Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 14:43: 0 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CsFeS2.save/ file Fe.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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 66 66 18 2061 2061 293 Max 67 67 19 2066 2066 295 Sum 4799 4799 1317 148549 148549 21165 bravais-lattice index = 14 lattice parameter (alat) = 14.0167 a.u. unit-cell volume = 1536.4923 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.016717 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.733023 celldm(5)= -0.543156 celldm(6)= 0.276180 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.276180 0.961106 0.000000 ) a(3) = ( -0.543156 -0.606608 0.580524 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.287356 0.635364 ) b(2) = ( 0.000000 1.040468 1.087218 ) b(3) = ( 0.000000 0.000000 1.722582 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Fe 8.00 55.84500 Fe( 1.00) Cs 9.00 132.90550 Cs( 1.00) 2 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( -0.0083972 0.0111500 0.0182592), wk = 0.0034483 k( 3) = ( -0.0167944 0.0223001 0.0365184), wk = 0.0034483 k( 4) = ( -0.0251917 0.0334501 0.0547777), wk = 0.0034483 k( 5) = ( -0.0335889 0.0446001 0.0730369), wk = 0.0034483 k( 6) = ( -0.0419861 0.0557502 0.0912961), wk = 0.0034483 k( 7) = ( -0.0503833 0.0669002 0.1095553), wk = 0.0034483 k( 8) = ( -0.0587806 0.0780502 0.1278145), wk = 0.0034483 k( 9) = ( -0.0671778 0.0892003 0.1460737), wk = 0.0034483 k( 10) = ( -0.0755750 0.1003503 0.1643330), wk = 0.0034483 k( 11) = ( -0.0839722 0.1115003 0.1825922), wk = 0.0034483 k( 12) = ( -0.0923695 0.1226504 0.2008514), wk = 0.0034483 k( 13) = ( -0.1007667 0.1338004 0.2191106), wk = 0.0034483 k( 14) = ( -0.1091639 0.1449504 0.2373699), wk = 0.0034483 k( 15) = ( -0.1175611 0.1561005 0.2556291), wk = 0.0034483 k( 16) = ( -0.1259583 0.1672505 0.2738883), wk = 0.0034483 k( 17) = ( -0.1343556 0.1784005 0.2921475), wk = 0.0034483 k( 18) = ( -0.1427528 0.1895506 0.3104067), wk = 0.0034483 k( 19) = ( -0.1511500 0.2007006 0.3286659), wk = 0.0034483 k( 20) = ( -0.1595472 0.2118506 0.3469251), wk = 0.0034483 k( 21) = ( -0.1679445 0.2230007 0.3651844), wk = 0.0034483 k( 22) = ( -0.1763417 0.2341507 0.3834436), wk = 0.0034483 k( 23) = ( -0.1847389 0.2453007 0.4017028), wk = 0.0034483 k( 24) = ( -0.1931361 0.2564508 0.4199620), wk = 0.0034483 k( 25) = ( -0.2015333 0.2676008 0.4382213), wk = 0.0034483 k( 26) = ( -0.2099306 0.2787508 0.4564805), wk = 0.0034483 k( 27) = ( -0.2183278 0.2899008 0.4747397), wk = 0.0034483 k( 28) = ( -0.2267250 0.3010509 0.4929989), wk = 0.0034483 k( 29) = ( -0.2351222 0.3122009 0.5112581), wk = 0.0034483 k( 30) = ( -0.2435195 0.3233509 0.5295173), wk = 0.0034483 k( 31) = ( -0.2519167 0.3345010 0.5477766), wk = 0.0034483 k( 32) = ( -0.2603139 0.3456510 0.5660358), wk = 0.0034483 k( 33) = ( -0.2687111 0.3568010 0.5842950), wk = 0.0034483 k( 34) = ( -0.2771084 0.3679511 0.6025542), wk = 0.0034483 k( 35) = ( -0.2855056 0.3791011 0.6208134), wk = 0.0034483 k( 36) = ( -0.2939028 0.3902511 0.6390727), wk = 0.0034483 k( 37) = ( -0.3023000 0.4014012 0.6573319), wk = 0.0034483 k( 38) = ( -0.3023000 0.4014012 0.6573319), wk = 0.0034483 k( 39) = ( -0.2915996 0.3871930 0.6709292), wk = 0.0034483 k( 40) = ( -0.2808993 0.3729847 0.6845264), wk = 0.0034483 k( 41) = ( -0.2701989 0.3587765 0.6981237), wk = 0.0034483 k( 42) = ( -0.2594985 0.3445683 0.7117209), wk = 0.0034483 k( 43) = ( -0.2487981 0.3303601 0.7253182), wk = 0.0034483 k( 44) = ( -0.2380978 0.3161519 0.7389155), wk = 0.0034483 k( 45) = ( -0.2273974 0.3019437 0.7525127), wk = 0.0034483 k( 46) = ( -0.2166970 0.2877355 0.7661100), wk = 0.0034483 k( 47) = ( -0.2059967 0.2735273 0.7797073), wk = 0.0034483 k( 48) = ( -0.1952963 0.2593191 0.7933045), wk = 0.0034483 k( 49) = ( -0.1845959 0.2451108 0.8069018), wk = 0.0034483 k( 50) = ( -0.1738955 0.2309026 0.8204991), wk = 0.0034483 k( 51) = ( -0.1631952 0.2166944 0.8340963), wk = 0.0034483 k( 52) = ( -0.1524948 0.2024862 0.8476936), wk = 0.0034483 k( 53) = ( -0.1417944 0.1882780 0.8612909), wk = 0.0034483 k( 54) = ( -0.1417944 0.1882780 0.8612909), wk = 0.0034483 k( 55) = ( -0.1276150 0.1694502 0.8612909), wk = 0.0034483 k( 56) = ( -0.1134355 0.1506224 0.8612909), wk = 0.0034483 k( 57) = ( -0.0992561 0.1317946 0.8612909), wk = 0.0034483 k( 58) = ( -0.0850766 0.1129668 0.8612909), wk = 0.0034483 k( 59) = ( -0.0708972 0.0941390 0.8612909), wk = 0.0034483 k( 60) = ( -0.0567178 0.0753112 0.8612909), wk = 0.0034483 k( 61) = ( -0.0425383 0.0564834 0.8612909), wk = 0.0034483 k( 62) = ( -0.0283589 0.0376556 0.8612909), wk = 0.0034483 k( 63) = ( -0.0141794 0.0188278 0.8612909), wk = 0.0034483 k( 64) = ( 0.0000000 0.0000000 0.8612909), wk = 0.0034483 k( 65) = ( 0.0000000 0.0000000 0.8612909), wk = 0.0034483 k( 66) = ( 0.0178571 0.0134484 0.8612909), wk = 0.0034483 k( 67) = ( 0.0357143 0.0268969 0.8612909), wk = 0.0034483 k( 68) = ( 0.0535714 0.0403453 0.8612909), wk = 0.0034483 k( 69) = ( 0.0714286 0.0537937 0.8612909), wk = 0.0034483 k( 70) = ( 0.0892857 0.0672421 0.8612909), wk = 0.0034483 k( 71) = ( 0.1071429 0.0806906 0.8612909), wk = 0.0034483 k( 72) = ( 0.1250000 0.0941390 0.8612909), wk = 0.0034483 k( 73) = ( 0.1428571 0.1075874 0.8612909), wk = 0.0034483 k( 74) = ( 0.1607143 0.1210359 0.8612909), wk = 0.0034483 k( 75) = ( 0.1785714 0.1344843 0.8612909), wk = 0.0034483 k( 76) = ( 0.1964286 0.1479327 0.8612909), wk = 0.0034483 k( 77) = ( 0.2142857 0.1613811 0.8612909), wk = 0.0034483 k( 78) = ( 0.2321429 0.1748296 0.8612909), wk = 0.0034483 k( 79) = ( 0.2500000 0.1882780 0.8612909), wk = 0.0034483 k( 80) = ( 0.2500000 0.1882780 0.8612909), wk = 0.0034483 k( 81) = ( 0.2391304 0.2027109 0.8474786), wk = 0.0034483 k( 82) = ( 0.2282609 0.2171437 0.8336663), wk = 0.0034483 k( 83) = ( 0.2173913 0.2315766 0.8198541), wk = 0.0034483 k( 84) = ( 0.2065217 0.2460095 0.8060418), wk = 0.0034483 k( 85) = ( 0.1956522 0.2604423 0.7922296), wk = 0.0034483 k( 86) = ( 0.1847826 0.2748752 0.7784173), wk = 0.0034483 k( 87) = ( 0.1739130 0.2893081 0.7646050), wk = 0.0034483 k( 88) = ( 0.1630435 0.3037409 0.7507928), wk = 0.0034483 k( 89) = ( 0.1521739 0.3181738 0.7369805), wk = 0.0034483 k( 90) = ( 0.1413043 0.3326067 0.7231683), wk = 0.0034483 k( 91) = ( 0.1304348 0.3470395 0.7093560), wk = 0.0034483 k( 92) = ( 0.1195652 0.3614724 0.6955437), wk = 0.0034483 k( 93) = ( 0.1086957 0.3759053 0.6817315), wk = 0.0034483 k( 94) = ( 0.0978261 0.3903381 0.6679192), wk = 0.0034483 k( 95) = ( 0.0869565 0.4047710 0.6541069), wk = 0.0034483 k( 96) = ( 0.0760870 0.4192039 0.6402947), wk = 0.0034483 k( 97) = ( 0.0652174 0.4336367 0.6264824), wk = 0.0034483 k( 98) = ( 0.0543478 0.4480696 0.6126702), wk = 0.0034483 k( 99) = ( 0.0434783 0.4625025 0.5988579), wk = 0.0034483 k( 100) = ( 0.0326087 0.4769353 0.5850456), wk = 0.0034483 k( 101) = ( 0.0217391 0.4913682 0.5712334), wk = 0.0034483 k( 102) = ( 0.0108696 0.5058011 0.5574211), wk = 0.0034483 k( 103) = ( 0.0000000 0.5202339 0.5436089), wk = 0.0034483 k( 104) = ( 0.0000000 0.5202339 0.5436089), wk = 0.0034483 k( 105) = ( 0.0201533 0.5281561 0.5360273), wk = 0.0034483 k( 106) = ( 0.0403067 0.5360783 0.5284458), wk = 0.0034483 k( 107) = ( 0.0604600 0.5440005 0.5208643), wk = 0.0034483 k( 108) = ( 0.0806133 0.5519227 0.5132827), wk = 0.0034483 k( 109) = ( 0.1007667 0.5598449 0.5057012), wk = 0.0034483 k( 110) = ( 0.1209200 0.5677671 0.4981196), wk = 0.0034483 k( 111) = ( 0.1410733 0.5756892 0.4905381), wk = 0.0034483 k( 112) = ( 0.1612267 0.5836114 0.4829566), wk = 0.0034483 k( 113) = ( 0.1813800 0.5915336 0.4753751), wk = 0.0034483 k( 114) = ( 0.2015333 0.5994558 0.4677935), wk = 0.0034483 k( 115) = ( 0.2216867 0.6073780 0.4602120), wk = 0.0034483 k( 116) = ( 0.2418400 0.6153002 0.4526304), wk = 0.0034483 k( 117) = ( 0.2619934 0.6232223 0.4450489), wk = 0.0034483 k( 118) = ( 0.2821467 0.6311445 0.4374674), wk = 0.0034483 k( 119) = ( 0.3023000 0.6390667 0.4298858), wk = 0.0034483 k( 120) = ( 0.3023000 0.6390667 0.4298858), wk = 0.0034483 k( 121) = ( 0.3108957 0.6276532 0.4111952), wk = 0.0034483 k( 122) = ( 0.3194913 0.6162397 0.3925044), wk = 0.0034483 k( 123) = ( 0.3280870 0.6048262 0.3738138), wk = 0.0034483 k( 124) = ( 0.3366826 0.5934127 0.3551231), wk = 0.0034483 k( 125) = ( 0.3452783 0.5819992 0.3364324), wk = 0.0034483 k( 126) = ( 0.3538739 0.5705857 0.3177417), wk = 0.0034483 k( 127) = ( 0.3624696 0.5591721 0.2990510), wk = 0.0034483 k( 128) = ( 0.3710652 0.5477586 0.2803603), wk = 0.0034483 k( 129) = ( 0.3796609 0.5363451 0.2616696), wk = 0.0034483 k( 130) = ( 0.3882565 0.5249316 0.2429790), wk = 0.0034483 k( 131) = ( 0.3968522 0.5135181 0.2242883), wk = 0.0034483 k( 132) = ( 0.4054478 0.5021046 0.2055976), wk = 0.0034483 k( 133) = ( 0.4140435 0.4906911 0.1869069), wk = 0.0034483 k( 134) = ( 0.4226391 0.4792776 0.1682162), wk = 0.0034483 k( 135) = ( 0.4312348 0.4678641 0.1495255), wk = 0.0034483 k( 136) = ( 0.4398304 0.4564506 0.1308348), wk = 0.0034483 k( 137) = ( 0.4484261 0.4450370 0.1121441), wk = 0.0034483 k( 138) = ( 0.4570217 0.4336235 0.0934535), wk = 0.0034483 k( 139) = ( 0.4656174 0.4222100 0.0747627), wk = 0.0034483 k( 140) = ( 0.4742131 0.4107965 0.0560721), wk = 0.0034483 k( 141) = ( 0.4828087 0.3993830 0.0373814), wk = 0.0034483 k( 142) = ( 0.4914043 0.3879695 0.0186907), wk = 0.0034483 k( 143) = ( 0.5000000 0.3765560 0.0000000), wk = 0.0034483 k( 144) = ( 0.5000000 0.3765560 0.0000000), wk = 0.0034483 k( 145) = ( 0.4814815 0.3626095 0.0000000), wk = 0.0034483 k( 146) = ( 0.4629630 0.3486629 0.0000000), wk = 0.0034483 k( 147) = ( 0.4444444 0.3347164 0.0000000), wk = 0.0034483 k( 148) = ( 0.4259259 0.3207699 0.0000000), wk = 0.0034483 k( 149) = ( 0.4074074 0.3068234 0.0000000), wk = 0.0034483 k( 150) = ( 0.3888889 0.2928769 0.0000000), wk = 0.0034483 k( 151) = ( 0.3703704 0.2789304 0.0000000), wk = 0.0034483 k( 152) = ( 0.3518519 0.2649838 0.0000000), wk = 0.0034483 k( 153) = ( 0.3333333 0.2510373 0.0000000), wk = 0.0034483 k( 154) = ( 0.3148148 0.2370908 0.0000000), wk = 0.0034483 k( 155) = ( 0.2962963 0.2231443 0.0000000), wk = 0.0034483 k( 156) = ( 0.2777778 0.2091978 0.0000000), wk = 0.0034483 k( 157) = ( 0.2592593 0.1952512 0.0000000), wk = 0.0034483 k( 158) = ( 0.2407407 0.1813047 0.0000000), wk = 0.0034483 k( 159) = ( 0.2222222 0.1673582 0.0000000), wk = 0.0034483 k( 160) = ( 0.2037037 0.1534117 0.0000000), wk = 0.0034483 k( 161) = ( 0.1851852 0.1394652 0.0000000), wk = 0.0034483 k( 162) = ( 0.1666667 0.1255187 0.0000000), wk = 0.0034483 k( 163) = ( 0.1481482 0.1115721 0.0000000), wk = 0.0034483 k( 164) = ( 0.1296296 0.0976256 0.0000000), wk = 0.0034483 k( 165) = ( 0.1111111 0.0836791 0.0000000), wk = 0.0034483 k( 166) = ( 0.0925926 0.0697326 0.0000000), wk = 0.0034483 k( 167) = ( 0.0740741 0.0557861 0.0000000), wk = 0.0034483 k( 168) = ( 0.0555556 0.0418396 0.0000000), wk = 0.0034483 k( 169) = ( 0.0370370 0.0278930 0.0000000), wk = 0.0034483 k( 170) = ( 0.0185185 0.0139465 0.0000000), wk = 0.0034483 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 173) = ( 0.0109514 -0.0145416 0.0139163), wk = 0.0034483 k( 174) = ( 0.0219029 -0.0290831 0.0278326), wk = 0.0034483 k( 175) = ( 0.0328543 -0.0436247 0.0417489), wk = 0.0034483 k( 176) = ( 0.0438057 -0.0581663 0.0556652), wk = 0.0034483 k( 177) = ( 0.0547572 -0.0727079 0.0695815), wk = 0.0034483 k( 178) = ( 0.0657086 -0.0872494 0.0834977), wk = 0.0034483 k( 179) = ( 0.0766600 -0.1017910 0.0974140), wk = 0.0034483 k( 180) = ( 0.0876114 -0.1163326 0.1113303), wk = 0.0034483 k( 181) = ( 0.0985629 -0.1308742 0.1252466), wk = 0.0034483 k( 182) = ( 0.1095143 -0.1454157 0.1391629), wk = 0.0034483 k( 183) = ( 0.1204657 -0.1599573 0.1530792), wk = 0.0034483 k( 184) = ( 0.1314172 -0.1744989 0.1669955), wk = 0.0034483 k( 185) = ( 0.1423686 -0.1890404 0.1809118), wk = 0.0034483 k( 186) = ( 0.1533200 -0.2035820 0.1948281), wk = 0.0034483 k( 187) = ( 0.1642715 -0.2181236 0.2087444), wk = 0.0034483 k( 188) = ( 0.1752229 -0.2326652 0.2226607), wk = 0.0034483 k( 189) = ( 0.1861743 -0.2472067 0.2365770), wk = 0.0034483 k( 190) = ( 0.1971258 -0.2617483 0.2504932), wk = 0.0034483 k( 191) = ( 0.2080772 -0.2762899 0.2644095), wk = 0.0034483 k( 192) = ( 0.2190286 -0.2908314 0.2783258), wk = 0.0034483 k( 193) = ( 0.2299801 -0.3053730 0.2922421), wk = 0.0034483 k( 194) = ( 0.2409315 -0.3199146 0.3061584), wk = 0.0034483 k( 195) = ( 0.2518829 -0.3344562 0.3200747), wk = 0.0034483 k( 196) = ( 0.2628344 -0.3489977 0.3339910), wk = 0.0034483 k( 197) = ( 0.2737858 -0.3635393 0.3479073), wk = 0.0034483 k( 198) = ( 0.2847372 -0.3780809 0.3618236), wk = 0.0034483 k( 199) = ( 0.2956887 -0.3926224 0.3757399), wk = 0.0034483 k( 200) = ( 0.3066401 -0.4071640 0.3896562), wk = 0.0034483 k( 201) = ( 0.3175915 -0.4217056 0.4035725), wk = 0.0034483 k( 202) = ( 0.3285430 -0.4362472 0.4174887), wk = 0.0034483 k( 203) = ( 0.3394944 -0.4507887 0.4314050), wk = 0.0034483 k( 204) = ( 0.3394944 -0.4507887 0.4314050), wk = 0.0034483 k( 205) = ( 0.3495260 -0.4315943 0.4242973), wk = 0.0034483 k( 206) = ( 0.3595576 -0.4123999 0.4171897), wk = 0.0034483 k( 207) = ( 0.3695892 -0.3932055 0.4100820), wk = 0.0034483 k( 208) = ( 0.3796208 -0.3740110 0.4029743), wk = 0.0034483 k( 209) = ( 0.3896524 -0.3548166 0.3958666), wk = 0.0034483 k( 210) = ( 0.3996840 -0.3356222 0.3887589), wk = 0.0034483 k( 211) = ( 0.4097156 -0.3164278 0.3816512), wk = 0.0034483 k( 212) = ( 0.4197472 -0.2972333 0.3745435), wk = 0.0034483 k( 213) = ( 0.4297788 -0.2780389 0.3674358), wk = 0.0034483 k( 214) = ( 0.4398104 -0.2588445 0.3603281), wk = 0.0034483 k( 215) = ( 0.4498420 -0.2396501 0.3532205), wk = 0.0034483 k( 216) = ( 0.4598736 -0.2204557 0.3461128), wk = 0.0034483 k( 217) = ( 0.4699052 -0.2012612 0.3390051), wk = 0.0034483 k( 218) = ( 0.4799368 -0.1820668 0.3318974), wk = 0.0034483 k( 219) = ( 0.4899684 -0.1628724 0.3247897), wk = 0.0034483 k( 220) = ( 0.5000000 -0.1436780 0.3176820), wk = 0.0034483 k( 221) = ( 0.5000000 -0.1436780 0.3176820), wk = 0.0034483 k( 222) = ( 0.4913793 -0.1322312 0.3364271), wk = 0.0034483 k( 223) = ( 0.4827586 -0.1207844 0.3551723), wk = 0.0034483 k( 224) = ( 0.4741379 -0.1093377 0.3739174), wk = 0.0034483 k( 225) = ( 0.4655172 -0.0978909 0.3926625), wk = 0.0034483 k( 226) = ( 0.4568966 -0.0864442 0.4114077), wk = 0.0034483 k( 227) = ( 0.4482759 -0.0749974 0.4301528), wk = 0.0034483 k( 228) = ( 0.4396552 -0.0635507 0.4488979), wk = 0.0034483 k( 229) = ( 0.4310345 -0.0521039 0.4676431), wk = 0.0034483 k( 230) = ( 0.4224138 -0.0406571 0.4863882), wk = 0.0034483 k( 231) = ( 0.4137931 -0.0292104 0.5051334), wk = 0.0034483 k( 232) = ( 0.4051724 -0.0177636 0.5238785), wk = 0.0034483 k( 233) = ( 0.3965517 -0.0063169 0.5426236), wk = 0.0034483 k( 234) = ( 0.3879310 0.0051299 0.5613688), wk = 0.0034483 k( 235) = ( 0.3793103 0.0165766 0.5801139), wk = 0.0034483 k( 236) = ( 0.3706897 0.0280234 0.5988590), wk = 0.0034483 k( 237) = ( 0.3620690 0.0394701 0.6176041), wk = 0.0034483 k( 238) = ( 0.3534483 0.0509169 0.6363493), wk = 0.0034483 k( 239) = ( 0.3448276 0.0623637 0.6550944), wk = 0.0034483 k( 240) = ( 0.3362069 0.0738104 0.6738395), wk = 0.0034483 k( 241) = ( 0.3275862 0.0852572 0.6925847), wk = 0.0034483 k( 242) = ( 0.3189655 0.0967039 0.7113298), wk = 0.0034483 k( 243) = ( 0.3103448 0.1081507 0.7300749), wk = 0.0034483 k( 244) = ( 0.3017241 0.1195974 0.7488201), wk = 0.0034483 k( 245) = ( 0.2931034 0.1310442 0.7675652), wk = 0.0034483 k( 246) = ( 0.2844828 0.1424910 0.7863103), wk = 0.0034483 k( 247) = ( 0.2758621 0.1539377 0.8050555), wk = 0.0034483 k( 248) = ( 0.2672414 0.1653845 0.8238006), wk = 0.0034483 k( 249) = ( 0.2586207 0.1768312 0.8425457), wk = 0.0034483 k( 250) = ( 0.2500000 0.1882780 0.8612909), wk = 0.0034483 k( 251) = ( 0.1417944 -0.1882780 0.8612909), wk = 0.0034483 k( 252) = ( 0.1503901 -0.1996915 0.8426002), wk = 0.0034483 k( 253) = ( 0.1589857 -0.2111050 0.8239095), wk = 0.0034483 k( 254) = ( 0.1675814 -0.2225185 0.8052188), wk = 0.0034483 k( 255) = ( 0.1761770 -0.2339320 0.7865281), wk = 0.0034483 k( 256) = ( 0.1847727 -0.2453455 0.7678374), wk = 0.0034483 k( 257) = ( 0.1933683 -0.2567590 0.7491467), wk = 0.0034483 k( 258) = ( 0.2019640 -0.2681726 0.7304561), wk = 0.0034483 k( 259) = ( 0.2105596 -0.2795861 0.7117654), wk = 0.0034483 k( 260) = ( 0.2191553 -0.2909996 0.6930747), wk = 0.0034483 k( 261) = ( 0.2277509 -0.3024131 0.6743840), wk = 0.0034483 k( 262) = ( 0.2363466 -0.3138266 0.6556933), wk = 0.0034483 k( 263) = ( 0.2449422 -0.3252401 0.6370026), wk = 0.0034483 k( 264) = ( 0.2535379 -0.3366536 0.6183119), wk = 0.0034483 k( 265) = ( 0.2621335 -0.3480671 0.5996212), wk = 0.0034483 k( 266) = ( 0.2707292 -0.3594806 0.5809305), wk = 0.0034483 k( 267) = ( 0.2793248 -0.3708941 0.5622399), wk = 0.0034483 k( 268) = ( 0.2879205 -0.3823077 0.5435492), wk = 0.0034483 k( 269) = ( 0.2965161 -0.3937212 0.5248585), wk = 0.0034483 k( 270) = ( 0.3051118 -0.4051347 0.5061678), wk = 0.0034483 k( 271) = ( 0.3137074 -0.4165482 0.4874771), wk = 0.0034483 k( 272) = ( 0.3223031 -0.4279617 0.4687864), wk = 0.0034483 k( 273) = ( 0.3308987 -0.4393752 0.4500957), wk = 0.0034483 k( 274) = ( 0.3394944 -0.4507887 0.4314050), wk = 0.0034483 k( 275) = ( 0.6605056 0.1634328 0.2039590), wk = 0.0034483 k( 276) = ( 0.6498052 0.1776410 0.1903617), wk = 0.0034483 k( 277) = ( 0.6391049 0.1918492 0.1767645), wk = 0.0034483 k( 278) = ( 0.6284045 0.2060574 0.1631672), wk = 0.0034483 k( 279) = ( 0.6177041 0.2202656 0.1495699), wk = 0.0034483 k( 280) = ( 0.6070037 0.2344739 0.1359727), wk = 0.0034483 k( 281) = ( 0.5963034 0.2486821 0.1223754), wk = 0.0034483 k( 282) = ( 0.5856030 0.2628903 0.1087781), wk = 0.0034483 k( 283) = ( 0.5749026 0.2770985 0.0951809), wk = 0.0034483 k( 284) = ( 0.5642023 0.2913067 0.0815836), wk = 0.0034483 k( 285) = ( 0.5535019 0.3055149 0.0679863), wk = 0.0034483 k( 286) = ( 0.5428015 0.3197231 0.0543891), wk = 0.0034483 k( 287) = ( 0.5321011 0.3339313 0.0407918), wk = 0.0034483 k( 288) = ( 0.5214007 0.3481396 0.0271945), wk = 0.0034483 k( 289) = ( 0.5107004 0.3623478 0.0135973), wk = 0.0034483 k( 290) = ( 0.5000000 0.3765560 0.0000000), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( -0.0083972 0.0083972 0.0083972), wk = 0.0034483 k( 3) = ( -0.0167944 0.0167945 0.0167944), wk = 0.0034483 k( 4) = ( -0.0251917 0.0251917 0.0251917), wk = 0.0034483 k( 5) = ( -0.0335889 0.0335889 0.0335889), wk = 0.0034483 k( 6) = ( -0.0419861 0.0419861 0.0419861), wk = 0.0034483 k( 7) = ( -0.0503833 0.0503833 0.0503833), wk = 0.0034483 k( 8) = ( -0.0587806 0.0587806 0.0587806), wk = 0.0034483 k( 9) = ( -0.0671778 0.0671778 0.0671778), wk = 0.0034483 k( 10) = ( -0.0755750 0.0755750 0.0755750), wk = 0.0034483 k( 11) = ( -0.0839722 0.0839722 0.0839722), wk = 0.0034483 k( 12) = ( -0.0923695 0.0923695 0.0923695), wk = 0.0034483 k( 13) = ( -0.1007667 0.1007667 0.1007667), wk = 0.0034483 k( 14) = ( -0.1091639 0.1091639 0.1091639), wk = 0.0034483 k( 15) = ( -0.1175611 0.1175611 0.1175611), wk = 0.0034483 k( 16) = ( -0.1259583 0.1259583 0.1259583), wk = 0.0034483 k( 17) = ( -0.1343556 0.1343556 0.1343556), wk = 0.0034483 k( 18) = ( -0.1427528 0.1427528 0.1427528), wk = 0.0034483 k( 19) = ( -0.1511500 0.1511500 0.1511500), wk = 0.0034483 k( 20) = ( -0.1595472 0.1595472 0.1595472), wk = 0.0034483 k( 21) = ( -0.1679445 0.1679445 0.1679445), wk = 0.0034483 k( 22) = ( -0.1763417 0.1763417 0.1763417), wk = 0.0034483 k( 23) = ( -0.1847389 0.1847389 0.1847389), wk = 0.0034483 k( 24) = ( -0.1931361 0.1931361 0.1931361), wk = 0.0034483 k( 25) = ( -0.2015333 0.2015333 0.2015333), wk = 0.0034483 k( 26) = ( -0.2099306 0.2099306 0.2099306), wk = 0.0034483 k( 27) = ( -0.2183278 0.2183278 0.2183278), wk = 0.0034483 k( 28) = ( -0.2267250 0.2267250 0.2267250), wk = 0.0034483 k( 29) = ( -0.2351222 0.2351222 0.2351222), wk = 0.0034483 k( 30) = ( -0.2435195 0.2435195 0.2435195), wk = 0.0034483 k( 31) = ( -0.2519167 0.2519167 0.2519167), wk = 0.0034483 k( 32) = ( -0.2603139 0.2603139 0.2603139), wk = 0.0034483 k( 33) = ( -0.2687111 0.2687111 0.2687111), wk = 0.0034483 k( 34) = ( -0.2771084 0.2771084 0.2771084), wk = 0.0034483 k( 35) = ( -0.2855056 0.2855056 0.2855056), wk = 0.0034483 k( 36) = ( -0.2939028 0.2939028 0.2939028), wk = 0.0034483 k( 37) = ( -0.3023000 0.3023000 0.3023000), wk = 0.0034483 k( 38) = ( -0.3023000 0.3023000 0.3023000), wk = 0.0034483 k( 39) = ( -0.2915996 0.2915997 0.3130004), wk = 0.0034483 k( 40) = ( -0.2808993 0.2808993 0.3237008), wk = 0.0034483 k( 41) = ( -0.2701989 0.2701989 0.3344011), wk = 0.0034483 k( 42) = ( -0.2594985 0.2594985 0.3451015), wk = 0.0034483 k( 43) = ( -0.2487981 0.2487982 0.3558019), wk = 0.0034483 k( 44) = ( -0.2380978 0.2380978 0.3665023), wk = 0.0034483 k( 45) = ( -0.2273974 0.2273974 0.3772026), wk = 0.0034483 k( 46) = ( -0.2166970 0.2166970 0.3879030), wk = 0.0034483 k( 47) = ( -0.2059967 0.2059966 0.3986034), wk = 0.0034483 k( 48) = ( -0.1952963 0.1952963 0.4093038), wk = 0.0034483 k( 49) = ( -0.1845959 0.1845959 0.4200041), wk = 0.0034483 k( 50) = ( -0.1738955 0.1738955 0.4307045), wk = 0.0034483 k( 51) = ( -0.1631952 0.1631952 0.4414049), wk = 0.0034483 k( 52) = ( -0.1524948 0.1524948 0.4521053), wk = 0.0034483 k( 53) = ( -0.1417944 0.1417944 0.4628056), wk = 0.0034483 k( 54) = ( -0.1417944 0.1417944 0.4628056), wk = 0.0034483 k( 55) = ( -0.1276150 0.1276150 0.4665251), wk = 0.0034483 k( 56) = ( -0.1134355 0.1134355 0.4702445), wk = 0.0034483 k( 57) = ( -0.0992561 0.0992561 0.4739640), wk = 0.0034483 k( 58) = ( -0.0850766 0.0850766 0.4776834), wk = 0.0034483 k( 59) = ( -0.0708972 0.0708972 0.4814028), wk = 0.0034483 k( 60) = ( -0.0567178 0.0567178 0.4851223), wk = 0.0034483 k( 61) = ( -0.0425383 0.0425383 0.4888417), wk = 0.0034483 k( 62) = ( -0.0283589 0.0283589 0.4925611), wk = 0.0034483 k( 63) = ( -0.0141794 0.0141794 0.4962806), wk = 0.0034483 k( 64) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 65) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 66) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0034483 k( 67) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0034483 k( 68) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0034483 k( 69) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0034483 k( 70) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0034483 k( 71) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0034483 k( 72) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034483 k( 73) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0034483 k( 74) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0034483 k( 75) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0034483 k( 76) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0034483 k( 77) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0034483 k( 78) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0034483 k( 79) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 80) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 81) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0034483 k( 82) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0034483 k( 83) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0034483 k( 84) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0034483 k( 85) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0034483 k( 86) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0034483 k( 87) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0034483 k( 88) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0034483 k( 89) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0034483 k( 90) = ( 0.1413043 0.3586957 0.1413043), wk = 0.0034483 k( 91) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0034483 k( 92) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0034483 k( 93) = ( 0.1086957 0.3913044 0.1086956), wk = 0.0034483 k( 94) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0034483 k( 95) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0034483 k( 96) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0034483 k( 97) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0034483 k( 98) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0034483 k( 99) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0034483 k( 100) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0034483 k( 101) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0034483 k( 102) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0034483 k( 103) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034483 k( 104) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034483 k( 105) = ( 0.0201533 0.5131800 -0.0201533), wk = 0.0034483 k( 106) = ( 0.0403067 0.5263600 -0.0403067), wk = 0.0034483 k( 107) = ( 0.0604600 