5078 3.9440 3.9440 7.7439 7.7439 7.8085 7.8085 9.2382 9.2382 10.2396 10.2396 10.2591 10.2591 10.9996 10.9996 11.8631 11.8631 11.9098 11.9098 12.2312 12.2312 12.7718 12.7718 12.8244 12.8244 13.1532 13.1532 13.7808 13.7808 15.0450 15.0450 15.2057 15.2057 16.4440 16.4440 18.2807 18.2807 18.6179 18.6179 19.0950 19.0950 k = 0.1193 0.3717 0.7455 ( 2290 PWs) bands (ev): 1.5109 1.5109 3.9824 3.9824 7.7590 7.7590 7.7960 7.7960 9.2312 9.2312 10.2145 10.2145 10.2489 10.2489 11.0030 11.0030 11.8594 11.8594 11.8974 11.8974 12.2048 12.2048 12.7840 12.7840 12.8326 12.8326 13.1652 13.1652 13.7521 13.7521 15.0273 15.0273 15.1659 15.1659 16.4578 16.4578 18.3135 18.3135 18.6384 18.6384 19.1823 19.1823 k = 0.1250 0.3618 0.7569 ( 2290 PWs) bands (ev): 1.5140 1.5140 4.0220 4.0220 7.7693 7.7693 7.7862 7.7862 9.2249 9.2249 10.1869 10.1869 10.2431 10.2431 11.0050 11.0050 11.8556 11.8556 11.8868 11.8868 12.1796 12.1796 12.7946 12.7946 12.8399 12.8399 13.1765 13.1765 13.7218 13.7218 15.0109 15.0109 15.1287 15.1287 16.4745 16.4745 18.3436 18.3436 18.6589 18.6589 19.2780 19.2780 k = 0.1307 0.3518 0.7684 ( 2288 PWs) bands (ev): 1.5171 1.5171 4.0624 4.0624 7.7646 7.7646 7.7888 7.7888 9.2194 9.2194 10.1609 10.1609 10.2380 10.2380 11.0055 11.0055 11.8517 11.8517 11.8782 11.8782 12.1557 12.1557 12.8035 12.8035 12.8464 12.8464 13.1868 13.1868 13.6903 13.6903 14.9953 14.9953 15.0944 15.0944 16.4934 16.4934 18.3729 18.3729 18.6794 18.6794 19.3781 19.3781 k = 0.1364 0.3418 0.7799 ( 2286 PWs) bands (ev): 1.5201 1.5201 4.1037 4.1037 7.7526 7.7526 7.7961 7.7961 9.2147 9.2147 10.1375 10.1375 10.2331 10.2331 11.0044 11.0044 11.8475 11.8475 11.8714 11.8714 12.1331 12.1331 12.8106 12.8106 12.8524 12.8524 13.1963 13.1963 13.6582 13.6582 14.9805 14.9805 15.0631 15.0631 16.5141 16.5141 18.4031 18.4031 18.6998 18.6998 19.3859 19.3859 k = 0.1420 0.3319 0.7913 ( 2290 PWs) bands (ev): 1.5231 1.5231 4.1456 4.1456 7.7397 7.7397 7.8014 7.8014 9.2107 9.2107 10.1171 10.1171 10.2284 10.2284 11.0017 11.0017 11.8433 11.8433 11.8662 11.8662 12.1118 12.1118 12.8161 12.8161 12.8577 12.8577 13.2047 13.2047 13.6258 13.6258 14.9662 14.9662 15.0351 15.0351 16.5358 16.5358 18.4351 18.4351 18.7199 18.7199 19.3042 19.3042 k = 0.1477 0.3219 0.8028 ( 2288 PWs) bands (ev): 1.5260 1.5260 4.1878 4.1878 7.7267 7.7267 7.8038 7.8038 9.2075 9.2075 10.1000 10.1000 10.2238 10.2238 10.9973 10.9973 11.8393 11.8393 11.8626 11.8626 12.0919 12.0919 12.8201 12.8201 12.8624 12.8624 13.2122 13.2122 13.5934 13.5934 14.9523 14.9523 15.0103 15.0103 16.5583 16.5583 18.4696 18.4696 18.7398 18.7398 19.2273 19.2273 k = 0.1534 0.3119 0.8143 ( 2290 PWs) bands (ev): 1.5288 1.5288 4.2304 4.2304 7.7138 7.7138 7.8031 7.8031 9.2049 9.2049 10.0864 10.0864 10.2193 10.2193 10.9914 10.9914 11.8354 11.8354 11.8602 11.8602 12.0733 12.0733 12.8229 12.8229 12.8663 12.8663 13.2187 13.2187 13.5614 13.5614 14.9389 14.9389 14.9885 14.9885 16.5808 16.5808 18.5068 18.5068 18.7590 18.7590 19.1575 19.1575 k = 0.1591 0.3020 0.8257 ( 2288 PWs) bands (ev): 1.5315 1.5315 4.2729 4.2729 7.7013 7.7013 7.7993 7.7993 9.2030 9.2030 10.0764 10.0764 10.2150 10.2150 10.9838 10.9838 11.8318 11.8318 11.8591 11.8591 12.0558 12.0558 12.8247 12.8247 12.8694 12.8694 13.2242 13.2242 13.5301 13.5301 14.9261 14.9261 14.9696 14.9696 16.6030 16.6030 18.5469 18.5469 18.7773 18.7773 19.0957 19.0957 k = 0.1648 0.2920 0.8372 ( 2286 PWs) bands (ev): 1.5341 1.5341 4.3152 4.3152 7.6890 7.6890 7.7924 7.7924 9.2016 9.2016 10.0701 10.0701 10.2108 10.2108 10.9749 10.9749 11.8285 11.8285 11.8590 11.8590 12.0395 12.0395 12.8258 12.8258 12.8716 12.8716 13.2287 13.2287 13.4997 13.4997 14.9140 14.9140 14.9532 14.9532 16.6244 16.6244 18.5899 18.5899 18.7942 18.7942 19.0430 19.0430 k = 0.1705 0.2821 0.8487 ( 2286 PWs) bands (ev): 1.5366 1.5366 4.3570 4.3570 7.6772 7.6772 7.7826 7.7826 9.2008 9.2008 10.0672 10.0672 10.2068 10.2068 10.9646 10.9646 11.8254 11.8254 11.8599 11.8599 12.0242 12.0242 12.8264 12.8264 12.8730 12.8730 13.2322 13.2322 13.4704 13.4704 14.9028 14.9028 14.9390 14.9390 16.6446 16.6446 18.6354 18.6354 18.8087 18.8087 19.0011 19.0011 k = 0.1761 0.2721 0.8601 ( 2284 PWs) bands (ev): 1.5390 1.5390 4.3981 4.3981 7.6659 7.6659 7.7702 7.7702 9.2005 9.2005 10.0677 10.0677 10.2031 10.2031 10.9532 10.9532 11.8226 11.8226 11.8617 11.8617 12.0099 12.0099 12.8267 12.8267 12.8734 12.8734 13.2349 13.2349 13.4424 13.4424 14.8927 14.8927 14.9265 14.9265 16.6632 16.6632 18.6826 18.6826 18.8196 18.8196 18.9718 18.9718 k = 0.1818 0.2621 0.8716 ( 2286 PWs) bands (ev): 1.5412 1.5412 4.4381 4.4381 7.6551 7.6551 7.7556 7.7556 9.2005 9.2005 10.0712 10.0712 10.1996 10.1996 10.9408 10.9408 11.8202 11.8202 11.8641 11.8641 11.9964 11.9964 12.8269 12.8269 12.8731 12.8731 13.2368 13.2368 13.4160 13.4160 14.8839 14.8839 14.9155 14.9155 16.6798 16.6798 18.7298 18.7298 18.8266 18.8266 18.9572 18.9572 k = 0.1875 0.2522 0.8831 ( 2288 PWs) bands (ev): 1.5432 1.5432 4.4768 4.4768 7.6449 7.6449 7.7393 7.7393 9.2009 9.2009 10.0773 10.0773 10.1964 10.1964 10.9277 10.9277 11.8183 11.8183 11.8671 11.8671 11.9836 11.9836 12.8270 12.8270 12.8720 12.8720 13.2378 13.2378 13.3912 13.3912 14.8763 14.8763 14.9057 14.9057 16.6943 16.6943 18.7712 18.7712 18.8351 18.8351 18.9575 18.9575 k = 0.1932 0.2422 0.8946 ( 2282 PWs) bands (ev): 1.5451 1.5451 4.5137 4.5137 7.6353 7.6353 7.7218 7.7218 9.2015 9.2015 10.0857 10.0857 10.1935 10.1935 10.9140 10.9140 11.8169 11.8169 11.8703 11.8703 11.9717 11.9717 12.8273 12.8273 12.8703 12.8703 13.2383 13.2383 13.3684 13.3684 14.8700 14.8700 14.8971 14.8971 16.7066 16.7066 18.7931 18.7931 18.8601 18.8601 18.9707 18.9707 k = 0.1989 0.2322 0.9060 ( 2280 PWs) bands (ev): 1.5469 1.5469 4.5486 4.5486 7.6263 7.6263 7.7036 7.7036 9.2023 9.2023 10.0958 10.0958 10.1910 10.1910 10.9001 