0.5395400 -0.0604600), wk = 0.0034483 k( 108) = ( 0.0806133 0.5527200 -0.0806133), wk = 0.0034483 k( 109) = ( 0.1007667 0.5659000 -0.1007667), wk = 0.0034483 k( 110) = ( 0.1209200 0.5790800 -0.1209200), wk = 0.0034483 k( 111) = ( 0.1410733 0.5922600 -0.1410733), wk = 0.0034483 k( 112) = ( 0.1612267 0.6054400 -0.1612267), wk = 0.0034483 k( 113) = ( 0.1813800 0.6186200 -0.1813800), wk = 0.0034483 k( 114) = ( 0.2015333 0.6318000 -0.2015334), wk = 0.0034483 k( 115) = ( 0.2216867 0.6449800 -0.2216867), wk = 0.0034483 k( 116) = ( 0.2418400 0.6581600 -0.2418400), wk = 0.0034483 k( 117) = ( 0.2619934 0.6713400 -0.2619933), wk = 0.0034483 k( 118) = ( 0.2821467 0.6845200 -0.2821467), wk = 0.0034483 k( 119) = ( 0.3023000 0.6977000 -0.3023000), wk = 0.0034483 k( 120) = ( 0.3023000 0.6977000 -0.3023000), wk = 0.0034483 k( 121) = ( 0.3108957 0.6891043 -0.3108957), wk = 0.0034483 k( 122) = ( 0.3194913 0.6805087 -0.3194913), wk = 0.0034483 k( 123) = ( 0.3280870 0.6719130 -0.3280870), wk = 0.0034483 k( 124) = ( 0.3366826 0.6633174 -0.3366826), wk = 0.0034483 k( 125) = ( 0.3452783 0.6547217 -0.3452783), wk = 0.0034483 k( 126) = ( 0.3538739 0.6461261 -0.3538739), wk = 0.0034483 k( 127) = ( 0.3624696 0.6375304 -0.3624696), wk = 0.0034483 k( 128) = ( 0.3710652 0.6289348 -0.3710652), wk = 0.0034483 k( 129) = ( 0.3796609 0.6203391 -0.3796609), wk = 0.0034483 k( 130) = ( 0.3882565 0.6117435 -0.3882565), wk = 0.0034483 k( 131) = ( 0.3968522 0.6031478 -0.3968522), wk = 0.0034483 k( 132) = ( 0.4054478 0.5945522 -0.4054478), wk = 0.0034483 k( 133) = ( 0.4140435 0.5859565 -0.4140435), wk = 0.0034483 k( 134) = ( 0.4226391 0.5773609 -0.4226391), wk = 0.0034483 k( 135) = ( 0.4312348 0.5687652 -0.4312348), wk = 0.0034483 k( 136) = ( 0.4398304 0.5601696 -0.4398304), wk = 0.0034483 k( 137) = ( 0.4484261 0.5515739 -0.4484261), wk = 0.0034483 k( 138) = ( 0.4570217 0.5429783 -0.4570217), wk = 0.0034483 k( 139) = ( 0.4656174 0.5343826 -0.4656174), wk = 0.0034483 k( 140) = ( 0.4742131 0.5257869 -0.4742131), wk = 0.0034483 k( 141) = ( 0.4828087 0.5171913 -0.4828087), wk = 0.0034483 k( 142) = ( 0.4914043 0.5085956 -0.4914043), wk = 0.0034483 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 144) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 145) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0034483 k( 146) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0034483 k( 147) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0034483 k( 148) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0034483 k( 149) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0034483 k( 150) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0034483 k( 151) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0034483 k( 152) = ( 0.3518519 0.3518518 -0.3518519), wk = 0.0034483 k( 153) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0034483 k( 154) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0034483 k( 155) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0034483 k( 156) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0034483 k( 157) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0034483 k( 158) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0034483 k( 159) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0034483 k( 160) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0034483 k( 161) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0034483 k( 162) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0034483 k( 163) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0034483 k( 164) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0034483 k( 165) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0034483 k( 166) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0034483 k( 167) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0034483 k( 168) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0034483 k( 169) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0034483 k( 170) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0034483 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 173) = ( 0.0109514 -0.0109514 0.0109514), wk = 0.0034483 k( 174) = ( 0.0219029 -0.0219029 0.0219029), wk = 0.0034483 k( 175) = ( 0.0328543 -0.0328543 0.0328543), wk = 0.0034483 k( 176) = ( 0.0438057 -0.0438057 0.0438057), wk = 0.0034483 k( 177) = ( 0.0547572 -0.0547572 0.0547572), wk = 0.0034483 k( 178) = ( 0.0657086 -0.0657086 0.0657086), wk = 0.0034483 k( 179) = ( 0.0766600 -0.0766600 0.0766600), wk = 0.0034483 k( 180) = ( 0.0876114 -0.0876114 0.0876115), wk = 0.0034483 k( 181) = ( 0.0985629 -0.0985629 0.0985629), wk = 0.0034483 k( 182) = ( 0.1095143 -0.1095143 0.1095143), wk = 0.0034483 k( 183) = ( 0.1204657 -0.1204657 0.1204658), wk = 0.0034483 k( 184) = ( 0.1314172 -0.1314172 0.1314172), wk = 0.0034483 k( 185) = ( 0.1423686 -0.1423686 0.1423686), wk = 0.0034483 k( 186) = ( 0.1533200 -0.1533200 0.1533200), wk = 0.0034483 k( 187) = ( 0.1642715 -0.1642715 0.1642715), wk = 0.0034483 k( 188) = ( 0.1752229 -0.1752229 0.1752229), wk = 0.0034483 k( 189) = ( 0.1861743 -0.1861743 0.1861743), wk = 0.0034483 k( 190) = ( 0.1971258 -0.1971258 0.1971258), wk = 0.0034483 k( 191) = ( 0.2080772 -0.2080772 0.2080772), wk = 0.0034483 k( 192) = ( 0.2190286 -0.2190286 0.2190286), wk = 0.0034483 k( 193) = ( 0.2299801 -0.2299801 0.2299801), wk = 0.0034483 k( 194) = ( 0.2409315 -0.2409315 0.2409315), wk = 0.0034483 k( 195) = ( 0.2518829 -0.2518829 0.2518829), wk = 0.0034483 k( 196) = ( 0.2628344 -0.2628344 0.2628344), wk = 0.0034483 k( 197) = ( 0.2737858 -0.2737858 0.2737858), wk = 0.0034483 k( 198) = ( 0.2847372 -0.2847372 0.2847372), wk = 0.0034483 k( 199) = ( 0.2956887 -0.2956887 0.2956887), wk = 0.0034483 k( 200) = ( 0.3066401 -0.3066401 0.3066401), wk = 0.0034483 k( 201) = ( 0.3175915 -0.3175915 0.3175915), wk = 0.0034483 k( 202) = ( 0.3285430 -0.3285430 0.3285430), wk = 0.0034483 k( 203) = ( 0.3394944 -0.3394944 0.3394944), wk = 0.0034483 k( 204) = ( 0.3394944 -0.3394944 0.3394944), wk = 0.0034483 k( 205) = ( 0.3495260 -0.3182760 0.3182760), wk = 0.0034483 k( 206) = ( 0.3595576 -0.2970576 0.2970576), wk = 0.0034483 k( 207) = ( 0.3695892 -0.2758392 0.2758392), wk = 0.0034483 k( 208) = ( 0.3796208 -0.2546208 0.2546208), wk = 0.0034483 k( 209) = ( 0.3896524 -0.2334024 0.2334024), wk = 0.0034483 k( 210) = ( 0.3996840 -0.2121840 0.2121840), wk = 0.0034483 k( 211) = ( 0.4097156 -0.1909656 0.1909656), wk = 0.0034483 k( 212) = ( 0.4197472 -0.1697472 0.1697472), wk = 0.0034483 k( 213) = ( 0.4297788 -0.1485288 0.1485288), wk = 0.0034483 k( 214) = ( 0.4398104 -0.1273104 0.1273104), wk = 0.0034483 k( 215) = ( 0.4498420 -0.1060920 0.1060920), wk = 0.0034483 k( 216) = ( 0.4598736 -0.0848736 0.0848736), wk = 0.0034483 k( 217) = ( 0.4699052 -0.0636552 0.0636552), wk = 0.0034483 k( 218) = ( 0.4799368 -0.0424368 0.0424368), wk = 0.0034483 k( 219) = ( 0.4899684 -0.0212184 0.0212184), wk = 0.0034483 k( 220) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034483 k( 221) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034483 k( 222) = ( 0.4913793 0.0086207 0.0086207), wk = 0.0034483 k( 223) = ( 0.4827586 0.0172414 0.0172414), wk = 0.0034483 k( 224) = ( 0.4741379 0.0258621 0.0258621), wk = 0.0034483 k( 225) = ( 0.4655172 0.0344828 0.0344828), wk = 0.0034483 k( 226) = ( 0.4568966 0.0431034 0.0431035), wk = 0.0034483 k( 227) = ( 0.4482759 0.0517241 0.0517241), wk = 0.0034483 k( 228) = ( 0.4396552 0.0603448 0.0603448), wk = 0.0034483 k( 229) = ( 0.4310345 0.0689655 0.0689655), wk = 0.0034483 k( 230) = ( 0.4224138 0.0775862 0.0775862), wk = 0.0034483 k( 231) = ( 0.4137931 0.0862069 0.0862069), wk = 0.0034483 k( 232) = ( 0.4051724 0.0948276 0.0948276), wk = 0.0034483 k( 233) = ( 0.3965517 0.1034483 0.1034483), wk = 0.0034483 k( 234) = ( 0.3879310 0.1120690 0.1120690), wk = 0.0034483 k( 235) = ( 0.3793103 0.1206897 0.1206897), wk = 0.0034483 k( 236) = ( 0.3706897 0.1293103 0.1293103), wk = 0.0034483 k( 237) = ( 0.3620690 0.1379310 0.1379310), wk = 0.0034483 k( 238) = ( 0.3534483 0.1465517 0.1465517), wk = 0.0034483 k( 239) = ( 0.3448276 0.1551724 0.1551724), wk = 0.0034483 k( 240) = ( 0.3362069 0.1637931 0.1637931), wk = 0.0034483 k( 241) = ( 0.3275862 0.1724138 0.1724138), wk = 0.0034483 k( 242) = ( 0.3189655 0.1810345 0.1810345), wk = 0.0034483 k( 243) = ( 0.3103448 0.1896552 0.1896552), wk = 0.0034483 k( 244) = ( 0.3017241 0.1982759 0.1982759), wk = 0.0034483 k( 245) = ( 0.2931034 0.2068965 0.2068966), wk = 0.0034483 k( 246) = ( 0.2844828 0.2155172 0.2155172), wk = 0.0034483 k( 247) = ( 0.2758621 0.2241379 0.2241379), wk = 0.0034483 k( 248) = ( 0.2672414 0.2327586 0.2327586), wk = 0.0034483 k( 249) = ( 0.2586207 0.2413793 0.2413793), wk = 0.0034483 k( 250) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 251) = ( 0.1417944 -0.1417944 0.5371944), wk = 0.0034483 k( 252) = ( 0.1503901 -0.1503901 0.5285987), wk = 0.0034483 k( 253) = ( 0.1589857 -0.1589857 0.5200031), wk = 0.0034483 k( 254) = ( 0.1675814 -0.1675814 0.5114074), wk = 0.0034483 k( 255) = ( 0.1761770 -0.1761770 0.5028118), wk = 0.0034483 k( 256) = ( 0.1847727 -0.1847727 0.4942161), wk = 0.0034483 k( 257) = ( 0.1933683 -0.1933683 0.4856204), wk = 0.0034483 k( 258) = ( 0.2019640 -0.2019640 0.4770248), wk = 0.0034483 k( 259) = ( 0.2105596 -0.2105596 0.4684292), wk = 0.0034483 k( 260) = ( 0.2191553 -0.2191553 0.4598335), wk = 0.0034483 k( 261) = ( 0.2277509 -0.2277509 0.4512378), wk = 0.0034483 k( 262) = ( 0.2363466 -0.2363466 0.4426422), wk = 0.0034483 k( 263) = ( 0.2449422 -0.2449422 0.4340466), wk = 0.0034483 k( 264) = ( 0.2535379 -0.2535379 0.4254509), wk = 0.0034483 k( 265) = ( 0.2621335 -0.2621335 0.4168552), wk = 0.0034483 k( 266) = ( 0.2707292 -0.2707292 0.4082596), wk = 0.0034483 k( 267) = ( 0.2793248 -0.2793248 0.3996639), wk = 0.0034483 k( 268) = ( 0.2879205 -0.2879205 0.3910683), wk = 0.0034483 k( 269) = ( 0.2965161 -0.2965161 0.3824726), wk = 0.0034483 k( 270) = ( 0.3051118 -0.3051118 0.3738770), wk = 0.0034483 k( 271) = ( 0.3137074 -0.3137074 0.3652813), wk = 0.0034483 k( 272) = ( 0.3223031 -0.3223031 0.3566857), wk = 0.0034483 k( 273) = ( 0.3308987 -0.3308987 0.3480900), wk = 0.0034483 k( 274) = ( 0.3394944 -0.3394944 0.3394944), wk = 0.0034483 k( 275) = ( 0.6605056 0.3394944 -0.3394944), wk = 0.0034483 k( 276) = ( 0.6498052 0.3501948 -0.3501948), wk = 0.0034483 k( 277) = ( 0.6391049 0.3608951 -0.3608951), wk = 0.0034483 k( 278) = ( 0.6284045 0.3715955 -0.3715955), wk = 0.0034483 k( 279) = ( 0.6177041 0.3822959 -0.3822959), wk = 0.0034483 k( 280) = ( 0.6070037 0.3929963 -0.3929963), wk = 0.0034483 k( 281) = ( 0.5963034 0.4036966 -0.4036966), wk = 0.0034483 k( 282) = ( 0.5856030 0.4143970 -0.4143970), wk = 0.0034483 k( 283) = ( 0.5749026 0.4250974 -0.4250974), wk = 0.0034483 k( 284) = ( 0.5642023 0.4357977 -0.4357977), wk = 0.0034483 k( 285) = ( 0.5535019 0.4464981 -0.4464981), wk = 0.0034483 k( 286) = ( 0.5428015 0.4571985 -0.4571985), wk = 0.0034483 k( 287) = ( 0.5321011 0.4678989 -0.4678989), wk = 0.0034483 k( 288) = ( 0.5214007 0.4785993 -0.4785992), wk = 0.0034483 k( 289) = ( 0.5107004 0.4892996 -0.4892996), wk = 0.0034483 k( 290) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 Dense grid: 148549 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.57 Mb ( 536, 70) NL pseudopotentials 1.34 Mb ( 268, 328) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2062) G-vector shells 0.02 Mb ( 1973) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.29 Mb ( 536, 280) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.70 Mb ( 328, 2, 70) The potential is recalculated from file : ./CsFeS2.