10.9001 11.8161 11.8161 11.8736 11.8736 11.9603 11.9603 12.8277 12.8277 12.8681 12.8681 13.2382 13.2382 13.3474 13.3474 14.8648 14.8648 14.8895 14.8895 16.7166 16.7166 18.7991 18.7991 18.8974 18.8974 18.9963 18.9963 k = 0.2045 0.2223 0.9175 ( 2280 PWs) bands (ev): 1.5484 1.5484 4.5812 4.5812 7.6179 7.6179 7.6855 7.6855 9.2032 9.2032 10.1070 10.1070 10.1889 10.1889 10.8862 10.8862 11.8160 11.8160 11.8768 11.8768 11.9496 11.9496 12.8283 12.8283 12.8654 12.8654 13.2376 13.2376 13.3285 13.3285 14.8606 14.8606 14.8827 14.8827 16.7244 16.7244 18.8030 18.8030 18.9312 18.9312 19.0354 19.0354 k = 0.2102 0.2123 0.9290 ( 2280 PWs) bands (ev): 1.5498 1.5498 4.6110 4.6110 7.6101 7.6101 7.6681 7.6681 9.2043 9.2043 10.1186 10.1186 10.1873 10.1873 10.8727 10.8727 11.8165 11.8165 11.8798 11.8798 11.9396 11.9396 12.8291 12.8291 12.8625 12.8625 13.2368 13.2368 13.3116 13.3116 14.8574 14.8574 14.8768 14.8768 16.7303 16.7303 18.8086 18.8086 18.9582 18.9582 19.0858 19.0858 k = 0.2159 0.2024 0.9404 ( 2284 PWs) bands (ev): 1.5510 1.5510 4.6377 4.6377 7.6028 7.6028 7.6521 7.6521 9.2053 9.2053 10.1300 10.1300 10.1863 10.1863 10.8598 10.8598 11.8176 11.8176 11.8823 11.8823 11.9305 11.9305 12.8301 12.8301 12.8593 12.8593 13.2357 13.2357 13.2969 13.2969 14.8550 14.8550 14.8716 14.8716 16.7345 16.7345 18.8162 18.8162 18.9808 18.9808 19.1424 19.1424 k = 0.2216 0.1924 0.9519 ( 2286 PWs) bands (ev): 1.5521 1.5521 4.6609 4.6609 7.5960 7.5960 7.6381 7.6381 9.2062 9.2062 10.1404 10.1404 10.1861 10.1861 10.8480 10.8480 11.8193 11.8193 11.8841 11.8841 11.9226 11.9226 12.8314 12.8314 12.8561 12.8561 13.2346 13.2346 13.2844 13.2844 14.8534 14.8534 14.8672 14.8672 16.7373 16.7373 18.8252 18.8252 19.0011 19.0011 19.2014 19.2014 k = 0.2273 0.1824 0.9634 ( 2288 PWs) bands (ev): 1.5529 1.5529 4.6805 4.6805 7.5896 7.5896 7.6267 7.6267 9.2070 9.2070 10.1489 10.1489 10.1868 10.1868 10.8377 10.8377 11.8214 11.8214 11.8849 11.8849 11.9160 11.9160 12.8329 12.8329 12.8529 12.8529 13.2335 13.2335 13.2741 13.2741 14.8524 14.8524 14.8634 14.8634 16.7391 16.7391 18.8343 18.8343 19.0196 19.0196 19.2595 19.2595 k = 0.2330 0.1725 0.9748 ( 2284 PWs) bands (ev): 1.5536 1.5536 4.6960 4.6960 7.5838 7.5838 7.6181 7.6181 9.2077 9.2077 10.1551 10.1551 10.1886 10.1886 10.8291 10.8291 11.8237 11.8237 11.8846 11.8846 11.9114 11.9114 12.8347 12.8347 12.8498 12.8498 13.2327 13.2327 13.2660 13.2660 14.8520 14.8520 14.8602 14.8602 16.7401 16.7401 18.8426 18.8426 19.0359 19.0359 19.3135 19.3135 k = 0.2386 0.1625 0.9863 ( 2290 PWs) bands (ev): 1.5540 1.5540 4.7072 4.7072 7.5791 7.5791 7.6123 7.6123 9.2083 9.2083 10.1590 10.1590 10.1908 10.1908 10.8227 10.8227 11.8258 11.8258 11.8833 11.8833 11.9086 11.9086 12.8367 12.8367 12.8468 12.8468 13.2320 13.2320 13.2602 13.2602 14.8521 14.8521 14.8576 14.8576 16.7406 16.7406 18.8491 18.8491 19.0490 19.0490 19.3592 19.3592 k = 0.2443 0.1525 0.9978 ( 2294 PWs) bands (ev): 1.5543 1.5543 4.7140 4.7140 7.5759 7.5759 7.6090 7.6090 9.2086 9.2086 10.1609 10.1609 10.1927 10.1927 10.8188 10.8188 11.8273 11.8273 11.8819 11.8819 11.9072 11.9072 12.8388 12.8388 12.8439 12.8439 13.2316 13.2316 13.2566 13.2566 14.8526 14.8526 14.8555 14.8555 16.7408 16.7408 18.8533 18.8533 19.0575 19.0575 19.3907 19.3907 k = 0.2500 0.1426 1.0092 ( 2296 PWs) bands (ev): 1.5544 1.5544 4.7163 4.7163 7.5748 7.5748 7.6079 7.6079 9.2087 9.2087 10.1615 10.1615 10.1934 10.1934 10.8174 10.8174 11.8278 11.8278 11.8813 11.8813 11.9068 11.9068 12.8409 12.8409 12.8416 12.8416 13.2315 13.2315 13.2554 13.2554 14.8533 14.8533 14.8543 14.8543 16.7408 16.7408 18.8547 18.8547 19.0605 19.0605 19.4021 19.4021 k = 0.2500 0.1426 1.0092 ( 2296 PWs) bands (ev): 1.5544 1.5544 4.7163 4.7163 7.5748 7.5748 7.6079 7.6079 9.2087 9.2087 10.1615 10.1615 10.1934 10.1934 10.8174 10.8174 11.8278 11.8278 11.8813 11.8813 11.9068 11.9068 12.8409 12.8409 12.8416 12.8416 13.2315 13.2315 13.2554 13.2554 14.8533 14.8533 14.8543 14.8543 16.7408 16.7408 18.8547 18.8547 19.0605 19.0605 19.4021 19.4021 k = 0.2619 0.1494 1.0014 ( 2294 PWs) bands (ev): 1.5544 1.5544 4.7159 4.7159 7.5745 7.5745 7.6089 7.6089 9.2077 9.2077 10.1427 10.1427 10.2124 10.2124 10.8189 10.8189 11.8274 11.8274 11.8779 11.8779 11.9101 11.9101 12.8356 12.8356 12.8470 12.8470 13.2313 13.2313 13.2560 13.2560 14.8465 14.8465 14.8611 14.8611 16.7428 16.7428 18.8534 18.8534 19.0597 19.0597 19.3996 19.3996 k = 0.2738 0.1562 0.9936 ( 2296 PWs) bands (ev): 1.5543 1.5543 4.7144 4.7144 7.5739 7.5739 7.6117 7.6117 9.2047 9.2047 10.1130 10.1130 10.2423 10.2423 10.8233 10.8233 11.8260 11.8260 11.8702 11.8702 11.9173 11.9173 12.8301 12.8301 12.8529 12.8529 13.2308 13.2308 13.2576 13.2576 14.8396 14.8396 14.8680 14.8680 16.7485 16.7485 18.8496 18.8496 19.0573 19.0573 19.3933 19.3933 k = 0.2857 0.1630 0.9858 ( 2296 PWs) bands (ev): 1.5543 1.5543 4.7118 4.7118 7.5733 7.5733 7.6164 7.6164 9.1997 9.1997 10.0821 10.0821 10.2734 10.2734 10.8304 10.8304 11.8236 11.8236 11.8611 11.8611 11.9256 11.9256 12.8244 12.8244 12.8592 12.8592 13.2299 13.2299 13.2604 13.2604 14.8326 14.8326 14.8749 14.8749 16.7578 16.7578 18.8437 18.8437 19.0527 19.0527 19.3846 19.3846 k = 0.2976 0.1697 0.9780 ( 2294 PWs) bands (ev): 1.5543 1.5543 4.7077 4.7077 7.5728 7.5728 7.6232 7.6232 9.1928 9.1928 10.0509 10.0509 10.3047 10.3047 10.8399 10.8399 11.8201 11.8201 11.8516 11.8516 11.9342 11.9342 12.8187 12.8187 12.8659 12.8659 13.2287 13.2287 13.2645 13.2645 14.8256 14.8256 14.8820 14.8820 16.7706 16.7706 18.8356 18.8356 19.0458 19.0458 19.3746 19.3746 k = 0.3095 0.1765 0.9702 ( 2292 PWs) bands (ev): 1.5543 1.5543 4.7022 4.7022 7.5727 7.5727 7.6323 7.6323 9.1840 9.1840 10.0196 10.0196 10.3358 10.3358 10.8517 10.8517 11.8153 11.8153 11.8420 11.8420 11.9425 11.9425 12.8128 12.8128 12.8732 12.8732 13.2273 13.2273 13.2698 13.2698 14.8187 14.8187 14.8892 14.8892 16.7866 16.7866 18.8254 18.8254 19.0362 19.0362 19.3642 19.3642 k = 0.3214 0.1833 0.9623 ( 2294 PWs) bands (ev): 1.5546 1.5546 4.6949 4.6949 7.5729 7.5729 7.6438 7.6438 9.1736 9.1736 9.9883 9.9883 10.3664 10.3664 10.8655 10.8655 11.8093 11.8093 11.8324 11.8324 11.9506 11.9506 12.8069 12.8069 12.8810 12.8810 13.2258 13.2258 13.2765 13.2765 14.8117 14.8117 14.8965 14.8965 16.8058 16.8058 18.8127 18.8127 19.0237 19.0237 19.3539 19.3539 k = 0.3333 0.1901 0.9545 ( 2294 PWs) bands (ev): 1.5549 1.5549 4.6859 4.6859 7.5737 7.5737 7.6578 7.6578 9.1617 9.1617 9.9570 9.9570 10.3963 10.3963 10.8810 10.8810 11.8022 11.8022 11.8228 11.8228 11.9583 11.9583 12.8010 12.8010 12.8894 12.8894 13.2242 13.2242 13.2844 13.2844 14.8049 14.8049 14.9039 14.9039 16.8278 16.8278 18.7969 18.7969 19.0080 19.0080 19.3442 19.3442 k = 0.3452 0.1969 0.9467 ( 2293 PWs) bands (ev): 1.5555 1.5555 4.6749 4.6749 7.5749 7.5749 7.6745 7.6745 9.1486 9.1486 9.9259 9.9259 10.4253 10.4253 10.8978 10.8978 11.7940 11.7940 11.8133 11.8133 11.9655 11.9655 12.7952 12.7952 12.8983 12.8983 13.2226 13.2226 13.2935 13.2935 14.7983 14.7983 14.9113 14.9113 16.8526 16.8526 18.7771 18.7771 18.9892 18.9892 19.3358 19.3358 k = 0.3571 0.2037 0.9389 ( 2293 PWs) bands (ev): 1.5562 1.5562 4.6620 4.6620 7.5767 7.5767 7.6940 7.6940 9.1345 9.1345 9.8949 9.8949 10.4530 10.4530 10.9157 10.9157 11.7850 11.7850 11.8037 11.8037 11.9722 11.9722 12.7894 12.7894 12.9079 12.9079 13.2211 13.2211 13.3040 13.3040 14.7918 14.7918 14.9188 14.9188 16.8798 16.8798 18.7524 18.7524 18.9672 18.9672 19.3291 19.3291 k = 0.3690 0.2105 0.9311 ( 2291 PWs) bands (ev): 1.5572 1.5572 4.6471 4.6471 7.5791 7.5791 7.7161 7.7161 9.1197 9.1197 9.8643 9.8643 10.4794 10.4794 10.9344 10.9344 11.7753 11.7753 11.7940 11.7940 11.9784 11.9784 12.7838 12.7838 12.9180 12.9180 13.2196 13.2196 13.3157 13.3157 14.7856 14.7856 14.9263 14.9263 16.9091 16.9091 18.7218 18.7218 18.9422 18.9422 19.3247 19.3247 k = 0.3810 0.2173 0.9233 ( 2289 PWs) bands (ev): 1.5584 1.5584 4.6303 4.6303 7.5821 7.5821 7.7410 7.7410 9.1044 9.1044 9.8339 9.8339 10.5041 10.5041 10.9536 10.9536 11.7648 11.7648 11.7844 11.7844 11.9839 11.9839 12.7783 12.7783 12.9288 12.9288 13.2182 13.2182 13.3287 13.3287 14.7797 14.7797 14.9338 14.9338 16.9403 16.9403 18.6846 18.6846 18.9147 18.9147 19.3227 19.3227 k = 0.3929 0.2241 0.9154 ( 2288 PWs) bands (ev): 1.5599 1.5599 4.6115 4.6115 7.5858 7.5858 7.7685 7.7685 9.0889 9.0889 9.8040 9.8040 10.5269 10.5269 10.9731 10.9731 11.7535 11.7535 11.7753 11.7753 11.9889 11.9889 12.7731 12.7731 12.9400 12.9400 13.2168 13.2168 13.3429 13.3429 14.7741 14.7741 14.9413 14.9413 16.9729 16.9729 18.6405 18.6405 18.8850 18.8850 19.3230 19.3230 k = 0.4048 0.2309 0.9076 ( 2288 PWs) bands (ev): 1.5616 1.5616 4.5909 4.5909 7.5901 7.5901 7.7985 7.7985 9.0734 9.0734 9.7747 9.7747 10.5475 10.5475 10.9926 10.9926 11.7411 11.7411 11.7670 11.7670 11.9931 11.9931 12.7682 12.7682 12.9517 12.9517 13.2156 13.2156 13.3582 13.3582 14.7689 14.7689 14.9487 14.9487 17.0066 17.0066 18.5896 18.5896 18.8535 18.8535 19.3248 19.3248 k = 0.4167 0.2376 0.8998 ( 2274 PWs) bands (ev): 1.5635 1.5635 4.5686 4.5686 7.5952 7.5952 7.8307 7.8307 9.0581 9.0581 9.7460 9.7460 10.5657 10.5657 11.0119 11.0119 11.7277 11.7277 11.7600 11.7600 11.9967 11.9967 12.7637 12.7637 12.9639 12.9639 13.2145 13.2145 13.3746 13.3746 14.7642 14.7642 14.9562 14.9562 17.0408 17.0408 18.5331 18.5331 18.8208 18.8208 19.3269 19.3269 k = 0.4286 0.2444 0.8920 ( 2268 PWs) bands (ev): 1.5656 1.5656 4.5446 4.5446 7.6009 7.6009 7.8648 7.8648 9.0432 9.0432 9.7182 9.7182 10.5813 10.5813 11.0307 11.0307 11.7134 11.7134 11.7544 11.7544 11.9995 11.9995 12.7597 12.7597 12.9766 12.9766 13.2135 13.2135 13.3919 13.3919 14.7600 14.7600 14.9637 14.9637 17.0748 17.0748 18.4723 18.4723 18.7875 18.7875 19.3279 19.3279 k = 0.4405 0.2512 0.8842 ( 2274 PWs) bands (ev): 1.5679 1.5679 4.5193 4.5193 7.6074 7.6074 7.9004 7.9004 9.0289 9.0289 9.6915 9.6915 10.5940 10.5940 11.0487 11.0487 11.6983 11.6983 11.7502 11.7502 12.0016 12.0016 12.7560 12.7560 12.9896 12.9896 13.2125 13.2125 13.4101 13.4101 14.7562 14.7562 14.9711 14.9711 17.1077 17.1077 18.4090 18.4090 18.7538 18.7538 19.3265 19.3265 k = 0.4524 0.2580 0.8764 ( 2272 PWs) bands (ev): 1.5703 1.5703 4.4926 4.4926 7.6146 7.6146 7.9373 7.9373 9.0153 9.0153 9.6662 9.6662 10.6037 10.6037 11.0657 11.0657 11.6830 11.6830 11.7477 11.7477 12.0029 12.0029 12.7530 12.7530 13.0028 13.0028 13.2116 13.2116 13.4290 13.4290 14.7531 14.7531 14.9786 14.9786 17.1384 17.1384 18.3455 18.3455 18.7203 18.7203 19.3219 19.3219 k = 0.4643 0.2648 0.8685 ( 2272 PWs) bands (ev): 1.5728 1.5728 4.4649 4.4649 7.6225 7.6225 7.9749 7.9749 9.0026 9.0026 9.6425 9.6425 10.6103 10.6103 11.0813 11.0813 11.6676 11.6676 11.7468 11.7468 12.0035 12.0035 12.7505 12.7505 13.0163 13.0163 13.2109 13.2109 13.4485 13.4485 14.7505 14.7505 14.9861 14.9861 17.1653 17.1653 18.2845 18.2845 18.6872 18.6872 19.3137 19.3137 k = 0.4762 0.2716 0.8607 ( 2272 PWs) bands (ev): 1.5753 1.5753 4.4364 4.4364 7.6313 7.6313 8.0125 8.0125 8.9907 8.9907 9.6210 9.6210 10.6136 10.6136 11.0953 11.0953 11.6528 11.6528 11.7477 11.7477 12.0034 12.0034 12.7486 12.7486 13.0299 13.0299 13.2102 13.2102 13.4684 13.4684 14.7486 14.7486 14.9937 14.9937 17.1866 17.1866 18.2288 18.2288 18.6550 18.6550 19.3022 19.3022 k = 0.4881 0.2784 0.8529 ( 2274 PWs) bands (ev): 1.5778 1.5778 4.4073 4.4073 7.6408 7.6408 8.0496 8.0496 8.9799 8.9799 9.6021 9.6021 10.6136 10.6136 11.1072 11.1072 11.6389 11.6389 11.7504 11.7504 12.0025 12.0025 12.7474 12.7474 13.0434 13.0434 13.2096 13.2096 13.4886 13.4886 14.7474 14.7474 15.0014 15.0014 17.2001 17.2001 18.1814 18.1814 18.6238 18.6238 19.2877 19.2877 k = 0.5000 0.2852 0.8451 ( 