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 7.8 secs Computing kpt #: 3 total cpu time spent up to now is 10.3 secs Computing kpt #: 4 total cpu time spent up to now is 12.8 secs Computing kpt #: 5 total cpu time spent up to now is 15.2 secs Computing kpt #: 6 total cpu time spent up to now is 17.7 secs Computing kpt #: 7 total cpu time spent up to now is 20.1 secs Computing kpt #: 8 total cpu time spent up to now is 22.6 secs Computing kpt #: 9 total cpu time spent up to now is 25.0 secs Computing kpt #: 10 total cpu time spent up to now is 27.5 secs Computing kpt #: 11 total cpu time spent up to now is 30.0 secs Computing kpt #: 12 total cpu time spent up to now is 32.5 secs Computing kpt #: 13 total cpu time spent up to now is 35.8 secs Computing kpt #: 14 total cpu time spent up to now is 38.9 secs Computing kpt #: 15 total cpu time spent up to now is 42.0 secs Computing kpt #: 16 total cpu time spent up to now is 45.2 secs Computing kpt #: 17 total cpu time spent up to now is 48.3 secs Computing kpt #: 18 total cpu time spent up to now is 51.4 secs Computing kpt #: 19 total cpu time spent up to now is 54.4 secs Computing kpt #: 20 total cpu time spent up to now is 57.4 secs Computing kpt #: 21 total cpu time spent up to now is 60.4 secs Computing kpt #: 22 total cpu time spent up to now is 63.4 secs Computing kpt #: 23 total cpu time spent up to now is 66.9 secs Computing kpt #: 24 total cpu time spent up to now is 69.8 secs Computing kpt #: 25 total cpu time spent up to now is 72.7 secs Computing kpt #: 26 total cpu time spent up to now is 75.7 secs Computing kpt #: 27 total cpu time spent up to now is 78.8 secs Computing kpt #: 28 total cpu time spent up to now is 81.9 secs Computing kpt #: 29 total cpu time spent up to now is 84.8 secs Computing kpt #: 30 total cpu time spent up to now is 87.4 secs Computing kpt #: 31 total cpu time spent up to now is 90.1 secs Computing kpt #: 32 total cpu time spent up to now is 93.0 secs Computing kpt #: 33 total cpu time spent up to now is 96.0 secs Computing kpt #: 34 total cpu time spent up to now is 99.0 secs Computing kpt #: 35 total cpu time spent up to now is 102.3 secs Computing kpt #: 36 total cpu time spent up to now is 105.5 secs Computing kpt #: 37 total cpu time spent up to now is 109.3 secs Computing kpt #: 38 total cpu time spent up to now is 113.1 secs Computing kpt #: 39 total cpu time spent up to now is 116.9 secs Computing kpt #: 40 total cpu time spent up to now is 156.6 secs Computing kpt #: 41 total cpu time spent up to now is 160.3 secs Computing kpt #: 42 total cpu time spent up to now is 163.5 secs Computing kpt #: 43 total cpu time spent up to now is 166.7 secs Computing kpt #: 44 total cpu time spent up to now is 169.9 secs Computing kpt #: 45 total cpu time spent up to now is 173.8 secs Computing kpt #: 46 total cpu time spent up to now is 177.0 secs Computing kpt #: 47 total cpu time spent up to now is 180.3 secs Computing kpt #: 48 total cpu time spent up to now is 183.6 secs Computing kpt #: 49 total cpu time spent up to now is 187.2 secs Computing kpt #: 50 total cpu time spent up to now is 190.9 secs Computing kpt #: 51 total cpu time spent up to now is 194.2 secs Computing kpt #: 52 total cpu time spent up to now is 197.8 secs Computing kpt #: 53 total cpu time spent up to now is 201.0 secs Computing kpt #: 54 total cpu time spent up to now is 204.3 secs Computing kpt #: 55 total cpu time spent up to now is 207.5 secs Computing kpt #: 56 total cpu time spent up to now is 210.7 secs Computing kpt #: 57 total cpu time spent up to now is 213.7 secs Computing kpt #: 58 total cpu time spent up to now is 216.8 secs Computing kpt #: 59 total cpu time spent up to now is 219.9 secs Computing kpt #: 60 total cpu time spent up to now is 222.8 secs Computing kpt #: 61 total cpu time spent up to now is 225.8 secs Computing kpt #: 62 total cpu time spent up to now is 228.9 secs Computing kpt #: 63 total cpu time spent up to now is 232.3 secs Computing kpt #: 64 total cpu time spent up to now is 235.3 secs Computing kpt #: 65 total cpu time spent up to now is 238.3 secs Computing kpt #: 66 total cpu time spent up to now is 241.2 secs Computing kpt #: 67 total cpu time spent up to now is 244.1 secs Computing kpt #: 68 total cpu time spent up to now is 247.0 secs Computing kpt #: 69 total cpu time spent up to now is 249.9 secs Computing kpt #: 70 total cpu time spent up to now is 253.5 secs Computing kpt #: 71 total cpu time spent up to now is 256.4 secs Computing kpt #: 72 total cpu time spent up to now is 259.3 secs Computing kpt #: 73 total cpu time spent up to now is 263.0 secs Computing kpt #: 74 total cpu time spent up to now is 266.7 secs Computing kpt #: 75 total cpu time spent up to now is 270.4 secs Computing kpt #: 76 total cpu time spent up to now is 274.3 secs Computing kpt #: 77 total cpu time spent up to now is 278.8 secs Computing kpt #: 78 total cpu time spent up to now is 283.4 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.1 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.8 secs Computing kpt #: 81 total cpu time spent up to now is 303.0 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 309.7 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.2 secs Computing kpt #: 84 total cpu time spent up to now is 320.8 secs Computing kpt #: 85 total cpu time spent up to now is 325.4 secs Computing kpt #: 86 total cpu time spent up to now is 329.9 secs Computing kpt #: 87 total cpu time spent up to now is 334.5 secs Computing kpt #: 88 total cpu time spent up to now is 338.2 secs Computing kpt #: 89 total cpu time spent up to now is 342.1 secs Computing kpt #: 90 total cpu time spent up to now is 345.8 secs Computing kpt #: 91 total cpu time spent up to now is 349.5 secs Computing kpt #: 92 total cpu time spent up to now is 352.8 secs Computing kpt #: 93 total cpu time spent up to now is 356.1 secs Computing kpt #: 94 total cpu time spent up to now is 359.4 secs Computing kpt #: 95 total cpu time spent up to now is 362.6 secs Computing kpt #: 96 total cpu time spent up to now is 365.9 secs Computing kpt #: 97 total cpu time spent up to now is 369.0 secs Computing kpt #: 98 total cpu time spent up to now is 372.2 secs Computing kpt #: 99 total cpu time spent up to now is 375.4 secs Computing kpt #: 100 total cpu time spent up to now is 378.9 secs Computing kpt #: 101 total cpu time spent up to now is 382.1 secs Computing kpt #: 102 total cpu time spent up to now is 385.3 secs Computing kpt #: 103 total cpu time spent up to now is 388.5 secs Computing kpt #: 104 total cpu time spent up to now is 391.7 secs Computing kpt #: 105 total cpu time spent up to now is 394.9 secs Computing kpt #: 106 total cpu time spent up to now is 398.1 secs Computing kpt #: 107 total cpu time spent up to now is 401.3 secs Computing kpt #: 108 total cpu time spent up to now is 404.4 secs Computing kpt #: 109 total cpu time spent up to now is 407.6 secs Computing kpt #: 110 total cpu time spent up to now is 410.8 secs Computing kpt #: 111 total cpu time spent up to now is 414.0 secs Computing kpt #: 112 total cpu time spent up to now is 417.2 secs Computing kpt #: 113 total cpu time spent up to now is 420.5 secs Computing kpt #: 114 total cpu time spent up to now is 423.6 secs Computing kpt #: 115 total cpu time spent up to now is 426.8 secs Computing kpt #: 116 total cpu time spent up to now is 430.2 secs Computing kpt #: 117 total cpu time spent up to now is 433.5 secs Computing kpt #: 118 total cpu time spent up to now is 437.3 secs Computing kpt #: 119 total cpu time spent up to now is 441.9 secs Computing kpt #: 120 total cpu time spent up to now is 445.8 secs Computing kpt #: 121 total cpu time spent up to now is 451.5 secs Computing kpt #: 122 total cpu time spent up to now is 457.1 secs Computing kpt #: 123 total cpu time spent up to now is 461.7 secs Computing kpt #: 124 total cpu time spent up to now is 466.2 secs Computing kpt #: 125 total cpu time spent up to now is 471.1 secs Computing kpt #: 126 total cpu time spent up to now is 475.5 secs Computing kpt #: 127 total cpu time spent up to now is 479.9 secs Computing kpt #: 128 total cpu time spent up to now is 483.9 secs Computing kpt #: 129 total cpu time spent up to now is 487.8 secs Computing kpt #: 130 total cpu time spent up to now is 491.6 secs Computing kpt #: 131 total cpu time spent up to now is 494.8 secs Computing kpt #: 132 total cpu time spent up to now is 498.5 secs Computing kpt #: 133 total cpu time spent up to now is 502.4 secs Computing kpt #: 134 total cpu time spent up to now is 506.3 secs Computing kpt #: 135 total cpu time spent up to now is 510.3 secs Computing kpt #: 136 total cpu time spent up to now is 514.2 secs Computing kpt #: 137 total cpu time spent up to now is 518.1 secs Computing kpt #: 138 total cpu time spent up to now is 522.0 secs Computing kpt #: 139 total cpu time spent up to now is 525.9 secs Computing kpt #: 140 total cpu time spent up to now is 530.0 secs Computing kpt #: 141 total cpu time spent up to now is 534.1 secs Computing kpt #: 142 total cpu time spent up to now is 538.0 secs Computing kpt #: 143 total cpu time spent up to now is 541.9 secs Computing kpt #: 144 total cpu time spent up to now is 545.8 secs Computing kpt #: 145 total cpu time spent up to now is 549.6 secs Computing kpt #: 146 total cpu time spent up to now is 554.1 secs Computing kpt #: 147 total cpu time spent up to now is 557.8 secs Computing kpt #: 148 total cpu time spent up to now is 561.6 secs Computing kpt #: 149 total cpu time spent up to now is 565.5 secs Computing kpt #: 150 total cpu time spent up to now is 571.5 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 578.1 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 584.6 secs Computing kpt #: 153 total cpu time spent up to now is 589.2 secs Computing kpt #: 154 total cpu time spent up to now is 593.7 secs Computing kpt #: 155 total cpu time spent up to now is 597.8 secs Computing kpt #: 156 total cpu time spent up to now is 603.0 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 609.4 secs Computing kpt #: 158 total cpu time spent up to now is 612.9 secs Computing kpt #: 159 total cpu time spent up to now is 615.7 secs Computing kpt #: 160 total cpu time spent up to now is 618.6 secs Computing kpt #: 161 total cpu time spent up to now is 621.5 secs Computing kpt #: 162 total cpu time spent up to now is 624.4 secs Computing kpt #: 163 total cpu time spent up to now is 626.9 secs Computing kpt #: 164 total cpu time spent up to now is 629.5 secs Computing kpt #: 165 total cpu time spent up to now is 632.0 secs Computing kpt #: 166 total cpu time spent up to now is 634.6 secs Computing kpt #: 167 total cpu time spent up to now is 637.1 secs Computing kpt #: 168 total cpu time spent up to now is 639.6 secs Computing kpt #: 169 total cpu time spent up to now is 642.1 secs Computing kpt #: 170 total cpu time spent up to now is 644.5 secs Computing kpt #: 171 total cpu time spent up to now is 647.0 secs Computing kpt #: 172 total cpu time spent up to now is 649.4 secs Computing kpt #: 173 total cpu time spent up to now is 652.0 secs Computing kpt #: 174 total cpu time spent up to now is 654.4 secs Computing kpt #: 175 total cpu time spent up to now is 656.9 secs Computing kpt #: 176 total cpu time spent up to now is 659.4 secs Computing kpt #: 177 total cpu time spent up to now is 661.9 secs Computing kpt #: 178 total cpu time spent up to now is 664.3 secs Computing kpt #: 179 total cpu time spent up to now is 666.8 secs Computing kpt #: 180 total cpu time spent up to now is 669.2 secs Computing kpt #: 181 total cpu time spent up to now is 671.7 secs Computing kpt #: 182 total cpu time spent up to now is 674.2 secs Computing kpt #: 183 total cpu time spent up to now is 676.9 secs Computing kpt #: 184 total cpu time spent up to now is 679.8 secs Computing kpt #: 185 total cpu time spent up to now is 682.8 secs Computing kpt #: 186 total cpu time spent up to now is 685.8 secs Computing kpt #: 187 total cpu time spent up to now is 688.8 secs Computing kpt #: 188 total cpu time spent up to now is 691.9 secs Computing kpt #: 189 total cpu time spent up to now is 695.0 secs Computing kpt #: 190 total cpu time spent up to now is 698.1 secs Computing kpt #: 191 total cpu time spent up to now is 701.2 secs Computing kpt #: 192 total cpu time spent up to now is 704.2 secs Computing kpt #: 193 total cpu time spent up to now is 707.3 secs Computing kpt #: 194 total cpu time spent up to now is 710.2 secs Computing kpt #: 195 total cpu time spent up to now is 713.2 secs Computing kpt #: 196 total cpu time spent up to now is 716.2 secs Computing kpt #: 197 total cpu time spent up to now is 719.1 secs Computing kpt #: 198 total cpu time spent up to now is 721.7 secs Computing kpt #: 199 total cpu time spent up to now is 724.6 secs Computing kpt #: 200 total cpu time spent up to now is 727.3 secs Computing kpt #: 201 total cpu time spent up to now is 730.2 