2272 PWs) bands (ev): 1.5802 1.5802 4.3778 4.3778 7.6512 7.6512 8.0855 8.0855 8.9701 8.9701 9.5863 9.5863 10.6104 10.6104 11.1166 11.1166 11.6264 11.6264 11.7550 11.7550 12.0009 12.0009 12.7468 12.7468 13.0569 13.0569 13.2090 13.2090 13.5088 13.5088 14.7469 14.7469 15.0093 15.0093 17.2035 17.2035 18.1453 18.1453 18.5939 18.5939 19.2708 19.2708 k = 0.5000 0.2852 0.8451 ( 2272 PWs) bands (ev): 1.5802 1.5802 4.3778 4.3778 7.6512 7.6512 8.0855 8.0855 8.9701 8.9701 9.5863 9.5863 10.6104 10.6104 11.1166 11.1166 11.6264 11.6264 11.7550 11.7550 12.0009 12.0009 12.7468 12.7468 13.0569 13.0569 13.2090 13.2090 13.5088 13.5088 14.7469 14.7469 15.0093 15.0093 17.2035 17.2035 18.1453 18.1453 18.5939 18.5939 19.2708 19.2708 k = 0.5000 0.2852 0.8288 ( 2264 PWs) bands (ev): 1.5850 1.5850 4.3149 4.3149 7.6747 7.6747 8.1600 8.1600 8.9492 8.9492 9.5576 9.5576 10.5998 10.5998 11.1340 11.1340 11.6017 11.6017 11.7668 11.7668 11.9964 11.9964 12.7470 12.7470 13.0862 13.0862 13.2079 13.2079 13.5521 13.5521 14.7466 14.7466 15.0273 15.0273 17.1986 17.1986 18.0814 18.0814 18.5328 18.5328 19.2307 19.2307 k = 0.5000 0.2852 0.8126 ( 2258 PWs) bands (ev): 1.5898 1.5898 4.2497 4.2497 7.7003 7.7003 8.2372 8.2372 8.9254 8.9254 9.5302 9.5302 10.5884 10.5884 11.1523 11.1523 11.5764 11.5764 11.7798 11.7798 11.9906 11.9906 12.7485 12.7485 13.1182 13.1182 13.2068 13.2068 13.5982 13.5982 14.7463 14.7463 15.0476 15.0476 17.1936 17.1936 18.0123 18.0123 18.4708 18.4708 19.1863 19.1863 k = 0.5000 0.2852 0.7963 ( 2266 PWs) bands (ev): 1.5945 1.5945 4.1825 4.1825 7.7280 7.7280 8.3166 8.3166 8.8987 8.8987 9.5048 9.5048 10.5761 10.5761 11.1715 11.1715 11.5506 11.5506 11.7938 11.7938 11.9835 11.9835 12.7512 12.7512 13.1529 13.1529 13.2055 13.2055 13.6467 13.6467 14.7460 14.7460 15.0704 15.0704 17.1884 17.1884 17.9385 17.9385 18.4081 18.4081 19.1388 19.1388 k = 0.5000 0.2852 0.7801 ( 2274 PWs) bands (ev): 1.5990 1.5990 4.1138 4.1138 7.7578 7.7578 8.3974 8.3974 8.8692 8.8692 9.4819 9.4819 10.5630 10.5630 11.1916 11.1916 11.5245 11.5245 11.8088 11.8088 11.9753 11.9753 12.7553 12.7553 13.1901 13.1901 13.2043 13.2043 13.6977 13.6977 14.7457 14.7457 15.0961 15.0961 17.1832 17.1832 17.8602 17.8602 18.3445 18.3445 19.0890 19.0890 k = 0.5000 0.2852 0.7638 ( 2282 PWs) bands (ev): 1.6031 1.6031 4.0440 4.0440 7.7895 7.7895 8.4790 8.4790 8.8371 8.8371 9.4616 9.4616 10.5492 10.5492 11.2124 11.2124 11.4984 11.4984 11.8249 11.8249 11.9659 11.9659 12.7610 12.7610 13.2025 13.2025 13.2307 13.2307 13.7510 13.7510 14.7453 14.7453 15.1248 15.1248 17.1780 17.1780 17.7780 17.7780 18.2799 18.2799 19.0376 19.0376 k = 0.5000 0.2852 0.7476 ( 2282 PWs) bands (ev): 1.6067 1.6067 3.9734 3.9734 7.8233 7.8233 8.5610 8.5610 8.8029 8.8029 9.4442 9.4442 10.5346 10.5346 11.2339 11.2339 11.4728 11.4728 11.8420 11.8420 11.9554 11.9554 12.7682 12.7682 13.2011 13.2011 13.2734 13.2734 13.8067 13.8067 14.7450 14.7450 15.1567 15.1567 17.1728 17.1728 17.6924 17.6924 18.2143 18.2143 18.9852 18.9852 k = 0.5000 0.2852 0.7313 ( 2282 PWs) bands (ev): 1.6097 1.6097 3.9024 3.9024 7.8591 7.8591 8.6426 8.6426 8.7670 8.7670 9.4297 9.4297 10.5193 10.5193 11.2559 11.2559 11.4479 11.4479 11.8600 11.8600 11.9437 11.9437 12.7769 12.7769 13.1997 13.1997 13.3190 13.3190 13.8645 13.8645 14.7446 14.7446 15.1920 15.1920 17.1678 17.1678 17.6037 17.6037 18.1476 18.1476 18.9320 18.9320 k = 0.5000 0.2852 0.7151 ( 2278 PWs) bands (ev): 1.6120 1.6120 3.8312 3.8312 7.8967 7.8967 8.7209 8.7209 8.7327 8.7327 9.4181 9.4181 10.5034 10.5034 11.2780 11.2780 11.4244 11.4244 11.8789 11.8789 11.9311 11.9311 12.7871 12.7871 13.1983 13.1983 13.3672 13.3672 13.9245 13.9245 14.7443 14.7443 15.2310 15.2310 17.1629 17.1629 17.5124 17.5124 18.0796 18.0796 18.8783 18.8783 k = 0.5000 0.2852 0.6988 ( 2286 PWs) bands (ev): 1.6134 1.6134 3.7600 3.7600 7.9363 7.9363 8.6917 8.6917 8.8038 8.8038 9.4092 9.4092 10.4868 10.4868 11.2989 11.2989 11.4037 11.4037 11.8979 11.8979 11.9180 11.9180 12.7987 12.7987 13.1969 13.1969 13.4180 13.4180 13.9865 13.9865 14.7439 14.7439 15.2738 15.2738 17.1582 17.1582 17.4190 17.4190 18.0101 18.0101 18.8243 18.8243 k = 0.5000 0.2852 0.6826 ( 2284 PWs) bands (ev): 1.6139 1.6139 3.6891 3.6891 7.9777 7.9777 8.6539 8.6539 8.8818 8.8818 9.4030 9.4030 10.4698 10.4698 11.3152 11.3152 11.3895 11.3895 11.9006 11.9006 11.9210 11.9210 12.8119 12.8119 13.1956 13.1956 13.4715 13.4715 14.0506 14.0506 14.7435 14.7435 15.3205 15.3205 17.1537 17.1537 17.3239 17.3239 17.9391 17.9391 18.7702 18.7702 k = 0.5000 0.2852 0.6663 ( 2284 PWs) bands (ev): 1.6132 1.6132 3.6186 3.6186 8.0209 8.0209 8.6165 8.6165 8.9577 8.9577 9.3992 9.3992 10.4523 10.4523 11.3186 11.3186 11.3903 11.3903 11.8856 11.8856 11.9415 11.9415 12.8264 12.8264 13.1944 13.1944 13.5275 13.5275 14.1167 14.1167 14.7430 14.7430 15.3716 15.3716 17.1494 17.1494 17.2276 17.2276 17.8664 17.8664 18.7160 18.7160 k = 0.5000 0.2852 0.6501 ( 2282 PWs) bands (ev): 1.6114 1.6114 3.5487 3.5487 8.0659 8.0659 8.5798 8.5798 9.0312 9.0312 9.3980 9.3980 10.4343 10.4343 11.3081 11.3081 11.4072 11.4072 11.8691 11.8691 11.9632 11.9632 12.8422 12.8422 13.1934 13.1934 13.5860 13.5860 14.1848 14.1848 14.7425 14.7425 15.4270 15.4270 17.1290 17.1290 17.1467 17.1467 17.7918 17.7918 18.6618 18.6618 k = 0.5000 0.2852 0.6338 ( 2288 PWs) bands (ev): 1.6083 1.6083 3.4795 3.4795 8.1126 8.1126 8.5445 8.5445 9.1017 9.1017 9.3991 9.3991 10.4160 10.4160 11.2924 11.2924 11.4317 11.4317 11.8517 11.8517 11.9854 11.9854 12.8593 12.8593 13.1927 13.1927 13.6471 13.6471 14.2547 14.2547 14.7419 14.7419 15.4869 15.4869 17.0317 17.0317 17.1423 17.1423 17.7154 17.7154 18.6077 18.6078 k = 0.5000 0.2852 0.6176 ( 2292 PWs) bands (ev): 1.6038 1.6038 3.4112 3.4112 8.1611 8.1611 8.5106 8.5106 9.1691 9.1691 9.4027 9.4027 10.3973 10.3973 11.2757 11.2757 11.4597 11.4597 11.8335 11.8335 12.0079 12.0079 12.8776 12.8776 13.1923 13.1923 13.7106 13.7106 14.3266 14.3266 14.7413 14.7413 15.5516 15.5516 16.9333 16.9333 17.1390 17.1390 17.6370 17.6370 18.5539 18.5539 k = 0.5000 0.2852 0.6013 ( 2296 PWs) bands (ev): 1.5979 1.5979 3.3438 3.3438 8.2111 8.2111 8.4786 8.4786 9.2331 9.2331 9.4085 9.4085 10.3784 10.3784 11.2596 11.2596 11.4897 11.4897 11.8147 11.8147 12.0305 12.0305 12.8971 12.8971 13.1923 13.1923 13.7764 13.7764 14.4003 14.4003 14.7407 14.7407 15.6211 15.6211 16.8348 16.8348 17.1362 17.1362 17.5566 17.5566 18.5004 18.5004 k = 0.5000 0.2852 0.5851 ( 2296 PWs) bands (ev): 1.5906 1.5906 3.2776 3.2776 8.2627 8.2627 8.4486 8.4486 9.2934 9.2934 9.4168 9.4168 10.3592 10.3592 11.2446 11.2446 11.5213 11.5213 11.7952 11.7952 12.0529 12.0529 12.9176 12.9176 13.1929 13.1929 13.8446 13.8446 14.4758 14.4758 14.7400 14.7400 15.6956 15.6956 16.7366 16.7366 17.1338 17.1338 17.4741 17.4741 18.4472 18.4472 k = 0.5000 0.2852 0.5688 ( 2304 PWs) bands (ev): 1.5817 1.5817 3.2125 3.2125 8.3157 8.3157 8.4210 8.4210 9.3498 9.3498 9.4275 9.4275 10.3399 10.3399 11.2310 11.2310 11.5541 11.5541 11.7753 11.7753 12.0751 12.0751 12.9391 12.9391 13.1943 13.1943 13.9149 13.9149 14.5530 14.5530 14.7395 14.7395 15.7751 15.7751 16.6388 16.6388 17.1318 17.1318 17.3898 17.3898 18.3944 18.3944 k = 0.5000 0.2852 0.5526 ( 2308 PWs) bands (ev): 1.5713 1.5713 3.1486 3.1486 8.3678 8.3678 8.3980 8.3980 9.4022 9.4022 9.4408 9.4408 10.3205 10.3205 11.2189 11.2189 11.5881 11.5881 11.7550 11.7550 12.0966 12.0966 12.9615 12.9615 13.1967 13.1967 13.9873 13.9873 14.6317 14.6317 14.7391 14.7391 15.8597 15.8597 16.5419 16.5419 17.1303 17.1303 17.3035 17.3035 18.3421 18.3421 k = 0.5000 0.2852 0.5363 ( 2310 PWs) bands (ev): 1.5594 1.5594 3.0861 3.0861 8.3690 8.3690 8.4295 8.4295 9.4504 9.4504 9.4568 9.4568 10.3011 10.3011 11.2083 11.2083 11.6229 11.6229 11.7348 11.7348 12.1172 12.1172 12.9847 12.9847 13.2001 13.2001 14.0616 14.0616 14.7091 14.7091 14.7417 14.7417 15.9495 15.9495 16.4459 16.4459 17.1293 17.1293 17.2156 17.2156 18.2905 18.2905 k = 0.5000 0.2852 0.5201 ( 2306 PWs) bands (ev): 1.5460 1.5460 3.0250 3.0250 8.3486 8.3486 8.4865 8.4865 9.4747 9.4747 9.4954 9.4954 10.2817 10.2817 11.1993 11.1993 11.6569 11.6569 11.7162 11.7162 12.1366 12.1366 13.0085 13.0085 13.2048 13.2048 14.1376 14.1376 14.7340 14.7340 14.7985 14.7985 16.0444 16.0444 16.3513 16.3513 17.1245 17.1245 17.1305 17.1305 18.2395 18.2395 k = 0.5000 0.2852 0.5038 ( 2306 PWs) bands (ev): 1.5312 1.5312 2.9653 2.9653 8.3296 8.3296 8.5455 8.5455 9.4958 9.4958 9.5360 9.5360 10.2623 10.2623 11.1916 11.1916 11.6760 11.6760 11.7135 11.7135 12.1543 12.1543 13.0329 13.0329 13.2111 13.2111 14.2149 14.2149 14.7344 14.7344 14.8815 14.8815 16.1443 16.1443 16.2583 16.2583 17.0352 17.0352 17.1291 17.1291 18.1892 18.1892 k = 0.5000 0.2852 0.4876 ( 2306 PWs) bands (ev): 1.5149 1.5149 2.9071 2.9071 8.3124 8.3124 8.6061 8.6061 9.5197 9.5197 9.5728 9.5728 10.2430 10.2430 11.1852 11.1852 11.6623 11.6623 11.7445 11.7445 12.1701 12.1701 13.0577 13.0577 13.2192 13.2192 14.2932 14.2932 14.7341 14.7341 14.9669 14.9669 16.1674 16.1674 16.2491 16.2491 16.9436 16.9436 17.1298 17.1298 18.1398 18.1398 k = 0.5000 0.2852 0.4713 ( 2314 PWs) bands (ev): 1.4974 1.4974 2.8504 2.8504 8.2972 8.2972 8.6682 8.6682 9.5462 9.5462 9.6060 9.6060 10.2239 10.2239 11.1799 11.1799 11.6417 11.6417 11.7835 11.7835 12.1833 12.1833 13.0826 13.0826 13.2294 13.2294 14.3718 14.3718 14.7339 14.7339 15.0540 15.0540 16.0789 16.0789 16.3587 16.3587 16.8512 16.8512 17.1312 17.1312 18.0913 18.0913 k = 0.5000 0.2852 0.4550 ( 2310 PWs) bands (ev): 1.4786 1.4786 2.7954 2.7954 8.2836 8.2836 8.7315 8.7315 9.5757 9.5757 9.6358 9.6358 10.2050 10.2050 11.1756 11.1756 11.6199 11.6199 11.8249 11.8249 12.1939 12.1939 13.1080 13.1080 13.2418 13.2418 14.4497 14.4497 14.7343 14.7343 15.1426 15.1426 15.9937 15.9937 16.4726 16.4726 16.7588 16.7588 17.1333 17.1333 18.0439 18.0439 k = 0.5000 0.2852 0.4388 ( 2314 PWs) bands (ev): 1.4587 1.4587 2.7420 2.7420 8.2717 8.2717 8.7962 8.7962 9.6079 9.6079 9.6625 9.6625 10.1863 10.1863 11.1720 11.1720 11.5977 11.5977 11.8678 11.8678 12.2013 12.2013 13.1334 13.1334 13.2565 13.2565 14.5251 14.5251 14.7363 14.7363 15.2326 15.2326 15.9124 15.9124 16.5881 16.5881 16.6690 16.6690 17.1363 17.1363 17.9977 17.9977 k = 0.5000 0.2852 0.4225 ( 2314 PWs) bands (ev): 1.4378 1.4378 2.6902 2.6902 8.2612 8.2612 8.8621 8.8621 9.6428 9.6428 9.6864 9.6864 10.1679 10.1679 11.1691 11.1691 11.5752 11.5752 11.9121 11.9121 12.2052 12.2052 13.1591 13.1591 13.2736 13.2736 14.5943 14.5943 14.7424 14.7424 15.3240 15.3240 15.8364 15.8364 16.5700 16.5700 16.7171 16.7171 17.1404 17.1404 17.9528 17.9528 k = 0.5000 0.2852 0.4063 ( 2314 PWs) bands (ev): 1.4160 1.4160 2.6402 2.6402 8.2521 8.2521 8.9292 8.9292 9.6802 9.6802 9.7079 9.7079 10.1499 10.1499 11.1667 11.1667 11.5527 11.5527 11.9577 11.9577 12.2053 12.2053 13.1848 13.1848 13.2930 13.2930 14.6485 14.6485 14.7592 14.7592 15.4164 15.4164 15.7675 15.7675 16.4796 16.4796 16.8410 16.8410 17.1464 17.1464 17.9093 17.9093 k = 0.5000 0.2852 0.3900 ( 2310 PWs) bands (ev): 1.3935 1.3935 2.5920 2.5920 8.2440 8.2440 8.9975 8.9975 9.7183 9.7183 9.7291 9.7291 10.1322 10.1322 11.1646 11.1646 11.5303 11.5303 12.0046 12.0046 12.2013 12.2013 13.2110 13.2110 13.3145 13.3145 14.6777 14.6777 14.7941 14.7941 15.5100 15.5100 15.7085 15.7085 16.3895 16.3895 16.9659 16.9659 17.1568 17.1568 17.8675 17.8675 k = 0.5000 0.2852 0.3738 ( 2308 PWs) bands (ev): 1.3704 1.3704 2.5454 2.5454 8.2370 8.2370 9.0670 9.0670 9.7414 9.7414 9.7657 9.7657 10.1150 10.1150 11.1626 11.1626 11.5079 11.5079 12.0528 12.0528 12.1932 12.1932 13.2375 13.2375 13.3380 13.3380 14.6879 14.6879 14.8368 14.8368 15.6043 15.6043 