secs Computing kpt #: 202 total cpu time spent up to now is 732.8 secs Computing kpt #: 203 total cpu time spent up to now is 735.8 secs Computing kpt #: 204 total cpu time spent up to now is 738.7 secs Computing kpt #: 205 total cpu time spent up to now is 741.3 secs Computing kpt #: 206 total cpu time spent up to now is 743.9 secs Computing kpt #: 207 total cpu time spent up to now is 746.5 secs Computing kpt #: 208 total cpu time spent up to now is 749.4 secs Computing kpt #: 209 total cpu time spent up to now is 751.9 secs Computing kpt #: 210 total cpu time spent up to now is 754.8 secs Computing kpt #: 211 total cpu time spent up to now is 757.7 secs Computing kpt #: 212 total cpu time spent up to now is 760.7 secs Computing kpt #: 213 total cpu time spent up to now is 763.6 secs Computing kpt #: 214 total cpu time spent up to now is 766.6 secs Computing kpt #: 215 total cpu time spent up to now is 769.6 secs Computing kpt #: 216 total cpu time spent up to now is 772.8 secs Computing kpt #: 217 total cpu time spent up to now is 775.9 secs Computing kpt #: 218 total cpu time spent up to now is 779.0 secs Computing kpt #: 219 total cpu time spent up to now is 782.0 secs Computing kpt #: 220 total cpu time spent up to now is 785.1 secs Computing kpt #: 221 total cpu time spent up to now is 788.0 secs Computing kpt #: 222 total cpu time spent up to now is 791.1 secs Computing kpt #: 223 total cpu time spent up to now is 794.1 secs Computing kpt #: 224 total cpu time spent up to now is 797.2 secs Computing kpt #: 225 total cpu time spent up to now is 800.2 secs Computing kpt #: 226 total cpu time spent up to now is 803.2 secs Computing kpt #: 227 total cpu time spent up to now is 806.7 secs Computing kpt #: 228 total cpu time spent up to now is 809.7 secs Computing kpt #: 229 total cpu time spent up to now is 812.9 secs Computing kpt #: 230 total cpu time spent up to now is 815.9 secs Computing kpt #: 231 total cpu time spent up to now is 819.0 secs Computing kpt #: 232 total cpu time spent up to now is 822.2 secs Computing kpt #: 233 total cpu time spent up to now is 825.4 secs Computing kpt #: 234 total cpu time spent up to now is 828.5 secs Computing kpt #: 235 total cpu time spent up to now is 831.8 secs Computing kpt #: 236 total cpu time spent up to now is 834.8 secs Computing kpt #: 237 total cpu time spent up to now is 837.8 secs Computing kpt #: 238 total cpu time spent up to now is 840.9 secs Computing kpt #: 239 total cpu time spent up to now is 844.0 secs Computing kpt #: 240 total cpu time spent up to now is 847.0 secs Computing kpt #: 241 total cpu time spent up to now is 850.1 secs Computing kpt #: 242 total cpu time spent up to now is 853.5 secs Computing kpt #: 243 total cpu time spent up to now is 857.0 secs Computing kpt #: 244 total cpu time spent up to now is 860.5 secs Computing kpt #: 245 total cpu time spent up to now is 864.4 secs Computing kpt #: 246 total cpu time spent up to now is 868.9 secs Computing kpt #: 247 total cpu time spent up to now is 875.1 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 881.8 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 888.6 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 895.4 secs Computing kpt #: 251 total cpu time spent up to now is 898.8 secs Computing kpt #: 252 total cpu time spent up to now is 902.2 secs Computing kpt #: 253 total cpu time spent up to now is 905.8 secs Computing kpt #: 254 total cpu time spent up to now is 909.6 secs Computing kpt #: 255 total cpu time spent up to now is 913.3 secs Computing kpt #: 256 total cpu time spent up to now is 917.0 secs Computing kpt #: 257 total cpu time spent up to now is 920.8 secs Computing kpt #: 258 total cpu time spent up to now is 924.7 secs Computing kpt #: 259 total cpu time spent up to now is 928.8 secs Computing kpt #: 260 total cpu time spent up to now is 932.7 secs Computing kpt #: 261 total cpu time spent up to now is 936.5 secs Computing kpt #: 262 total cpu time spent up to now is 940.2 secs Computing kpt #: 263 total cpu time spent up to now is 943.8 secs Computing kpt #: 264 total cpu time spent up to now is 947.1 secs Computing kpt #: 265 total cpu time spent up to now is 950.3 secs Computing kpt #: 266 total cpu time spent up to now is 953.5 secs Computing kpt #: 267 total cpu time spent up to now is 956.6 secs Computing kpt #: 268 total cpu time spent up to now is 959.6 secs Computing kpt #: 269 total cpu time spent up to now is 962.6 secs Computing kpt #: 270 total cpu time spent up to now is 965.7 secs Computing kpt #: 271 total cpu time spent up to now is 968.6 secs Computing kpt #: 272 total cpu time spent up to now is 971.5 secs Computing kpt #: 273 total cpu time spent up to now is 974.5 secs Computing kpt #: 274 total cpu time spent up to now is 977.5 secs Computing kpt #: 275 total cpu time spent up to now is 980.5 secs Computing kpt #: 276 total cpu time spent up to now is 983.4 secs Computing kpt #: 277 total cpu time spent up to now is 986.5 secs Computing kpt #: 278 total cpu time spent up to now is 989.6 secs Computing kpt #: 279 total cpu time spent up to now is 992.6 secs Computing kpt #: 280 total cpu time spent up to now is 995.5 secs Computing kpt #: 281 total cpu time spent up to now is 998.6 secs Computing kpt #: 282 total cpu time spent up to now is 1001.7 secs Computing kpt #: 283 total cpu time spent up to now is 1004.9 secs Computing kpt #: 284 total cpu time spent up to now is 1008.2 secs Computing kpt #: 285 total cpu time spent up to now is 1011.9 secs Computing kpt #: 286 total cpu time spent up to now is 1015.6 secs Computing kpt #: 287 total cpu time spent up to now is 1019.2 secs Computing kpt #: 288 total cpu time spent up to now is 1023.0 secs Computing kpt #: 289 total cpu time spent up to now is 1026.9 secs Computing kpt #: 290 total cpu time spent up to now is 1031.4 secs ethr = 1.72E-08, avg # of iterations = 37.7 total cpu time spent up to now is 1031.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 18535 PWs) bands (ev): -14.7871 -14.7871 -14.6915 -14.6915 -7.6030 -7.6030 -6.9473 -6.9473 -6.8013 -6.8013 -6.6781 -6.6781 -3.6865 -3.6865 -3.4312 -3.4312 -2.4146 -2.4146 -2.2158 -2.2158 -2.0592 -2.0592 -1.9028 -1.9028 0.3969 0.3969 1.1105 1.1105 1.8029 1.8029 2.0195 2.0195 2.0619 2.0619 2.2931 2.2931 2.3109 2.3109 2.4502 2.4502 2.6304 2.6304 2.6986 2.6986 3.2097 3.2097 3.8337 3.8337 4.3551 4.3551 4.4232 4.4232 4.4742 4.4742 5.1716 5.1716 5.2259 5.2259 5.7300 5.7300 5.8253 5.8253 6.4994 6.4994 6.6509 6.6509 6.7466 6.7466 8.6587 8.6587 k =-0.0084 0.0112 0.0183 ( 18529 PWs) bands (ev): -14.7871 -14.7871 -14.6915 -14.6915 -7.6026 -7.6026 -6.9473 -6.9473 -6.8018 -6.8018 -6.6780 -6.6780 -3.6865 -3.6865 -3.4314 -3.4314 -2.4147 -2.4147 -2.2159 -2.2159 -2.0597 -2.0597 -1.9029 -1.9029 0.3985 0.3985 1.1117 1.1117 1.8034 1.8034 2.0182 2.0182 2.0625 2.0625 2.2936 2.2936 2.3094 2.3094 2.4501 2.4501 2.6301 2.6301 2.6988 2.6988 3.2089 3.2089 3.8344 3.8344 4.3264 4.3264 4.4510 4.4510 4.4740 4.4740 5.1725 5.1725 5.2258 5.2258 5.7295 5.7295 5.8259 5.8259 6.4995 6.4995 6.6488 6.6488 6.7464 6.7464 8.6635 8.6635 k =-0.0168 0.0223 0.0365 ( 18513 PWs) bands (ev): -14.7869 -14.7869 -14.6915 -14.6915 -7.6015 -7.6015 -6.9474 -6.9474 -6.8033 -6.8033 -6.6778 -6.6778 -3.6868 -3.6868 -3.4321 -3.4321 -2.4150 -2.4150 -2.2164 -2.2164 -2.0609 -2.0609 -1.9032 -1.9032 0.4033 0.4033 1.1154 1.1154 1.8049 1.8049 2.0142 2.0142 2.0641 2.0641 2.2950 2.2950 2.3050 2.3050 2.4496 2.4496 2.6292 2.6292 2.6997 2.6997 3.2062 3.2062 3.8367 3.8367 4.2780 4.2780 4.4717 4.4717 4.4989 4.4989 5.1752 5.1752 5.2256 5.2256 5.7280 5.7280 5.8276 5.8276 6.4996 6.4996 6.6425 6.6425 6.7458 6.7458 8.6779 8.6779 k =-0.0252 0.0335 0.0548 ( 18515 PWs) bands (ev): -14.7867 -14.7867 -14.6916 -14.6916 -7.5996 -7.5996 -6.9475 -6.9475 -6.8058 -6.8058 -6.6776 -6.6776 -3.6871 -3.6871 -3.4331 -3.4331 -2.4156 -2.4156 -2.2172 -2.2172 -2.0630 -2.0630 -1.9038 -1.9038 0.4112 0.4112 1.1214 1.1214 1.8075 1.8075 2.0076 2.0076 2.0667 2.0667 2.2970 2.2970 2.2980 2.2980 2.4488 2.4488 2.6278 2.6278 2.7010 2.7010 3.2019 3.2019 3.8404 3.8404 4.2262 4.2262 4.4698 4.4698 4.5478 4.5478 5.1791 5.1791 5.2257 5.2257 5.7255 5.7255 5.8306 5.8306 6.4998 6.4998 6.6324 6.6324 6.7448 6.7448 8.7015 8.7015 k =-0.0336 0.0446 0.0730 ( 18509 PWs) bands (ev): -14.7864 -14.7864 -14.6917 -14.6917 -7.5969 -7.5969 -6.9477 -6.9477 -6.8092 -6.8092 -6.6773 -6.6773 -3.6877 -3.6877 -3.4346 -3.4346 -2.4164 -2.4164 -2.2183 -2.2183 -2.0658 -2.0658 -1.9045 -1.9045 0.4221 0.4221 1.1298 1.1298 1.8111 1.8111 1.9985 1.9985 2.0704 2.0704 2.2873 2.2873 2.3008 2.3008 2.4478 2.4478 2.6258 2.6258 2.7029 2.7029 3.1959 3.1959 3.8456 3.8456 4.1731 4.1731 4.4669 4.4669 4.5970 4.5970 5.1834 5.1834 5.2270 5.2270 5.7220 5.7220 5.8347 5.8347 6.4999 6.4999 6.6187 6.6187 6.7434 6.7434 8.7338 8.7338 k =-0.0420 0.0558 0.0913 ( 18509 PWs) bands (ev): -14.7860 -14.7860 -14.6918 -14.6918 -7.5934 -7.5934 -6.9479 -6.9479 -6.8136 -6.8136 -6.6768 -6.6768 -3.6883 -3.6883 -3.4365 -3.4365 -2.4174 -2.4174 -2.2195 -2.2195 -2.0694 -2.0694 -1.9056 -1.9056 0.4360 0.4360 1.1404 1.1404 1.8156 1.8156 1.9868 1.9868 2.0751 2.0751 2.2744 2.2744 2.3051 2.3051 2.4464 2.4464 2.6234 2.6234 2.7051 2.7051 3.1883 3.1883 3.8522 3.8522 4.1194 4.1194 4.4633 4.4633 4.6459 4.6459 5.1869 5.1869 5.2310 5.2310 5.7177 5.7177 5.8399 5.8399 6.5001 6.5001 6.6019 6.6019 6.7417 6.7417 8.7741 8.7741 k =-0.0504 0.0669 0.1096 ( 18511 PWs) bands (ev): -14.7855 -14.7855 -14.6919 -14.6919 -7.5892 -7.5892 -6.9481 -6.9481 -6.8191 -6.8191 -6.6763 -6.6763 -3.6890 -3.6890 -3.4388 -3.4388 -2.4185 -2.4185 -2.2209 -2.2209 -2.0736 -2.0736 -1.9068 -1.9068 0.4526 0.4526 1.1530 1.1530 1.8211 1.8211 1.9728 1.9728 2.0809 2.0809 2.2588 2.2588 2.3104 2.3104 2.4447 2.4447 2.6204 2.6204 2.7077 2.7077 3.1791 3.1791 3.8600 3.8600 4.0653 4.0653 4.4590 4.4590 4.6943 4.6943 5.1885 5.1885 5.2386 5.2386 5.7124 5.7124 5.8463 5.8463 6.5003 6.5003 6.5827 6.5827 6.7396 6.7396 8.8217 8.8217 k =-0.0588 0.0781 0.1278 ( 18517 PWs) bands (ev): -14.7850 -14.7850 -14.6920 -14.6920 -7.5842 -7.5842 -6.9484 -6.9484 -6.8254 -6.8254 -6.6757 -6.6757 -3.6897 -3.6897 -3.4414 -3.4414 -2.4198 -2.4198 -2.2224 -2.2224 -2.0785 -2.0785 -1.9083 -1.9083 0.4719 0.4719 1.1675 1.1675 1.8275 1.8275 1.9566 1.9566 2.0875 2.0875 2.2407 2.2407 2.3167 2.3167 2.4427 2.4427 2.6170 2.6170 2.7105 2.7105 3.1684 3.1684 3.8692 3.8692 4.0110 4.0110 4.4540 4.4540 4.7419 4.7419 5.1882 5.1882 5.2498 5.2498 5.7063 5.7063 5.8538 5.8538 6.5003 6.5003 6.5616 6.5616 6.7372 6.7372 8.8757 8.8757 k =-0.0672 0.0892 0.1461 ( 18529 PWs) bands (ev): -14.7843 -14.7843 -14.6922 -14.6922 -7.5785 -7.5785 -6.9488 -6.9488 -6.8328 -6.8328 -6.6750 -6.6750 -3.6906 -3.6906 -3.4444 -3.4444 -2.4211 -2.4211 -2.2239 -2.2239 -2.0839 -2.0839 -1.9100 -1.9100 0.4937 0.4937 1.1836 1.1836 1.8348 1.8348 1.9383 1.9383 2.0951 2.0951 2.2205 2.2205 2.3239 2.3239 2.4403 2.4403 2.6133 2.6133 2.7134 2.7134 3.1565 3.1565 3.8795 3.8795 3.9564 3.9564 4.4485 4.4485 4.7886 4.7886 5.1868 5.1868 5.2640 5.2640 5.6993 5.6993 5.8625 5.8625 6.5002 6.5002 6.5393 6.5393 6.7345 6.7345 8.9352 8.9352 k =-0.0756 0.1004 0.1643 ( 18525 PWs) bands (ev): -14.7836 -14.7836 -14.6923 -14.6923 -7.5720 -7.5720 -6.9491 -6.9491 -6.8411 -6.8411 -6.6743 -6.6743 -3.6914 -3.6914 -3.4476 -3.4476 -2.4225 -2.4225 -2.2253 -2.2253 -2.0897 -2.0897 -1.9120 -1.9120 0.5176 0.5176 1.2010 1.2010 1.8428 1.8428 1.9183 1.9183 2.1033 2.1033 2.1984 2.1984 2.3321 2.3321 2.4376 2.4376 2.6091 2.6091 2.7164 2.7164 3.1432 3.1432 3.8909 3.8909 3.9018 3.9018 4.4425 4.4425 4.8346 4.8346 5.1851 5.1851 5.2802 5.2802 5.6916 5.6916 5.8724 5.8724 6.4991 6.4991 6.5170 6.5170 6.7315 6.7315 8.9994 8.9994 k =-0.0840 0.1115 0.1826 ( 18541 PWs) bands (ev): -14.7829 -14.7829 -14.6926 -14.6926 -7.5648 -7.5648 -6.9495 -6.9495 -6.8504 -6.8504 -6.6735 -6.6735 -3.6921 -3.6921 -3.4511 -3.4511 -2.4239 -2.4239 -2.2266 -2.2266 -2.0960 -2.0960 -1.9142 -1.9142 0.5436 0.5436 1.2196 1.2196 1.8517 1.8517 1.8968 1.8968 2.1116 2.1116 2.1752 2.1752 2.3412 2.3412 2.4346 2.4346 2.6047 2.6047 2.7193 2.7193 3.1288 3.1288 3.8471 3.8471 3.9034 3.9034 4.4361 4.4361 4.8796 4.8796 5.1838 5.1838 5.2980 5.2980 5.6830 5.6830 5.8835 5.8835 6.4890 6.4890 6.5035 6.5035 6.7282 6.7282 9.0671 9.0671 k =-0.0924 0.1227 0.2009 ( 18549 PWs) bands (ev): -14.7820 -14.7820 -14.6928 -14.6928 -7.5569 -7.5569 -6.9499 -6.9499 -6.8606 -6.8606 -6.6726 -6.6726 -3.6928 -3.6928 -3.4547 -3.4547 -2.4252 -2.4252 -2.2277 -2.2277 -2.1026 -2.1026 -1.9167 -1.9167 0.5712 0.5712 1.2388 1.2388 1.8607 1.8607 1.8747 1.8747 2.1172 2.1172 2.1540 2.1540 2.3511 2.3511 2.4315 2.4315 2.6001 2.6001 2.7219 2.7219 3.1134 3.1134 3.7926 3.7926 3.9166 3.9166 4.4293 4.4293 4.9236 4.9236 5.1831 5.1831 5.3168 5.3168 5.6738 5.6738 5.8959 5.8959 6.4670 6.4670 6.5017 6.5017 6.7248 6.7248 9.1376 9.1376 k =-0.1008 0.1338 0.2191 ( 18561 PWs) bands (ev): -14.7811 -14.7811 -14.6931 -14.6931 -7.5482 -7.5482 -6.9504 -6.9504 -6.8717 -6.8717 -6.6717 -6.6717 -3.6934 -3.6934 -3.4586 -3.4586 -2.4264 -2.4264 -2.2284 -2.2284 -2.1094 -2.1094 -1.9194 -1.9194 0.6003 0.6003 1.2583 1.2583 1.8499 1.8499 1.8724 1.8724 2.1079 2.1079 2.1470 2.1470 2.3615 2.3615 2.4283 2.4283 2.5952 2.5952 2.7243 2.7243 3.0972 3.0972 3.7382 3.7382 3.9307 3.9307 4.4222 4.4222 4.9667 4.9667 5.1836 5.1836 5.3361 5.3361 5.6639 5.6639 5.9096 5.9096 6.4444 6.4444 6.5012 6.5012 6.7212 6.7212 9.2090 9.2090 k =-0.1092 0.1450 0.2374 ( 18569 PWs) bands (ev): -14.7802 -14.7802 -14.6934 -14.6934 -7.5388 -7.5388 -6.9508 -6.9508 -6.8838 -6.8838 -6.6708 -6.6708 -3.6939 -3.6939 -3.4625 -3.4625 -2.4274 -2.4274 -2.2288 -2.2288 -2.1163 -2.1163 -1.9224 -1.9224 0.6305 0.6305 1.2775 1.2775 1.8266 1.8266 1.8831 1.8831 2.0835 2.0835 2.1548 2.1548 2.3719 2.3719 2.4256 2.4256 2.5902 2.5902 2.7262 2.7262 3.0801 3.0801 3.6839 3.6839 3.9454 3.9454 4.4146 4.4146 5.0087 5.0087 5.1854 5.1854 5.3556 5.3556 5.6532 5.6532 5.9247 5.9247 6.4223 6.4223 6.5007 6.5007 6.7175 6.7175 9.1865 9.1865 k =-0.1176 0.1561 0.2556 ( 18577 PWs) bands (ev): -14.7792 -14.7792 -14.6937 -14.6937 -7.5288 -7.5288 -6.9513 -6.9513 -6.8967 -6.8967 -6.6699 -6.6699 -3.6941 -3.6941 -3.4666 -3.4666 -2.4282 -2.4282 -2.2288 -2.2288 -2.1233 -2.1233 -1.9255 -1.9255 0.6614 0.6614 1.2959 1.2959 1.8035 1.8035 1.8945 1.8945 2.0551 2.0551 2.1666 2.1666 2.3811 2.3811 2.4248 2.4248 2.5851 2.5851 2.7276 2.7276 3.0625 3.0625 3.6300 3.6300 3.9607 3.9607 4.4068 4.4068 5.0496 5.0496 5.1889 5.1889 5.3749 5.3749 5.6420 5.6420 5.9413 5.9413 6.4013 6.4013 6.5003 6.5003 6.7139 6.7139 9.1520 9.1520 k =-0.1260 0.1673 0.2739 ( 18565 PWs) bands (ev): -14.7782 -14.7782 -14.6941 -14.6941 -7.5180 -7.5180 -6.9517 -6.9517 -6.9105 -6.9105 -6.6690 -6.6690 -3.6942 -3.6942 -3.4707 -3.4707 -2.4288 -2.4288 -2.2283 -2.2283 -2.1304 -2.1304 -1.9289 -1.9289 0.6927 0.6927 1.3127 1.3127 1.7817 1.7817 1.9064 1.9064 2.0255 2.0255 2.1799 2.1799 2.3865 2.3865 2.4282 2.4282 2.5799 2.5799 2.7286 2.7286 3.0444 3.0444 3.5764 3.5764 3.9764 3.9764 4.3985 4.3985 5.0895 5.0895 5.1941 5.1941 5.3936 5.3936 5.6301 5.6301 5.9594 5.9594 6.3816 6.3816 6.4999 6.4999 6.7104 6.7104 9.1223 9.1223 k =-0.1344 0.1784 0.2921 ( 18567 PWs) bands (ev): -14.7771 -14.7771 -14.6945 -14.6945 -7.5066 -7.5066 -6.9522 -6.9522 -6.9250 -6.9250 -6.6680 -6.6680 -3.6940 -3.6940 -3.4748 -3.4748 -2.4290 -2.4290 -2.2274 -2.2274 -2.1373 -2.1373 -1.9324 -1.9324 0.7238 0.7238 1.3269 1.3269 1.7620 1.7620 1.9185 1.9185 1.9957 1.9957 2.1941 2.1941 2.3865 2.3865 2.4376 2.4376 2.5746 2.5746 2.7289 2.7289 3.0261 3.0261 3.5233 3.5233 3.9924 3.9924 4.3899 4.3899 5.1282 5.1282 5.2011 5.2011 5.4114 5.4114 5.6176 5.6176 5.9789 5.9789 6.3634 6.3634 6.4994 6.4994 6.7072 6.7072 9.0974 9.0974 k =-0.1428 0.1896 0.3104 ( 18557 PWs) bands (ev): -14.7760 -14.7760 -14.6949 -14.6949 -7.4946 -7.4946 -6.9528 -6.9528 -6.9403 -6.9403 -6.6672 -6.6672 -3.6935 -3.6935 -3.4789 -3.4789 -2.4289 -2.4289 -2.2259 -2.2259 -2.1441 -2.1441 -1.9360 -1.9360 0.7544 0.7544 1.3377 1.3377 1.7455 1.7455 1.9300 1.9300 1.9672 1.9672 2.2090 2.2090 2.3825 2.3825 2.4514 2.4514 2.5693 2.5693 2.7288 2.7288 3.0076 3.0076 3.4706 3.4706 4.0086 4.0086 4.3809 4.3809 5.1658 5.1658 5.2101 5.2101 5.4280 5.4280 5.6046 5.6046 6.0000 6.0000 6.3468 6.3468 6.4990 6.4990 6.7043 6.7043 9.0775 9.0775 k =-0.1512 0.2007 0.3287 ( 18561 PWs) bands (ev): -14.7749 -14.7749 -14.6954 -14.6954 -7.4819 -7.4819 -6.9576 -6.9576 -6.9520 -6.9520 -6.6663 -6.6663 -3.6926 -3.6926 -3.4830 -3.4830 -2.4283 -2.4283 -2.2239 -2.2239 -2.1508 -2.1508 -1.9398 -1.9398 0.7839 0.7839 1.3441 1.3441 1.7332 1.7332 1.9295 1.9295 1.9518 1.9518 2.2242 2.2242 2.3761 2.3761 2.4680 2.4680 2.5640 2.5640 2.7281 2.7281 2.9892 2.9892 3.4185 3.4185 4.0249 4.0249 4.3715 4.3715 5.2023 5.2023 5.2209 5.2209 5.4430 5.4430 5.5911 5.5911 6.0226 6.0226 6.3320 6.3320 6.4986 6.4986 6.7020 6.7020 9.0625 9.0625 k =-0.1595 0.2119 0.3469 ( 18555 PWs) bands (ev): -14.7737 -14.7737 -14.6959 -14.6959 -7.4686 -7.4686 -6.9738 -6.9738 -6.9529 -6.9529 -6.6655 -6.6655 -3.6915 -3.6915 -3.4870 -3.4870 -2.4273 -2.4273 -2.2213 -2.2213 -2.1572 -2.1572 -1.9437 -1.9437 0.8117 0.8117 1.3454 1.3454 1.7259 1.7259 1.9056 1.9056 1.9613 1.9613 2.2396 2.2396 2.3685 2.3685 2.4864 2.4864 2.5588 2.5588 2.7270 2.7270 2.9710 2.9710 3.3669 3.3669 4.0413 4.0413 4.3617 4.3617 5.2335 5.2335 5.2376 5.2376 5.4561 5.4561 5.5772 5.5772 6.0466 6.0466 6.3189 6.3189 6.4981 6.4981 6.7002 6.7002 9.0524 9.0524 k =-0.1679 0.2230 0.3652 ( 18543 PWs) bands (ev): -14.7726 -14.7726 -14.6965 -14.6965 -7.4548 -7.4548 -6.9912 -6.9912 -6.9533 -6.9533 -6.6647 -6.6647 -3.6900 -3.6900 -3.4909 -3.4909 -2.4259 -2.4259 -2.2182 -2.2182 -2.1633 -2.1633 -1.9476 -1.9476 0.8371 0.8371 1.3413 1.3413 1.7236 1.7236 1.8807 1.8807 1.9743 1.9743 2.2548 2.2548 2.3601 2.3601 2.5062 2.5062 2.5539 2.5539 2.7257 2.7257 2.9534 2.9534 3.3161 3.3161 4.0575 4.0575 4.3514 4.3514 5.2479 5.2479 5.2716 5.2716 5.4673 5.4673 5.5628 5.5628 6.0720 6.0720 6.3076 6.3076 6.4976 6.4976 6.6990 6.6990 9.0472 9.0472 k =-0.1763 0.2342 0.3834 ( 18539 PWs) bands (ev): -14.7714 -14.7714 -14.6971 -14.6971 -7.4404 -7.4404 -7.0092 -7.0092 -6.9536 -6.9536 -6.6640 -6.6640 -3.6881 -3.6881 -3.4947 -3.4947 -2.4239 -2.4239 -2.2145 -2.2145 -2.1692 -2.1692 -1.9515 -1.9515 0.8596 0.8596 1.3323 1.3323 1.7259 1.7259 1.8585 1.8585 1.9877 1.9877 2.2690 2.2690 2.3517 2.3517 2.5259 2.5259 2.5504 2.5504 2.7242 2.7242 2.9364 2.9364 3.2659 3.2659 4.0736 4.0736 4.3406 4.3406 5.2637 5.2637 5.3044 5.3044 5.4761 5.4761 5.5481 5.5481 6.0985 6.0985 6.2982 6.2982 6.4970 6.4970 6.6985 6.6985 9.0467 9.0467 k =-0.1847 0.2453 0.4017 ( 18531 PWs) bands (ev): -14.7702 -14.7702 -14.6977 -14.6977 -7.4255 -7.4255 -7.0278 -7.0278 -6.9538 -6.9538 -6.6634 -6.6634 -3.6858 -3.6858 -3.4984 -3.4984 -2.4214 -2.4214 -2.2104 -2.2104 -2.1747 -2.1747 -1.9553 -1.9553 0.8784 0.8784 1.3192 1.3192 1.7313 1.7313 1.8405 1.8405 2.0012 2.0012 2.2806 2.2806 2.3447 2.3447 2.5363 2.5363 2.5574 2.5574 2.7228 2.7228 2.9203 2.9203 3.2166 3.2166 4.0894 4.0894 4.3295 4.3295 5.2808 5.2808 5.3359 5.3359 5.4825 5.4825 5.5333 5.5333 6.1258 6.1258 6.2907 6.2907 6.4963 6.4963 6.6988 6.6988 9.0509 9.0509 k =-0.1931 0.2565 0.4200 ( 18523 PWs) bands (ev): -14.7691 -14.7691 -14.6984 -14.6984 -7.4103 -7.4103 -7.0467 -7.0467 -6.9540 -6.9540 -6.6628 -6.6628 -3.6832 -3.6832 -3.5019 -3.5019 -2.4184 -2.4184 -2.2059 -2.2059 -2.1797 -2.1797 -1.9591 -1.9591 0.8930 0.8930 1.3030 1.3030 1.7378 1.7378 1.8286 1.8286 2.0146 2.0146 2.2865 2.2865 2.3420 2.3420 2.5338 2.5338 2.5789 2.5789 2.7217 2.7217 2.9054 2.9054 3.1681 3.1681 4.1050 4.1050 4.3179 4.3179 5.2988 5.2988 5.3658 5.3658 5.4859 5.4859 5.5189 5.5189 6.1536 6.1536 6.2853 6.2853 6.4953 6.4953 6.6996 6.6996 9.0597 9.0597 k =-0.2015 0.2676 0.4382 ( 18523 PWs) bands (ev): -14.7679 -14.7679 -14.6991 -14.6991 -7.3947 -7.3947 -7.0659 -7.0659 -6.9541 -6.9541 -6.6624 -6.6624 -3.6801 -3.6801 -3.5052 -3.5052 -2.4149 -2.4149 -2.2012 -2.2012 -2.1840 -2.1840 -1.9628 -1.9628 0.9028 0.9028 1.2848 1.2848 1.7430 1.7430 1.8245 1.8245 2.0277 2.0277 2.2840 2.2840 2.3461 2.3461 2.5292 2.5292 2.6038 2.6038 2.7209 2.7209 2.8920 2.8920 3.1206 3.1206 4.1202 4.1202 4.3059 4.3059 5.3176 5.3176 5.3939 5.3939 5.4854 5.4854 5.5065 5.5065 6.1810 6.1810 6.2824 6.2824 6.4941 6.4941 6.7011 6.7011 9.0728 9.0728 k =-0.2099 0.2788 0.4565 ( 18527 PWs) bands (ev): -14.7668 -14.7668 -14.6999 -14.6999 -7.3789 -7.3789 -7.0853 -7.0853 -6.9541 -6.9541 -6.6621 -6.6621 -3.6767 -3.6767 -3.5084 -3.5084 -2.4108 -2.4108 -2.1976 -2.1976 -2.1866 -2.1866 -1.9664 -1.9664 0.9076 0.9076 1.2654 1.2654 1.7460 1.7460 1.8289 1.8289 2.0402 2.0402 2.2748 2.2748 2.3551 2.3551 2.5246 2.5246 2.6303 2.6303 2.7209 2.7209 2.8803 2.8803 3.0740 3.0740 4.1349 4.1349 4.2936 4.2936 5.3366 5.3366 5.4186 5.4186 5.4800 5.4800 5.4984 5.4984 6.2063 6.2063 6.2832 6.2832 6.4925 6.4925 6.7032 6.7032 9.0900 9.0900 k =-0.2183 0.2899 0.4747 ( 18551 PWs) bands (ev): -14.7657 -14.7657 -14.7007 -14.7007 -7.3630 -7.3630 -7.1045 -7.1045 -6.9540 -6.9540 -6.6618 -6.6618 -3.6730 -3.6730 -3.5114 -3.5114 -2.4062 -2.4062 -2.1977 -2.1977 -2.1846 -2.1846 -1.9698 -1.9698 0.9074 0.9074 1.2453 1.2453 1.7480 1.7480 1.8399 1.8399 2.0520 2.0520 2.2620 2.2620 2.3652 2.3652 2.5206 2.5206 2.6579 2.6579 2.7219 2.7219 2.8706 2.8706 3.0286 3.0286 4.1492 4.1492 4.2810 4.2810 5.3556 5.3556 5.4334 5.4334 5.4774 5.4774 5.4935 5.4935 6.2263 6.2263 6.2906 6.2906 6.4904 6.4904 6.7056 6.7056 9.1110 9.1110 k =-0.2267 0.3011 0.4930 ( 18553 PWs) bands (ev): -14.7646 -14.7646 -14.7015 -14.7015 -7.3474 -7.3474 -7.1234 -7.1234 -6.9539 -6.9539 -6.6617 -6.6617 -3.6689 -3.6689 -3.5143 -3.5143 -2.4011 -2.4011 -2.2005 -2.2005 -2.1792 -2.1792 -1.9731 -1.9731 0.9025 0.9025 1.2250 1.2250 1.7510 1.7510 1.8550 1.8550 2.0627 2.0627 2.2476 2.2476 2.3743 2.3743 2.5178 2.5178 2.6864 2.6864 2.7242 2.7242 2.8632 2.8632 2.9844 2.9844 4.1629 4.1629 4.2684 4.2684 5.3741 5.3741 5.4292 5.4292 5.4884 5.4884 5.4905 5.4905 6.2377 6.2377 6.3071 6.3071 6.4877 6.4877 6.7082 6.7082 9.1356 9.1356 k =-0.2351 0.3122 0.5113 ( 18559 PWs) bands (ev): -14.7636 -14.7636 -14.7024 -14.7024 -7.3324 -7.3324 -7.1414 -7.1414 -6.9536 -6.9536 -6.6617 -6.6617 -3.6645 -3.6645 -3.5170 -3.5170 -2.3956 -2.3956 -2.2039 -2.2039 -2.1726 -2.1726 -1.9761 -1.9761 0.8935 0.8935 1.2046 1.2046 1.7563 1.7563 1.8722 1.8722 2.0717 2.0717 2.2327 2.2327 2.3808 2.3808 2.5167 2.5167 2.7133 2.7133 2.7300 2.7300 2.8582 2.8582 2.9419 2.9419 4.1757 4.1757 4.2560 4.2560 5.3917 5.3917 5.4148 5.4148 5.4821 5.4821 5.5115 5.5115 6.2423 6.2423 6.3303 6.3303 6.4842 6.4842 6.7111 6.7111 9.1633 9.1633 k =-0.2435 0.3234 0.5295 ( 18573 PWs) bands (ev): -14.7626 -14.7626 -14.7033 -14.7033 -7.3189 -7.3189 -7.1578 -7.1578 -6.9533 -6.9533 -6.6618 -6.6618 -3.6597 -3.6597 -3.5196 -3.5196 -2.3896 -2.3896 -2.2073 -2.2073 -2.1654 -2.1654 -1.9789 -1.9789 0.8811 0.8811 1.1843 1.1843 1.7642 1.7642 1.8904 1.8904 2.0782 2.0782 2.2184 2.2184 2.3838 2.3838 2.5179 2.5179 2.7271 2.7271 2.7503 2.7503 2.8560 2.8560 2.9018 2.9018 4.1870 4.1870 4.2445 4.2445 5.3960 5.3960 5.4094 5.4094 5.4745 5.4745 5.5338 5.5338 6.2433 6.2433 6.3559 6.3559 6.4800 6.4800 6.7138 6.7138 9.1937 9.1937 k =-0.2519 0.3345 0.5478 ( 18593 PWs) bands (ev): -14.7616 -14.7616 -14.7043 -14.7043 -7.3082 -7.3082 -7.1711 -7.1711 -6.9529 -6.9529 -6.6620 -6.6620 -3.6548 -3.6548 -3.5220 -3.5220 -2.3832 -2.3832 -2.2105 -2.2105 -2.1578 -2.1578 -1.9814 -1.9814 0.8662 0.8662 1.1643 1.1643 1.7744 1.7744 1.9088 1.9088 2.0811 2.0811 2.2062 2.2062 2.3829 2.3829 2.5214 2.5214 2.7341 2.7341 2.7755 2.7755 2.8565 2.8565 2.8675 2.8675 4.1947 4.1947 4.2362 4.2362 5.3771 5.3771 5.4240 5.4240 5.4658 5.4658 5.5558 5.5558 6.2426 6.2426 6.3814 6.3814 6.4753 6.4753 6.7165 6.7165 9.2262 9.2262 k =-0.2603 0.3457 0.5660 ( 18593 PWs) bands (ev): -14.7606 -14.7606 -14.7053 -14.7053 -7.3022 -7.3022 -7.1794 -7.1794 -6.9524 -6.9524 -6.6624 -6.6624 -3.6496 -3.6496 -3.5243 -3.5243 -2.3765 -2.3765 -2.2137 -2.2137 -2.1499 -2.1499 -1.9838 -1.9838 0.8494 0.8494 1.1449 1.1449 1.7864 1.7864 1.9270 1.9270 2.0790 2.0790 2.1976 2.1976 2.3783 2.3783 2.5270 2.5270 2.7415 2.7415 2.7833 2.7833 2.8534 2.8534 2.8606 2.8606 4.1943 4.1943 4.2354 4.2354 5.3566 5.3566 5.4368 5.4368 5.4563 5.4563 5.5771 5.5771 6.2406 6.2406 6.4042 6.4042 6.4709 6.4709 6.7188 6.7188 9.2602 9.2602 k =-0.2687 0.3568 0.5843 ( 18609 PWs) bands (ev): -14.7597 -14.7597 -14.7063 -14.7063 -7.3029 -7.3029 -7.1807 -7.1807 -6.9519 -6.9519 -6.6629 -6.6629 -3.6442 -3.6442 -3.5265 -3.5265 -2.3695 -2.3695 -2.2166 -2.2166 -2.1417 -2.1417 -1.9858 -1.9858 0.8315 0.8315 1.1263 1.1263 1.7998 1.7998 1.9446 1.9446 2.0712 2.0712 2.1935 2.1935 2.3707 2.3707 2.5339 2.5339 2.7503 2.7503 2.7602 2.7602 2.8655 