15.6634 15.6634 16.3008 16.3008 17.0761 17.0761 17.1861 17.1861 17.8275 17.8275 k = 0.5000 0.2852 0.3575 ( 2308 PWs) bands (ev): 1.3469 1.3469 2.5007 2.5007 8.2308 8.2308 9.1375 9.1375 9.7570 9.7570 9.8104 9.8104 10.0982 10.0982 11.1607 11.1607 11.4856 11.4856 12.1020 12.1020 12.1808 12.1808 13.2643 13.2643 13.3629 13.3629 14.6902 14.6902 14.8712 14.8712 15.6360 15.6360 15.7002 15.7002 16.2142 16.2142 17.1277 17.1277 17.2776 17.2776 17.7897 17.7897 k = 0.5000 0.2852 0.3413 ( 2304 PWs) bands (ev): 1.3231 1.3231 2.4579 2.4579 8.2253 8.2253 9.2091 9.2091 9.7707 9.7707 9.8576 9.8576 10.0819 10.0819 11.1587 11.1587 11.4635 11.4635 12.1497 12.1497 12.1669 12.1669 13.2917 13.2917 13.3893 13.3893 14.6890 14.6890 14.8880 14.8880 15.6324 15.6324 15.7956 15.7956 16.1303 16.1303 17.1443 17.1443 17.4072 17.4072 17.7543 17.7543 k = 0.5000 0.2852 0.3250 ( 2304 PWs) bands (ev): 1.2992 1.2992 2.4168 2.4168 8.2204 8.2204 9.2817 9.2817 9.7829 9.7829 9.9068 9.9068 10.0662 10.0662 11.1565 11.1565 11.4417 11.4417 12.1408 12.1408 12.2064 12.2064 13.3195 13.3195 13.4166 13.4166 14.6859 14.6859 14.8838 14.8838 15.6533 15.6533 15.8901 15.8901 16.0507 16.0507 17.1543 17.1543 17.5456 17.5456 17.7218 17.7218 k = 0.5000 0.2852 0.3088 ( 2304 PWs) bands (ev): 1.2753 1.2753 2.3777 2.3777 8.2160 8.2160 9.3553 9.3553 9.7940 9.7940 9.9575 9.9575 10.0510 10.0510 11.1542 11.1542 11.4201 11.4201 12.1152 12.1152 12.2593 12.2593 13.3474 13.3474 13.4448 13.4448 14.6811 14.6811 14.8603 14.8603 15.6958 15.6958 15.9517 15.9517 16.0076 16.0076 17.1629 17.1629 17.6851 17.6851 17.6945 17.6945 k = 0.5000 0.2852 0.2925 ( 2304 PWs) bands (ev): 1.2516 1.2516 2.3404 2.3404 8.2120 8.2120 9.4297 9.4297 9.8042 9.8042 10.0093 10.0093 10.0366 10.0366 11.1516 11.1516 11.3990 11.3990 12.0850 12.0850 12.3138 12.3138 13.3754 13.3754 13.4737 13.4737 14.6745 14.6745 14.8227 14.8227 15.7539 15.7539 15.8906 15.8906 16.0916 16.0916 17.1712 17.1712 17.6670 17.6670 17.8293 17.8293 k = 0.5000 0.2852 0.2763 ( 2306 PWs) bands (ev): 1.2282 1.2282 2.3051 2.3051 8.2084 8.2084 9.5050 9.5050 9.8136 9.8136 10.0222 10.0222 10.0624 10.0624 11.1487 11.1487 11.3782 11.3782 12.0505 12.0505 12.3695 12.3695 13.4031 13.4031 13.5030 13.5030 14.6649 14.6649 14.7769 14.7769 15.8027 15.8027 15.8416 15.8416 16.1871 16.1871 17.1797 17.1797 17.6465 17.6465 17.9698 17.9698 k = 0.5000 0.2852 0.2600 ( 2310 PWs) bands (ev): 1.2053 1.2053 2.2716 2.2716 8.2050 8.2050 9.5811 9.5811 9.8223 9.8223 10.0090 10.0090 10.1156 10.1156 11.1457 11.1457 11.3580 11.3580 12.0119 12.0119 12.4264 12.4264 13.4303 13.4303 13.5326 13.5326 14.6481 14.6481 14.7307 14.7307 15.7478 15.7478 15.9055 15.9055 16.2831 16.2831 17.1884 17.1884 17.6316 17.6316 18.1061 18.1061 k = 0.5000 0.2852 0.2438 ( 2310 PWs) bands (ev): 1.1831 1.1831 2.2402 2.2402 8.2020 8.2020 9.6578 9.6578 9.8305 9.8305 9.9964 9.9964 10.1688 10.1688 11.1424 11.1424 11.3384 11.3384 11.9693 11.9693 12.4844 12.4844 13.4567 13.4567 13.5623 13.5623 14.6149 14.6149 14.6962 14.6962 15.6854 15.6854 15.9829 15.9829 16.3784 16.3784 17.1974 17.1974 17.6235 17.6235 18.2331 18.2331 k = 0.5000 0.2852 0.2275 ( 2314 PWs) bands (ev): 1.1616 1.1616 2.2107 2.2107 8.1992 8.1992 9.7350 9.7350 9.8382 9.8382 9.9846 9.9846 10.2215 10.2215 11.1389 11.1389 11.3195 11.3195 11.9230 11.9230 12.5434 12.5434 13.4821 13.4821 13.5919 13.5919 14.5636 14.5636 14.6768 14.6768 15.6265 15.6265 16.0601 16.0601 16.4727 16.4727 17.2067 17.2067 17.6234 17.6234 18.3421 18.3421 k = 0.5000 0.2852 0.2113 ( 2318 PWs) bands (ev): 1.1410 1.1410 2.1831 2.1831 8.1965 8.1965 9.8122 9.8122 9.8459 9.8459 9.9736 9.9736 10.2734 10.2734 11.1352 11.1352 11.3013 11.3013 11.8732 11.8732 12.6033 12.6033 13.5064 13.5064 13.6211 13.6211 14.5036 14.5036 14.6643 14.6643 15.5719 15.5719 16.1339 16.1339 16.5654 16.5654 17.2162 17.2162 17.6329 17.6329 18.4192 18.4192 k = 0.5000 0.2852 0.1950 ( 2310 PWs) bands (ev): 1.1214 1.1214 2.1576 2.1576 8.1941 8.1941 9.8511 9.8511 9.8915 9.8915 9.9639 9.9639 10.3239 10.3239 11.1315 11.1315 11.2840 11.2840 11.8202 11.8202 12.6640 12.6640 13.5293 13.5293 13.6497 13.6497 14.4406 14.4406 14.6538 14.6538 15.5217 15.5217 16.2019 16.2019 16.6559 16.6559 17.2258 17.2258 17.6533 17.6533 18.4552 18.4552 k = 0.5000 0.2852 0.1788 ( 2308 PWs) bands (ev): 1.1030 1.1030 2.1340 2.1340 8.1919 8.1919 9.8579 9.8579 9.9495 9.9495 9.9744 9.9744 10.3725 10.3725 11.1276 11.1276 11.2677 11.2677 11.7642 11.7642 12.7252 12.7252 13.5506 13.5506 13.6775 13.6775 14.3766 14.3766 14.6442 14.6442 15.4761 15.4761 16.2621 16.2621 16.7436 16.7436 17.2355 17.2355 17.6858 17.6858 18.4577 18.4577 k = 0.5000 0.2852 0.1625 ( 2308 PWs) bands (ev): 1.0858 1.0858 2.1125 2.1125 8.1898 8.1898 9.8639 9.8639 9.9438 9.9438 10.0500 10.0500 10.4189 10.4189 11.1237 11.1237 11.2525 11.2525 11.7056 11.7056 12.7867 12.7867 13.5704 13.5704 13.7039 13.7039 14.3126 14.3126 14.6348 14.6348 15.4351 15.4351 16.3132 16.3132 16.8280 16.8280 17.2452 17.2452 17.7309 17.7309 18.4417 18.4417 k = 0.5000 0.2852 0.1463 ( 2308 PWs) bands (ev): 1.0700 1.0700 2.0930 2.0930 8.1880 8.1880 9.8693 9.8693 9.9363 9.9363 10.1280 10.1280 10.4624 10.4624 11.1200 11.1200 11.2384 11.2384 11.6447 11.6447 12.8483 12.8483 13.5886 13.5886 13.7289 13.7289 14.2494 14.2494 14.6254 14.6254 15.3985 15.3985 16.3548 16.3548 16.9081 16.9081 17.2547 17.2547 17.7885 17.7885 18.4176 18.4176 k = 0.5000 0.2852 0.1300 ( 2304 PWs) bands (ev): 1.0555 1.0555 2.0755 2.0755 8.1862 8.1862 9.8741 9.8741 9.9297 9.9297 10.2058 10.2058 10.5027 10.5027 11.1162 11.1162 11.2257 11.2257 11.5820 11.5820 12.9095 12.9095 13.6049 13.6049 13.7518 13.7518 14.1875 14.1875 14.6164 14.6164 15.3665 15.3665 16.3870 16.3870 16.9835 16.9835 17.2639 17.2639 17.8574 17.8574 18.3909 18.3909 k = 0.5000 0.2852 0.1138 ( 2304 PWs) bands (ev): 1.0426 1.0426 2.0600 2.0600 8.1847 8.1847 9.8782 9.8782 9.9239 9.9239 10.2826 10.2826 10.5395 10.5395 11.1126 11.1126 11.2143 11.2143 11.5181 11.5181 12.9697 12.9697 13.6194 13.6194 13.7723 13.7723 14.1277 14.1277 14.6076 14.6076 15.3387 15.3387 16.4107 16.4107 17.0530 17.0530 17.2726 17.2726 17.9355 17.9355 18.3642 18.3642 k = 0.5000 0.2852 0.0975 ( 2300 PWs) bands (ev): 1.0313 1.0313 2.0466 2.0466 8.1834 8.1834 9.8816 9.8816 9.9193 9.9193 10.3578 10.3578 10.5722 10.5722 11.1093 11.1093 11.2043 11.2043 11.4537 11.4537 13.0283 13.0283 13.6319 13.6319 13.7899 13.7899 14.0709 14.0709 14.5994 14.5994 15.3151 15.3151 16.4272 16.4272 17.1158 17.1158 17.2807 17.2807 18.0199 18.0199 18.3393 18.3393 k = 0.5000 0.2852 0.0813 ( 2304 PWs) bands (ev): 1.0216 1.0216 2.0353 2.0353 8.1822 8.1822 9.8840 9.8840 9.9158 9.9158 10.4305 10.4305 10.6007 10.6007 11.1062 11.1062 11.1959 11.1959 11.3898 11.3898 13.0843 13.0843 13.6424 13.6424 13.8037 13.8037 14.0187 14.0187 14.5919 14.5919 15.2954 15.2954 16.4380 16.4380 17.1710 17.1710 17.2880 17.2880 18.1066 18.1066 18.3171 18.3171 k = 0.5000 0.2852 0.0650 ( 2308 PWs) bands (ev): 1.0136 1.0136 2.0260 2.0260 8.1813 8.1813 9.8855 9.8855 9.9135 9.9135 10.4989 10.4989 10.6247 10.6247 11.1036 11.1036 11.1890 11.1890 11.3281 11.3281 13.1362 13.1362 13.6507 13.6507 13.8124 13.8124 13.9733 13.9733 14.5853 14.5853 15.2797 15.2797 16.4447 16.4447 17.2177 17.2177 17.2942 17.2942 18.1907 18.1907 18.2982 18.2982 k = 0.5000 0.2852 0.0488 ( 2304 PWs) bands (ev): 1.0073 1.0073 2.0187 2.0187 8.1805 8.1805 9.8863 9.8863 9.9122 9.9122 10.5604 10.5604 10.6444 10.6444 11.1015 11.1015 11.1837 11.1837 11.2710 11.2710 13.1819 13.1819 13.6569 13.6569 13.8143 13.8143 13.9384 13.9384 14.5800 14.5800 15.2676 15.2676 16.4485 16.4485 17.2550 17.2550 17.2993 17.2993 18.2654 18.2654 18.2842 18.2842 k = 0.5000 0.2852 0.0325 ( 2304 PWs) bands (ev): 1.0028 1.0028 2.0136 2.0136 8.1800 8.1800 9.8865 9.8865 9.9116 9.9116 10.6100 10.6100 10.6604 10.6604 11.1000 11.1000 11.1799 11.1799 11.2225 11.2225 13.2186 13.2186 13.6609 13.6609 13.8089 13.8089 13.9167 13.9167 14.5760 14.5760 15.2590 15.2590 16.4504 16.4504 17.2823 17.2823 17.3030 17.3030 18.2713 18.2713 18.3281 18.3281 k = 0.5000 0.2852 0.0163 ( 2300 PWs) bands (ev): 1.0001 1.0001 2.0105 2.0105 8.1797 8.1797 9.8864 9.8864 9.9115 9.9115 10.6402 10.6402 10.6744 10.6744 11.0993 11.0993 11.1776 11.1776 11.1885 11.1885 13.2429 13.2429 13.6629 13.6629 13.8009 13.8009 13.9068 13.9068 14.5736 14.5736 15.2539 15.2539 16.4512 16.4512 17.2988 17.2988 17.3054 17.3054 18.2648 18.2648 18.3676 18.3676 k = 0.5000 0.2852 0.0000 ( 2290 PWs) bands (ev): 0.9992 0.9992 2.0094 2.0094 8.1796 8.1796 9.8864 9.8864 9.9114 9.9114 10.6489 10.6489 10.6816 10.6816 11.0991 11.0991 11.1755 11.1755 11.1775 11.1775 13.2515 13.2515 13.6637 13.6637 13.7973 13.7973 13.9043 13.9043 14.5727 14.5727 15.2523 15.2523 16.4515 16.4515 17.3042 17.3042 17.3064 17.3064 18.2626 18.2626 18.3814 18.3814 k = 0.0000 0.0000 1.0092 ( 2274 PWs) bands (ev): 1.5512 1.5512 4.7390 4.7390 7.5378 7.5378 7.6590 7.6590 9.0548 9.0548 9.7851 9.7851 10.6635 10.6635 11.0199 11.0199 11.6959 11.6959 11.7761 11.7761 12.0050 12.0050 12.7740 12.7740 12.9143 12.9143 13.2162 13.2162 13.2714 13.2714 14.7501 14.7501 14.9318 14.9318 17.2316 17.2316 18.4578 18.4578 19.0564 19.0564 19.3281 19.3281 k = 0.0139 0.0079 1.0092 ( 2274 PWs) bands (ev): 1.5513 1.5513 4.7388 4.7388 7.5380 7.5380 7.6587 7.6587 9.0559 9.0559 9.7865 9.7865 10.6613 10.6613 11.0183 11.0183 11.6970 11.6970 11.7766 11.7766 12.0047 12.0047 12.7743 12.7743 12.9140 12.9140 13.2162 13.2162 13.2713 13.2713 14.7506 14.7506 14.9316 14.9316 17.2259 17.2259 18.4637 18.4637 19.0565 19.0565 19.3291 19.3291 k = 0.0278 0.0158 1.0092 ( 2274 PWs) bands (ev): 1.5513 1.5513 4.7383 4.7383 7.5385 7.5385 7.6579 7.6579 9.0591 9.0591 9.7908 9.7908 10.6546 10.6546 11.0138 11.0138 11.7003 11.7003 11.7780 11.7780 12.0037 12.0037 12.7750 12.7750 12.9131 12.9131 13.2164 13.2164 13.2710 13.2710 14.7520 14.7520 14.9308 14.9308 17.2092 17.2092 18.4807 18.4807 19.0566 19.0566 19.3322 19.3322 k = 0.0417 0.0238 1.0092 ( 2274 PWs) bands (ev): 1.5515 1.5515 4.7375 4.7375 7.5393 7.5393 7.6565 7.6565 9.0643 9.0643 9.7978 9.7978 10.6435 10.6435 11.0065 11.0065 11.7056 11.7056 11.7804 11.7804 12.0020 12.0020 12.7762 12.7762 12.9117 12.9117 13.2169 13.2169 13.2706 13.2706 14.7542 14.7542 14.9295 14.9295 17.1830 17.1830 18.5072 18.5072 19.0568 19.0568 19.3371 19.3371 k = 0.0556 0.0317 1.0092 ( 2274 PWs) bands (ev): 1.5516 1.5516 4.7363 4.7363 7.5404 7.5404 7.6547 7.6547 9.0715 9.0715 9.8075 9.8075 10.6285 10.6285 10.9965 10.9965 11.7128 11.7128 11.7835 11.7835 11.9996 11.9996 12.7780 12.7780 12.9097 12.9097 13.2175 13.2175 13.2700 13.2700 14.7574 14.7574 14.9277 14.9277 17.1495 17.1495 18.5405 18.5405 19.0571 19.0571 19.3435 19.3435 k = 0.0694 0.0396 1.0092 ( 2272 PWs) bands (ev): 1.5518 1.5518 4.7349 4.7349 7.5419 7.5419 7.6523 7.6523 9.0804 9.0804 9.8200 9.8200 10.6096 10.6096 10.9842 10.9842 11.7218 11.7218 11.7873 11.7873 11.9965 11.9965 12.7802 12.7802 12.9072 12.9072 13.2183 13.2183 13.2692 13.2692 14.7614 14.7614 14.9253 14.9253 17.1108 17.1108 18.5778 18.5778 19.0574 19.0574 19.3510 19.3510 k = 0.0833 0.0475 1.0092 ( 2272 PWs) bands (ev): 1.5520 1.5520 4.7333 4.7333 7.5437 7.5437 7.6495 7.6495 9.0908 9.0908 9.8350 9.8350 10.5872 10.5872 10.9700 10.9700 11.7321 11.7321 11.7917 11.7917 11.9928 11.9928 12.7828 12.7828 12.9041 12.9041 13.2191 13.2191 13.2683 13.2683 14.7661 14.7661 14.9225 14.9225 17.0689 17.0689 18.6167 18.6167 19.0578 19.0578 19.3589 19.3589 k = 0.0972 0.0554 1.0092 ( 2268 PWs) bands (ev): 1.5523 1.5523 4.7315 4.7315 7.5458 7.5458 7.6463 7.6463 9.1025 9.1025 9.8526 9.8526 10.5618 10.5618 10.9542 10.9542 11.7435 11.7435 11.7964 11.7964 11.9884 11.9884 12.7859 12.7859 12.9006 12.9006 13.2202 13.2202 13.2673 13.2673 14.7715 14.7715 14.9192 14.9192 17.0258 17.0258 18.6550 18.6550 19.0582 19.0582 19.3668 19.3668 k = 0.1111 0.0634 1.0092 ( 2274 PWs) bands (ev): 1.5526 1.5526 4.7296 4.7296 7.5482 7.5482 7.6427 7.6427 9.1151 9.1151 9.8726 9.8726 10.5336 10.5336 10.9374 10.9374 11.7557 11.7557 11.8013 11.8013 11.9833 11.9833 12.7894 12.7894 12.8967 12.8967 13.2213 13.2213 13.2661 13.2661 14.7775 14.7775 14.9153 14.9153 16.9828 16.9828 18.6911 18.6911 19.0586 19.0586 19.3742 19.3742 k = 0.1250 0.0713 1.0092 ( 2290 PWs) bands (ev): 1.5528 1.5528 4.7276 4.7276 7.5508 7.5508 7.6388 7.6388 9.1283 9.1283 9.8950 9.8950 10.5031 10.5031 10.9199 10.9199 11.7686 11.7686 11.8063 11.8063 11.9774 11.9774 12.7933 12.7933 12.8922 12.8922 13.2224 13.2224 13.2648 13.2648 14.7840 14.7840 14.9109 14.9109 16.9413 16.9413 18.7240 18.7240 19.0589 19.0589 19.3808 19.3808 k = 0.1389 0.0792 1.0092 ( 2290 PWs) bands (ev): 1.5531 1.5531 4.7256 4.7256 7.5537 7.5537 7.6347 7.6347 9.1417 9.1417 9.9195 9.9195 10.4707 10.4707 10.9024 10.9024 11.7817 11.7817 11.8114 11.8114 11.9710 11.9710 12.7976 12.7976 12.8874 12.8874 13.2237 13.2237 13.2635 13.2635 14.7910 14.7910 14.9061 14.9061 16.9022 16.9022 18.7531 18.7531 19.0593 19.0593 19.3864 19.3864 k = 0.1528 0.0871 1.0092 ( 2296 PWs) bands (ev): 1.5534 1.5534 4.7237 4.7237 7.5568 7.5568 7.6305 7.6305 9.1549 9.1549 9.9460 9.9460 10.4366 10.4366 10.8853 10.8853 11.7945 11.7945 11.8168 11.8168 11.9638 11.9638 12.8022 12.8022 12.8823 12.8823 13.2250 13.2250 13.2621 13.2621 14.7984 14.7984 14.9008 14.9008 16.8663 16.8663 18.7782 18.7782 19.0596 19.0596 19.3910 19.3910 k = 0.1667 0.0951 1.0092 ( 2296 PWs) bands (ev): 1.5536 1.5536 4.7219 4.7219 7.5601 7.5601 7.6261 7.6261 9.1675 9.1675 9.9745 9.9745 10.4013 10.4013 10.8692 10.8692 11.8061 11.8061 11.8230 11.8230 11.9561 11.9561 12.8071 12.8071 12.8770 12.8770 13.2264 13.2264 13.2607 13.2607 14.8061 14.8061 14.8951 14.8951 16.8342 16.8342 18.7994 18.7994 19.0598 19.0598 19.3946 19.3946 k = 0.1806 0.1030 1.0092 ( 2290 PWs) bands (ev): 1.5539 1.5539 4.7203 4.7203 7.5634 7.5634 7.6218 7.6218 9.1791 9.1791 10.0046 10.0046 10.3650 10.3650 10.8545 10.8545 11.8150 11.8150 11.8316 11.8316 11.9478 11.9478 12.8123 12.8123 12.8713 12.8713 13.2277 13.2277 13.2594 13.2594 14.8141 14.8141 14.8890 14.8890 16.8063 16.8063 18.8169 18.8169 19.0601 19.0601 19.3973 19.3973 k = 0.1944 0.1109 1.0092 ( 2296 PWs) bands (ev): 1.5540 1.5540 4.7190 4.7190 7.5667 7.5667 7.6176 7.6176 9.1892 9.1892 10.0363 10.0363 10.3281 10.3281 10.8418 10.8418 11.8205 11.8205 11.8426 11.8426 11.9388 11.9388 12.8178 12.8178 12.8655 12.8655 13.2289 13.2289 13.2581 13.2581 14.8221 14.8221 14.8825 14.8825 16.7831 16.7831 18.8308 18.8308 19.0602 19.0602 19.3993 19.3993 k = 0.2083 0.1188 1.0092 ( 2296 PWs) bands (ev): 1.5542 1.5542 4.7178 4.7178 7.5698 7.5698 7.6138 7.6138 9.1975 9.1975 10.0693 10.0693 10.2910 10.2910 10.8314 10.8314 11.8239 11.8239 11.8545 11.8545 11.9295 11.9295 12.8235 12.8235 12.8595 12.8595 13.2300 13.2300 13.2570 13.2570 14.8303 14.8303 14.8757 14.8757 16.7647 16.7647 18.8414 18.8414 19.0604 19.0604 19.4006 19.4006 k = 0.2222 0.1267 1.0092 ( 2296 PWs) bands (ev): 1.5543 1.5543 4.7170 4.7170 7.5725 7.5725 7.6107 7.6107 9.2036 9.2036 10.1033 10.1033 10.2541 10.2541 10.8237 10.8237 11.8262 11.8262 11.8661 11.8661 11.9201 11.9201 12.8294 12.8294 12.8534 12.8534 13.2309 13.2309 13.2561 13.2561 14.8383 14.8383 14.8685 14.8685 16.7515 16.7515 18.8488 18.8488 19.0604 19.0604 19.4015 19.4015 k = 0.2361 0.1347 1.0092 ( 2292 PWs) bands (ev): 1.5544 1.5544 4.7165 4.7165 7.5743 7.5743 7.6086 7.6086 9.2074 9.2074 10.1373 10.1373 10.2183 10.2183 10.8190 10.8190 11.8275 11.8275 11.8763 11.8763 11.9114 11.9114 12.8354 12.8354 12.8473 12.8473 13.2314 13.2314 13.2556 13.2556 14.8464 14.8464 14.8611 14.8611 16.7435 16.7435 18.8532 18.8532 19.0605 19.0605 19.4020 19.4020 k = 0.2500 0.1426 1.0092 ( 2296 PWs) bands (ev): 1.5544 1.5544 4.7163 4.7163 7.5748 7.5748 7.6079 7.6079 9.2087 9.2087 10.1615 10.1615 10.1934 10.1934 10.8174 10.8174 11.8278 11.8278 11.8813 11.8813 11.9068 11.9068 12.8409 12.8409 12.8416 12.8416 13.2315 13.2315 13.2554 13.2554 14.8533 14.8533 14.8543 14.8543 16.7408 16.7408 18.8547 18.8547 19.0605 19.0605 19.4021 19.4021 Writing output data file ZrxNiPx2.save init_run : 0.20s CPU 0.34s WALL ( 1 calls) electrons : 190.18s CPU 193.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 190.18s CPU 193.07s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 402 calls) cegterg : 172.53s CPU 174.88s WALL ( 681 calls) Called by sum_band: Called by *egterg: h_psi : 118.16s CPU 119.99s WALL ( 10940 calls) s_psi : 5.80s CPU 5.96s WALL ( 10940 calls) g_psi : 0.14s CPU 0.18s WALL ( 9857 calls) cdiaghg : 51.48s CPU 52.36s WALL ( 10259 calls) cegterg:over : 4.39s CPU 4.36s WALL ( 9857 calls) cegterg:upda : 3.23s CPU 3.12s WALL ( 9857 calls) cegterg:last : 1.87s CPU 1.95s WALL ( 1889 calls) cdiaghg:chol : 2.64s CPU 2.80s WALL ( 10259 calls) cdiaghg:inve : 1.68s CPU 1.54s WALL ( 10259 calls) cdiaghg:para : 3.00s CPU 2.98s WALL ( 20518 calls) Called by h_psi: h_psi:vloc : 105.47s CPU 106.90s WALL ( 10940 calls) h_psi:vnl : 12.50s CPU 12.92s WALL ( 10940 calls) add_vuspsi : 6.90s CPU 7.17s WALL ( 10940 calls) General routines calbec : 5.55s CPU 5.73s WALL ( 10940 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 100.00s CPU 101.42s WALL ( 1004768 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.22s WALL ( 804 calls) Parallel routines fft_scatter : 31.57s CPU 32.29s WALL ( 1004791 calls) PWSCF : 3m23.42s CPU 3m54.47s WALL This run was terminated on: 21: 5:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=