2.8655 2.8750 2.8750 4.1860 4.1860 4.2422 4.2422 5.3352 5.3352 5.4417 5.4417 5.4518 5.4518 5.5974 5.5974 6.2374 6.2374 6.4205 6.4205 6.4700 6.4700 6.7208 6.7208 9.2949 9.2949 k =-0.2771 0.3680 0.6026 ( 18597 PWs) bands (ev): -14.7589 -14.7589 -14.7073 -14.7073 -7.3104 -7.3104 -7.1748 -7.1748 -6.9512 -6.9512 -6.6634 -6.6634 -3.6386 -3.6386 -3.5285 -3.5285 -2.3622 -2.3622 -2.2194 -2.2194 -2.1334 -2.1334 -1.9877 -1.9877 0.8130 0.8130 1.1089 1.1089 1.8137 1.8137 1.9613 1.9613 2.0583 2.0583 2.1938 2.1938 2.3606 2.3606 2.5414 2.5414 2.7268 2.7268 2.7604 2.7604 2.8752 2.8752 2.9075 2.9075 4.1740 4.1740 4.2524 4.2524 5.3129 5.3129 5.4318 5.4318 5.4592 5.4592 5.6168 5.6168 6.2329 6.2329 6.4242 6.4242 6.4776 6.4776 6.7222 6.7222 9.3295 9.3295 k =-0.2855 0.3791 0.6208 ( 18595 PWs) bands (ev): -14.7581 -14.7581 -14.7083 -14.7083 -7.3231 -7.3231 -7.1634 -7.1634 -6.9505 -6.9505 -6.6641 -6.6641 -3.6330 -3.6330 -3.5305 -3.5305 -2.3548 -2.3548 -2.2221 -2.2221 -2.1249 -2.1249 -1.9893 -1.9893 0.7944 0.7944 1.0929 1.0929 1.8278 1.8278 1.9764 1.9764 2.0420 2.0420 2.1972 2.1972 2.3488 2.3488 2.5491 2.5491 2.6920 2.6920 2.7720 2.7720 2.8872 2.8872 2.9446 2.9446 4.1607 4.1607 4.2636 4.2636 5.2896 5.2896 5.4197 5.4197 5.4657 5.4657 5.6353 5.6353 6.2270 6.2270 6.4169 6.4169 6.4915 6.4915 6.7231 6.7231 9.3628 9.3628 k =-0.2939 0.3903 0.6391 ( 18586 PWs) bands (ev): -14.7573 -14.7573 -14.7094 -14.7094 -7.3389 -7.3389 -7.1485 -7.1485 -6.9497 -6.9497 -6.6649 -6.6649 -3.6272 -3.6272 -3.5323 -3.5323 -2.3473 -2.3473 -2.2247 -2.2247 -2.1164 -2.1164 -1.9906 -1.9906 0.7761 0.7761 1.0786 1.0786 1.8414 1.8414 1.9873 1.9873 2.0263 2.0263 2.2026 2.2026 2.3357 2.3357 2.5565 2.5565 2.6577 2.6577 2.7849 2.7849 2.9015 2.9015 2.9841 2.9841 4.1468 4.1468 4.2752 4.2752 5.2654 5.2654 5.4070 5.4070 5.4698 5.4698 5.6528 5.6528 6.2195 6.2195 6.4040 6.4040 6.5061 6.5061 6.7234 6.7234 9.3937 9.3937 k =-0.3023 0.4014 0.6573 ( 18590 PWs) bands (ev): -14.7566 -14.7566 -14.7105 -14.7105 -7.3564 -7.3564 -7.1316 -7.1316 -6.9488 -6.9488 -6.6658 -6.6658 -3.6215 -3.6215 -3.5341 -3.5341 -2.3398 -2.3398 -2.2271 -2.2271 -2.1078 -2.1078 -1.9918 -1.9918 0.7583 0.7583 1.0664 1.0664 1.8540 1.8540 1.9843 1.9843 2.0219 2.0219 2.2092 2.2092 2.3218 2.3218 2.5632 2.5632 2.6245 2.6245 2.7991 2.7991 2.9179 2.9179 3.0252 3.0252 4.1327 4.1327 4.2868 4.2868 5.2403 5.2403 5.3940 5.3940 5.4713 5.4713 5.6694 5.6694 6.2103 6.2103 6.3875 6.3875 6.5187 6.5187 6.7230 6.7230 9.4209 9.4209 k =-0.3023 0.4014 0.6573 ( 18590 PWs) bands (ev): -14.7566 -14.7566 -14.7105 -14.7105 -7.3564 -7.3564 -7.1316 -7.1316 -6.9488 -6.9488 -6.6658 -6.6658 -3.6215 -3.6215 -3.5341 -3.5341 -2.3398 -2.3398 -2.2271 -2.2271 -2.1078 -2.1078 -1.9918 -1.9918 0.7583 0.7583 1.0664 1.0664 1.8540 1.8540 1.9843 1.9843 2.0219 2.0219 2.2092 2.2092 2.3218 2.3218 2.5632 2.5632 2.6245 2.6245 2.7991 2.7991 2.9179 2.9179 3.0252 3.0252 4.1327 4.1327 4.2868 4.2868 5.2403 5.2403 5.3940 5.3940 5.4713 5.4713 5.6694 5.6694 6.2103 6.2103 6.3875 6.3875 6.5187 6.5187 6.7230 6.7230 9.4209 9.4209 k =-0.2916 0.3872 0.6709 ( 18592 PWs) bands (ev): -14.7566 -14.7566 -14.7105 -14.7105 -7.3564 -7.3564 -7.1313 -7.1313 -6.9490 -6.9490 -6.6664 -6.6664 -3.6214 -3.6214 -3.5338 -3.5338 -2.3396 -2.3396 -2.2267 -2.2267 -2.1074 -2.1074 -1.9917 -1.9917 0.7598 0.7598 1.0665 1.0665 1.8540 1.8540 1.9843 1.9843 2.0219 2.0219 2.2091 2.2091 2.3204 2.3204 2.5620 2.5620 2.6238 2.6238 2.7992 2.7992 2.9170 2.9170 3.0246 3.0246 4.1332 4.1332 4.2870 4.2870 5.2398 5.2398 5.3935 5.3935 5.4713 5.4713 5.6688 5.6688 6.2105 6.2105 6.3877 6.3877 6.5185 6.5185 6.7205 6.7205 9.4180 9.4180 k =-0.2809 0.3730 0.6845 ( 18585 PWs) bands (ev): -14.7566 -14.7566 -14.7104 -14.7104 -7.3565 -7.3565 -7.1303 -7.1303 -6.9495 -6.9495 -6.6680 -6.6680 -3.6211 -3.6211 -3.5328 -3.5328 -2.3390 -2.3390 -2.2253 -2.2253 -2.1061 -2.1061 -1.9917 -1.9917 0.7640 0.7640 1.0666 1.0666 1.8539 1.8539 1.9842 1.9842 2.0217 2.0217 2.2088 2.2088 2.3162 2.3162 2.5584 2.5584 2.6217 2.6217 2.7994 2.7994 2.9142 2.9142 3.0227 3.0227 4.1347 4.1347 4.2876 4.2876 5.2383 5.2383 5.3920 5.3920 5.4714 5.4714 5.6671 5.6671 6.2113 6.2113 6.3882 6.3882 6.5178 6.5178 6.7131 6.7131 9.4106 9.4106 k =-0.2702 0.3588 0.6981 ( 18580 PWs) bands (ev): -14.7567 -14.7567 -14.7103 -14.7103 -7.3567 -7.3567 -7.1286 -7.1286 -6.9503 -6.9503 -6.6708 -6.6708 -3.6206 -3.6206 -3.5311 -3.5311 -2.3381 -2.3381 -2.2231 -2.2231 -2.1040 -2.1040 -1.9916 -1.9916 0.7711 0.7711 1.0669 1.0669 1.8539 1.8539 1.9840 1.9840 2.0216 2.0216 2.2083 2.2083 2.3093 2.3093 2.5524 2.5524 2.6182 2.6182 2.7997 2.7997 2.9098 2.9098 3.0197 3.0197 4.1373 4.1373 4.2887 4.2887 5.2359 5.2359 5.3896 5.3896 5.4715 5.4715 5.6643 5.6643 6.2124 6.2124 6.3890 6.3890 6.5165 6.5165 6.7012 6.7012 9.4011 9.4011 k =-0.2595 0.3446 0.7117 ( 18583 PWs) bands (ev): -14.7567 -14.7567 -14.7102 -14.7102 -7.3570 -7.3570 -7.1263 -7.1263 -6.9515 -6.9515 -6.6747 -6.6747 -3.6200 -3.6200 -3.5289 -3.5289 -2.3369 -2.3369 -2.2201 -2.2201 -2.1010 -2.1010 -1.9915 -1.9915 0.7809 0.7809 1.0673 1.0673 1.8538 1.8538 1.9838 1.9838 2.0213 2.0213 2.2076 2.2076 2.2997 2.2997 2.5439 2.5439 2.6132 2.6132 2.8001 2.8001 2.9038 2.9038 3.0157 3.0157 4.1407 4.1407 4.2902 4.2902 5.2327 5.2327 5.3864 5.3864 5.4716 5.4716 5.6606 5.6606 6.2139 6.2139 6.3900 6.3900 6.5141 6.5141 6.6858 6.6858 9.3914 9.3914 k =-0.2488 0.3304 0.7253 ( 18589 PWs) bands (ev): -14.7568 -14.7568 -14.7101 -14.7101 -7.3573 -7.3573 -7.1232 -7.1232 -6.9529 -6.9529 -6.6796 -6.6796 -3.6192 -3.6192 -3.5261 -3.5261 -2.3355 -2.3355 -2.2162 -2.2162 -2.0972 -2.0972 -1.9913 -1.9913 0.7934 0.7934 1.0678 1.0678 1.8538 1.8538 1.9836 1.9836 2.0209 2.0209 2.2066 2.2066 2.2877 2.2877 2.5329 2.5329 2.6069 2.6069 2.8006 2.8006 2.8966 2.8966 3.0108 3.0108 4.1449 4.1449 4.2922 4.2922 5.2288 5.2288 5.3824 5.3824 5.4715 5.4715 5.6561 5.6561 6.2155 6.2155 6.3914 6.3914 6.5101 6.5101 6.6679 6.6679 9.3826 9.3826 k =-0.2381 0.3162 0.7389 ( 18585 PWs) bands (ev): -14.7569 -14.7569 -14.7099 -14.7099 -7.3578 -7.3578 -7.1194 -7.1194 -6.9546 -6.9546 -6.6855 -6.6855 -3.6182 -3.6182 -3.5228 -3.5228 -2.3339 -2.3339 -2.2116 -2.2116 -2.0927 -2.0927 -1.9911 -1.9911 0.8084 0.8084 1.0686 1.0686 1.8537 1.8537 1.9833 1.9833 2.0206 2.0206 2.2053 2.2053 2.2735 2.2735 2.5194 2.5194 2.5991 2.5991 2.8011 2.8011 2.8882 2.8882 3.0053 3.0053 4.1498 4.1498 4.2946 4.2946 5.2242 5.2242 5.3778 5.3778 5.4711 5.4711 5.6510 5.6510 6.2172 6.2172 6.3931 6.3931 6.5035 6.5035 6.6492 6.6492 9.3754 9.3754 k =-0.2274 0.3019 0.7525 ( 18573 PWs) bands (ev): -14.7570 -14.7570 -14.7097 -14.7097 -7.3585 -7.3585 -7.1148 -7.1148 -6.9566 -6.9566 -6.6925 -6.6925 -3.6172 -3.6172 -3.5191 -3.5191 -2.3322 -2.3322 -2.2063 -2.2063 -2.0874 -2.0874 -1.9908 -1.9908 0.8258 0.8258 1.0698 1.0698 1.8535 1.8535 1.9830 1.9830 2.0201 2.0201 2.2035 2.2035 2.2575 2.2575 2.5033 2.5033 2.5900 2.5900 2.8017 2.8017 2.8791 2.8791 2.9994 2.9994 4.1553 4.1553 4.2976 4.2976 5.2191 5.2191 5.3727 5.3727 5.4705 5.4705 5.6455 5.6455 6.2187 6.2187 6.3950 6.3950 6.4930 6.4930 6.6318 6.6318 9.3703 9.3703 k =-0.2167 0.2877 0.7661 ( 18579 PWs) bands (ev): -14.7572 -14.7572 -14.7095 -14.7095 -7.3593 -7.3593 -7.1094 -7.1094 -6.9587 -6.9587 -6.7003 -6.7003 -3.6161 -3.6161 -3.5150 -3.5150 -2.3305 -2.3305 -2.2003 -2.2003 -2.0815 -2.0815 -1.9905 -1.9905 0.8454 0.8454 1.0713 1.0713 1.8533 1.8533 1.9826 1.9826 2.0196 2.0196 2.2007 2.2007 2.2405 2.2405 2.4847 2.4847 2.5796 2.5796 2.8021 2.8021 2.8695 2.8695 2.9934 2.9934 4.1611 4.1611 4.3010 4.3010 5.2137 5.2137 5.3674 5.3674 5.4694 5.4694 5.6398 5.6398 6.2197 6.2197 6.3971 6.3971 6.4776 6.4776 6.6176 6.6176 9.3678 9.3678 k =-0.2060 0.2735 0.7797 ( 18580 PWs) bands (ev): -14.7573 -14.7573 -14.7092 -14.7092 -7.3602 -7.3602 -7.1032 -7.1032 -6.9610 -6.9610 -6.7091 -6.7091 -3.6149 -3.6149 -3.5106 -3.5106 -2.3289 -2.3289 -2.1938 -2.1938 -2.0750 -2.0750 -1.9900 -1.9900 0.8669 0.8669 1.0734 1.0734 1.8529 1.8529 1.9823 1.9823 2.0191 2.0191 2.1950 2.1950 2.2246 2.2246 2.4637 2.4637 2.5680 2.5680 2.8025 2.8025 2.8597 2.8597 2.9874 2.9874 4.1670 4.1670 4.3050 4.3050 5.2081 5.2081 5.3618 5.3618 5.4679 5.4679 5.6341 5.6341 6.2198 6.2198 6.3993 6.3993 6.4572 6.4572 6.6077 6.6077 9.3682 9.3682 k =-0.1953 0.2593 0.7933 ( 18576 PWs) bands (ev): -14.7575 -14.7575 -14.7089 -14.7089 -7.3613 -7.3613 -7.0961 -7.0961 -6.9634 -6.9634 -6.7186 -6.7186 -3.6137 -3.6137 -3.5060 -3.5060 -2.3274 -2.3274 -2.1868 -2.1868 -2.0680 -2.0680 -1.9895 -1.9895 0.8900 0.8900 1.0763 1.0763 1.8524 1.8524 1.9821 1.9821 2.0186 2.0186 2.1827 2.1827 2.2138 2.2138 2.4404 2.4404 2.5554 2.5554 2.8028 2.8028 2.8499 2.8499 2.9817 2.9817 4.1730 4.1730 4.3095 4.3095 5.2024 5.2024 5.3562 5.3562 5.4659 5.4659 5.6285 5.6285 6.2185 6.2185 6.4011 6.4011 6.4335 6.4335 6.6018 6.6018 9.3718 9.3718 k =-0.1846 0.2451 0.8069 ( 18586 PWs) bands (ev): -14.7577 -14.7577 -14.7086 -14.7086 -7.3626 -7.3626 -7.0881 -7.0881 -6.9659 -6.9659 -6.7290 -6.7290 -3.6125 -3.6125 -3.5013 -3.5013 -2.3262 -2.3262 -2.1795 -2.1795 -2.0606 -2.0606 -1.9890 -1.9890 0.9143 0.9143 1.0802 1.0802 1.8517 1.8517 1.9819 1.9819 2.0180 2.0180 2.1638 2.1638 2.2086 2.2086 2.4151 2.4151 2.5419 2.5419 2.8029 2.8029 2.8404 2.8404 2.9766 2.9766 4.1789 4.1789 4.3146 4.3146 5.1967 5.1967 5.3508 5.3508 5.4633 5.4633 5.6230 5.6230 6.2152 6.2152 6.3986 6.3986 6.4129 6.4129 6.5989 6.5989 9.3788 9.3788 k =-0.1739 0.2309 0.8205 ( 18586 PWs) bands (ev): -14.7579 -14.7579 -14.7083 -14.7083 -7.3641 -7.3641 -7.0794 -7.0794 -6.9684 -6.9684 -6.7400 -6.7400 -3.6115 -3.6115 -3.4965 -3.4965 -2.3252 -2.3252 -2.1720 -2.1720 -2.0530 -2.0530 -1.9883 -1.9883 0.9391 0.9391 1.0855 1.0855 1.8504 1.8504 1.9818 1.9818 2.0175 2.0175 2.1421 2.1421 2.2056 2.2056 2.3879 2.3879 2.5278 2.5278 2.8028 2.8028 2.8312 2.8312 2.9721 2.9721 4.1845 4.1845 4.3201 4.3201 5.1912 5.1912 5.3456 5.3456 5.4602 5.4602 5.6178 5.6178 6.2090 6.2090 6.3790 6.3790 6.4103 6.4103 6.5980 6.5980 9.3893 9.3893 k =-0.1632 0.2167 0.8341 ( 18590 PWs) bands (ev): -14.7581 -14.7581 -14.7079 -14.7079 -7.3657 -7.3657 -7.0697 -7.0697 -6.9709 -6.9709 -6.7517 -6.7517 -3.6105 -3.6105 -3.4918 -3.4918 -2.3245 -2.3245 -2.1645 -2.1645 -2.0453 -2.0453 -1.9876 -1.9876 0.9636 0.9636 1.0930 1.0930 1.8486 1.8486 1.9818 1.9818 2.0170 2.0170 2.1195 2.1195 2.2034 2.2034 2.3593 2.3593 2.5134 2.5134 2.8024 2.8024 2.8225 2.8225 2.9683 2.9683 4.1898 4.1898 4.3260 4.3260 5.1860 5.1860 5.3407 5.3407 5.4567 5.4567 5.6130 5.6130 6.1989 6.1989 6.3577 6.3577 6.4126 6.4126 6.5982 6.5982 9.4037 9.4037 k =-0.1525 0.2025 0.8477 ( 18577 PWs) bands (ev): -14.7584 -14.7584 -14.7076 -14.7076 -7.3673 -7.3673 -7.0593 -7.0593 -6.9733 -6.9733 -6.7639 -6.7639 -3.6097 -3.6097 -3.4871 -3.4871 -2.3241 -2.3241 -2.1570 -2.1570 -2.0376 -2.0376 -1.9867 -1.9867 0.9867 0.9867 1.1035 1.1035 1.8457 1.8457 1.9819 1.9819 2.0166 2.0166 2.0972 2.0972 2.2015 2.2015 2.3297 2.3297 2.4990 2.4990 2.8018 2.8018 2.8145 2.8145 2.9655 2.9655 4.1945 4.1945 4.3321 4.3321 5.1812 5.1812 5.3362 5.3362 5.4528 5.4528 5.6083 5.6083 6.1845 6.1845 6.3404 6.3404 6.4155 6.4155 6.5991 6.5991 9.4219 9.4219 k =-0.1418 0.1883 0.8613 ( 18571 PWs) bands (ev): -14.7587 -14.7587 -14.7072 -14.7072 -7.3691 -7.3691 -7.0481 -7.0481 -6.9757 -6.9757 -6.7765 -6.7765 -3.6090 -3.6090 -3.4826 -3.4826 -2.3241 -2.3241 -2.1498 -2.1498 -2.0302 -2.0302 -1.9858 -1.9858 1.0070 1.0070 1.1180 1.1180 1.8412 1.8412 1.9823 1.9823 2.0162 2.0162 2.0762 2.0762 2.1997 2.1997 2.2996 2.2996 2.4848 2.4848 2.8008 2.8008 2.8071 2.8071 2.9635 2.9635 4.1988 4.1988 4.3384 4.3384 5.1768 5.1768 5.3323 5.3323 5.4486 5.4486 5.6039 5.6039 6.1660 6.1660 6.3280 6.3280 6.4186 6.4186 6.6002 6.6002 9.4439 9.4439 k =-0.1418 0.1883 0.8613 ( 18571 PWs) bands (ev): -14.7587 -14.7587 -14.7072 -14.7072 -7.3691 -7.3691 -7.0481 -7.0481 -6.9757 -6.9757 -6.7765 -6.7765 -3.6090 -3.6090 -3.4826 -3.4826 -2.3241 -2.3241 -2.1498 -2.1498 -2.0302 -2.0302 -1.9858 -1.9858 1.0070 1.0070 1.1180 1.1180 1.8412 1.8412 1.9823 1.9823 2.0162 2.0162 2.0762 2.0762 2.1997 2.1997 2.2996 2.2996 2.4848 2.4848 2.8008 2.8008 2.8071 2.8071 2.9635 2.9635 4.1988 4.1988 4.3384 4.3384 5.1768 5.1768 5.3323 5.3323 5.4486 5.4486 5.6039 5.6039 6.1660 6.1660 6.3280 6.3280 6.4186 6.4186 6.6002 6.6002 9.4439 9.4439 k =-0.1276 0.1695 0.8613 ( 18555 PWs) bands (ev): -14.7590 -14.7590 -14.7065 -14.7065 -7.3626 -7.3626 -7.0445 -7.0445 -6.9780 -6.9780 -6.7892 -6.7892 -3.6109 -3.6109 -3.4785 -3.4785 -2.3277 -2.3277 -2.1430 -2.1430 -2.0269 -2.0269 -1.9851 -1.9851 1.0335 1.0335 1.1380 1.1380 1.8330 1.8330 1.9881 1.9881 2.0148 2.0148 2.0594 2.0594 2.1926 2.1926 2.2666 2.2666 2.4921 2.4921 2.7933 2.7933 2.8001 2.8001 2.9362 2.9362 4.2076 4.2076 4.3394 4.3394 5.1897 5.1897 5.3350 5.3350 5.4384 5.4384 5.6025 5.6025 6.1481 6.1481 6.3324 6.3324 6.4266 6.4266 6.5938 6.5938 9.4691 9.4691 k =-0.1134 0.1506 0.8613 ( 18558 PWs) bands (ev): -14.7594 -14.7594 -14.7058 -14.7058 -7.3571 -7.3571 -7.0394 -7.0394 -6.9801 -6.9801 -6.8024 -6.8024 -3.6126 -3.6126 -3.4747 -3.4747 -2.3311 -2.3311 -2.1369 -2.1369 -2.0236 -2.0236 -1.9844 -1.9844 1.0561 1.0561 1.1623 1.1623 1.8237 1.8237 1.9855 1.9855 2.0209 2.0209 2.0438 2.0438 2.1850 2.1850 2.2351 2.2351 2.4994 2.4994 2.7866 2.7866 2.7944 2.7944 2.9106 2.9106 4.2150 4.2150 4.3412 4.3412 5.2026 5.2026 5.3376 5.3376 5.4270 5.4270 5.6020 5.6020 6.1284 6.1284 6.3406 6.3406 6.4336 6.4336 6.5859 6.5859 9.4990 9.4990 k =-0.0993 0.1318 0.8613 ( 18554 PWs) bands (ev): -14.7597 -14.7597 -14.7052 -14.7052 -7.3524 -7.3524 -7.0328 -7.0328 -6.9820 -6.9820 -6.8159 -6.8159 -3.6141 -3.6141 -3.4713 -3.4713 -2.3342 -2.3342 -2.1314 -2.1314 -2.0204 -2.0204 -1.9835 -1.9835 1.0748 1.0748 1.1901 1.1901 1.8131 1.8131 1.9782 1.9782 2.0252 2.0252 2.0352 2.0352 2.1758 2.1758 2.2067 2.2067 2.5065 2.5065 2.7808 2.7808 2.7899 2.7899 2.8867 2.8867 4.2211 4.2211 4.3435 4.3435 5.2156 5.2156 5.3398 5.3398 5.4146 5.4146 5.6021 5.6021 6.1087 6.1087 6.3511 6.3511 6.4398 6.4398 6.5767 6.5767 9.5334 9.5334 k =-0.0851 0.1130 0.8613 ( 18550 PWs) bands (ev): -14.7600 -14.7600 -14.7047 -14.7047 -7.3487 -7.3487 -7.0250 -7.0250 -6.9838 -6.9838 -6.8295 -6.8295 -3.6155 -3.6155 -3.4682 -3.4682 -2.3370 -2.3370 -2.1267 -2.1267 -2.0174 -2.0174 -1.9825 -1.9825 1.0899 1.0899 1.2201 1.2201 1.8012 1.8012 1.9692 1.9692 2.0150 2.0150 2.0438 2.0438 2.1624 2.1624 2.1852 2.1852 2.5133 2.5133 2.7761 2.7761 2.7862 2.7862 2.8646 2.8646 4.2260 4.2260 4.3462 4.3462 5.2287 5.2287 5.3415 5.3415 5.4019 5.4019 5.6026 5.6026 6.0902 6.0902 6.3628 6.3628 6.4452 6.4452 6.5662 6.5662 9.5720 9.5720 k =-0.0709 0.0941 0.8613 ( 18558 PWs) bands (ev): -14.7603 -14.7603 -14.7043 -14.7043 -7.3456 -7.3456 -7.0163 -7.0163 -6.9852 -6.9852 -6.8430 -6.8430 -3.6166 -3.6166 -3.4656 -3.4656 -2.3394 -2.3394 -2.1227 -2.1227 -2.0147 -2.0147 -1.9815 -1.9815 1.1023 1.1023 1.2505 1.2505 1.7883 1.7883 1.9595 1.9595 2.0053 2.0053 2.0540 2.0540 2.1438 2.1438 2.1723 2.1723 2.5197 2.5197 2.7726 2.7726 2.7834 2.7834 2.8447 2.8447 4.2298 4.2298 4.3491 4.3491 5.2418 5.2418 5.3425 5.3425 5.3892 5.3892 5.6032 5.6032 6.0735 6.0735 6.3751 6.3751 6.4502 6.4502 6.5548 6.5548 9.6138 9.6138 k =-0.0567 0.0753 0.8613 ( 18542 PWs) bands (ev): -14.7605 -14.7605 -14.7039 -14.7039 -7.3433 -7.3433 -7.0071 -7.0071 -6.9864 -6.9864 -6.8561 -6.8561 -3.6176 -3.6176 -3.4634 -3.4634 -2.3415 -2.3415 -2.1195 -2.1195 -2.0125 -2.0125 -1.9805 -1.9805 1.1122 1.1122 1.2795 1.2795 1.7749 1.7749 1.9499 1.9499 1.9978 1.9978 2.0632 2.0632 2.1257 2.1257 2.1633 2.1633 2.5255 2.5255 2.7705 2.7705 2.7812 2.7812 2.8269 2.8269 4.2326 4.2326 4.3519 4.3519 5.2551 5.2551 5.3422 5.3422 5.3773 5.3773 5.6038 5.6038 6.0594 6.0594 6.3870 6.3870 6.4551 6.4551 6.5427 6.5427 9.6579 9.6579 k =-0.0425 0.0565 0.8613 ( 18537 PWs) bands (ev): -14.7606 -14.7606 -14.7036 -14.7036 -7.3416 -7.3416 -6.9980 -6.9980 -6.9873 -6.9873 -6.8682 -6.8682 -3.6183 -3.6183 -3.4617 -3.4617 -2.3431 -2.3431 -2.1170 -2.1170 -2.0108 -2.0108 -1.9795 -1.9795 1.1199 1.1199 1.3052 1.3052 1.7620 1.7620 1.9414 1.9414 1.9923 1.9923 2.0703 2.0703 2.1123 2.1123 2.1556 2.1556 2.5304 2.5304 2.7699 2.7699 2.7796 2.7796 2.8116 2.8116 4.2346 4.2346 4.3544 4.3544 5.2683 5.2683 5.3393 5.3393 5.3676 5.3676 5.6044 5.6044 6.0480 6.0480 6.3979 6.3979 6.4601 6.4601 6.5303 6.5303 9.7021 9.7021 k =-0.0284 0.0377 0.8613 ( 18549 PWs) bands (ev): -14.7607 -14.7607 -14.7034 -14.7034 -7.3405 -7.3405 -6.9905 -6.9905 -6.9872 -6.9872 -6.8784 -6.8784 -3.6189 -3.6189 -3.4604 -3.4604 -2.3442 -2.3442 -2.1152 -2.1152 -2.0096 -2.0096 -1.9788 -1.9788 1.1255 1.1255 1.3258 1.3258 1.7509 1.7509 1.9347 1.9347 1.9886 1.9886 2.0736 2.0736 2.1056 2.1056 2.1489 2.1489 2.5341 2.5341 2.7710 2.7710 2.7785 2.7785 2.7988 2.7988 4.2360 4.2360 4.3564 4.3564 5.2816 5.2816 5.3323 5.3323 5.3619 5.3619 5.6048 5.6048 6.0397 6.0397 6.4067 6.4067 6.4658 6.4658 6.5184 6.5184 9.7432 9.7432 k =-0.0142 0.0188 0.8613 ( 18548 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3398 -7.3398 -6.9891 -6.9891 -6.9831 -6.9831 -6.8856 -6.8856 -3.6192 -3.6192 -3.4597 -3.4597 -2.3449 -2.3449 -2.1141 -2.1141 -2.0089 -2.0089 -1.9783 -1.9783 1.1289 1.1289 1.3391 1.3391 1.7432 1.7432 1.9304 1.9304 1.9865 1.9865 2.0733 2.0733 2.1048 2.1048 2.1439 2.1439 2.5365 2.5365 2.7738 2.7738 2.7780 2.7780 2.7887 2.7887 4.2367 4.2367 4.3576 4.3576 5.2945 5.2945 5.3221 5.3221 5.3595 5.3595 5.6051 5.6051 6.0346 6.0346 6.4125 6.4125 6.4717 6.4717 6.5083 6.5083 9.7749 9.7749 k = 0.0000 0.0000 0.8613 ( 18564 PWs) bands (ev): -14.7608 -14.7608 -14.7032 -14.7032 -7.3396 -7.3396 -6.9891 -6.9891 -6.9810 -6.9810 -6.8882 -6.8882 -3.6193 -3.6193 -3.4594 -3.4594 -2.3451 -2.3451 -2.1138 -2.1138 -2.0086 -2.0086 -1.9781 -1.9781 1.1300 1.1300 1.3438 1.3438 1.7405 1.7405 1.9289 1.9289 1.9858 1.9858 2.0727 2.0727 2.1053 2.1053 2.1419 2.1419 2.5373 2.5373 2.7762 2.7762 2.7784 2.7784 2.7832 2.7832 4.2370 4.2370 4.3580 4.3580 5.3034 5.3034 5.3138 5.3138 5.3589 5.3589 5.6052 5.6052 6.0329 6.0329 6.4145 6.4145 6.4748 6.4748 6.5037 6.5037 9.7875 9.7875 k = 0.0000 0.0000 0.8613 ( 18564 PWs) bands (ev): -14.7608 -14.7608 -14.7032 -14.7032 -7.3396 -7.3396 -6.9891 -6.9891 -6.9810 -6.9810 -6.8882 -6.8882 -3.6193 -3.6193 -3.4594 -3.4594 -2.3451 -2.3451 -2.1138 -2.1138 -2.0086 -2.0086 -1.9781 -1.9781 1.1300 1.1300 1.3438 1.3438 1.7405 1.7405 1.9289 1.9289 1.9858 1.9858 2.0727 2.0727 2.1053 2.1053 2.1419 2.1419 2.5373 2.5373 2.7762 2.7762 2.7784 2.7784 2.7832 2.7832 4.2370 4.2370 4.3580 4.3580 5.3034 5.3034 5.3138 5.3138 5.3589 5.3589 5.6052 5.6052 6.0329 6.0329 6.4145 6.4145 6.4748 6.4748 6.5037 6.5037 9.7875 9.7875 k = 0.0179 0.0134 0.8613 ( 18556 PWs) bands (ev): -14.7608 -14.7608 -14.7032 -14.7032 -7.3395 -7.3395 -6.9894 -6.9894 -6.9810 -6.9810 -6.8879 -6.8879 -3.6195 -3.6195 -3.4593 -3.4593 -2.3453 -2.3453 -2.1135 -2.1135 -2.0090 -2.0090 -1.9778 -1.9778 1.1302 1.1302 1.3444 1.3444 1.7403 1.7403 1.9278 1.9278 1.9858 1.9858 2.0715 2.0715 2.1039 2.1039 2.1453 2.1453 2.5371 2.5371 2.7750 2.7750 2.7793 2.7793 2.7834 2.7834 4.2370 4.2370 4.3580 4.3580 5.3030 5.3030 5.3140 5.3140 5.3584 5.3584 5.6058 5.6058 6.0329 6.0329 6.4143 6.4143 6.4746 6.4746 6.5037 6.5037 9.7908 9.7908 k = 0.0357 0.0269 0.8613 ( 18556 PWs) bands (ev): -14.7608 -14.7608 -14.7032 -14.7032 -7.3394 -7.3394 -6.9903 -6.9903 -6.9810 -6.9810 -6.8871 -6.8871 -3.6198 -3.6198 -3.4589 -3.4589 -2.3459 -2.3459 -2.1126 -2.1126 -2.0102 -2.0102 -1.9770 -1.9770 1.1307 1.1307 1.3461 1.3461 1.7399 1.7399 1.9246 1.9246 1.9856 1.9856 2.0681 2.0681 2.1012 2.1012 2.1537 2.1537 2.5366 2.5366 2.7729 2.7729 2.7805 2.7805 2.7840 2.7840 4.2370 4.2370 4.3580 4.3580 5.3020 5.3020 5.3147 5.3147 5.3570 5.3570 5.6075 5.6075 6.0330 6.0330 6.4140 6.4140 6.4740 6.4740 6.5039 6.5039 9.8006 9.8006 k = 0.0536 0.0403 0.8613 ( 18550 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3392 -7.3392 -6.9916 -6.9916 -6.9811 -6.9811 -6.8859 -6.8859 -3.6204 -3.6204 -3.4583 -3.4583 -2.3469 -2.3469 -2.1113 -2.1113 -2.0119 -2.0119 -1.9758 -1.9758 1.1315 1.1315 1.3490 1.3490 1.7392 1.7392 1.9194 1.9194 1.9855 1.9855 2.0631 2.0631 2.0990 2.0990 2.1644 2.1644 2.5357 2.5357 2.7706 2.7706 2.7812 2.7812 2.7850 2.7850 4.2371 4.2371 4.3580 4.3580 5.3004 5.3004 5.3156 5.3156 5.3547 5.3547 5.6103 5.6103 6.0330 6.0330 6.4133 6.4133 6.4730 6.4730 6.5042 6.5042 9.8169 9.8169 k = 0.0714 0.0538 0.8613 ( 18552 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3388 -7.3388 -6.9934 -6.9934 -6.9811 -6.9811 -6.8844 -6.8844 -3.6212 -3.6212 -3.4575 -3.4575 -2.3481 -2.3481 -2.1094 -2.1094 -2.0142 -2.0142 -1.9742 -1.9742 1.1325 1.1325 1.3528 1.3528 1.7382 1.7382 1.9123 1.9123 1.9852 1.9852 2.0575 2.0575 2.0977 2.0977 2.1761 2.1761 2.5346 2.5346 2.7683 2.7683 2.7815 2.7815 2.7863 2.7863 4.2372 4.2372 4.3580 4.3580 5.2984 5.2984 5.3166 5.3166 5.3519 5.3519 5.6138 5.6138 6.0330 6.0330 6.4124 6.4124 6.4719 6.4719 6.5046 6.5046 9.8394 9.8394 k = 0.0893 0.0672 0.8613 ( 18556 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3385 -7.3385 -6.9955 -6.9955 -6.9811 -6.9811 -6.8826 -6.8826 -3.6222 -3.6222 -3.4566 -3.4566 -2.3495 -2.3495 -2.1072 -2.1072 -2.0168 -2.0168 -1.9726 -1.9726 1.1338 1.1338 1.3575 1.3575 1.7371 1.7371 1.9037 1.9037 1.9849 1.9849 2.0522 2.0522 2.0971 2.0971 2.1879 2.1879 2.5332 2.5332 2.7658 2.7658 2.7817 2.7817 2.7877 2.7877 4.2373 4.2373 4.3580 4.3580 5.2962 5.2962 5.3177 5.3177 5.3487 5.3487 5.6179 5.6179 6.0330 6.0330 6.4112 6.4112 6.4706 6.4706 6.5050 6.5050 9.8677 9.8677 k = 0.1071 0.0807 0.8613 ( 18562 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3380 -7.3380 -6.9978 -6.9978 -6.9811 -6.9811 -6.8806 -6.8806 -3.6232 -3.6232 -3.4555 -3.4555 -2.3511 -2.3511 -2.1046 -2.1046 -2.0196 -2.0196 -1.9709 -1.9709 1.1352 1.1352 1.3628 1.3628 1.7358 1.7358 1.8940 1.8940 1.9845 1.9845 2.0475 2.0475 2.0969 2.0969 2.1995 2.1995 2.5317 2.5317 2.7634 2.7634 2.7818 2.7818 2.7890 2.7890 4.2374 4.2374 4.3580 4.3580 5.2937 5.2937 5.3186 5.3186 5.3455 5.3455 5.6224 5.6224 6.0331 6.0331 6.4097 6.4097 6.4694 6.4694 6.5054 6.5054 9.9016 9.9016 k = 0.1250 0.0941 0.8613 ( 18550 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3376 -7.3376 -7.0002 -7.0002 -6.9811 -6.9811 -6.8787 -6.8787 -3.6243 -3.6243 -3.4545 -3.4545 -2.3528 -2.3528 -2.1018 -2.1018 -2.0225 -2.0225 -1.9693 -1.9693 1.1367 1.1367 1.3686 1.3686 1.7344 1.7344 1.8835 1.8835 1.9841 1.9841 2.0436 2.0436 2.0970 2.0970 2.2103 2.2103 2.5301 2.5301 2.7611 2.7611 2.7819 2.7819 2.7902 2.7902 4.2376 4.2376 4.3580 4.3580 5.2911 5.2911 5.3194 5.3194 5.3425 5.3425 5.6269 5.6269 6.0331 6.0331 6.4080 6.4080 6.4682 6.4682 6.5058 6.5058 9.9406 9.9406 k = 0.1429 0.1076 0.8613 ( 18552 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3371 -7.3371 -7.0025 -7.0025 -6.9811 -6.9811 -6.8768 -6.8768 -3.6253 -3.6253 -3.4534 -3.4534 -2.3545 -2.3545 -2.0989 -2.0989 -2.0255 -2.0255 -1.9678 -1.9678 1.1382 1.1382 1.3746 1.3746 1.7331 1.7331 1.8730 1.8730 1.9837 1.9837 2.0404 2.0404 2.0971 2.0971 2.2203 2.2203 2.5284 2.5284 2.7589 2.7589 2.7820 2.7820 2.7913 2.7913 4.2377 4.2377 4.3580 4.3580 5.2885 5.2885 5.3199 5.3199 5.3399 5.3399 5.6313 5.6313 6.0332 6.0332 6.4062 6.4062 6.4673 6.4673 6.5062 6.5062 9.9839 9.9839 k = 0.1607 0.1210 0.8613 ( 18542 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3367 -7.3367 -7.0046 -7.0046 -6.9811 -6.9811 -6.8750 -6.8750 -3.6263 -3.6263 -3.4524 -3.4524 -2.3560 -2.3560 -2.0960 -2.0960 -2.0283 -2.0283 -1.9664 -1.9664 1.1396 1.1396 1.3804 1.3804 1.7318 1.7318 1.8629 1.8629 1.9834 1.9834 2.0380 2.0380 2.0974 2.0974 2.2291 2.2291 2.5268 2.5268 2.7569 2.7569 2.7820 2.7820 2.7923 2.7923 4.2378 4.2378 4.3581 4.3581 5.2860 5.2860 5.3200 5.3200 5.3379 5.3379 5.6353 5.6353 6.0332 6.0332 6.4044 6.4044 6.4665 6.4665 6.5065 6.5065 10.0308 10.0308 k = 0.1786 0.1345 0.8613 ( 18542 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3363 -7.3363 -7.0064 -7.0064 -6.9811 -6.9811 -6.8735 -6.8735 -3.6272 -3.6272 -3.4515 -3.4515 -2.3574 -2.3574 -2.0933 -2.0933 -2.0310 -2.0310 -1.9653 -1.9653 1.1409 1.1409 1.3858 1.3858 1.7307 1.7307 1.8537 1.8537 1.9830 1.9830 2.0361 2.0361 2.0976 2.0976 2.2366 2.2366 2.5254 2.5254 2.7551 2.7551 2.7821 2.7821 2.7931 2.7931 4.2380 4.2380 4.3581 4.3581 5.2837 5.2837 5.3199 5.3199 5.3365 5.3365 5.6389 5.6389 6.0332 6.0332 6.4026 6.4026 6.4659 6.4659 6.5068 6.5068 10.0805 10.0805 k = 0.1964 0.1479 0.8613 ( 18544 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3360 -7.3360 -7.0080 -7.0080 -6.9811 -6.9811 -6.8723 -6.8723 -3.6279 -3.6279 -3.4507 -3.4507 -2.3585 -2.3585 -2.0909 -2.0909 -2.0333 -2.0333 -1.9643 -1.9643 1.1420 1.1420 1.3905 1.3905 1.7297 1.7297 1.8459 1.8459 1.9827 1.9827 2.0347 2.0347 2.0978 2.0978 2.2427 2.2427 2.5241 2.5241 2.7537 2.7537 2.7821 2.7821 2.7937 2.7937 4.2381 4.2381 4.3581 4.3581 5.2818 5.2818 5.3195 5.3195 5.3357 5.3357 5.6418 5.6418 6.0333 6.0333 6.4011 6.4011 6.4654 6.4654 6.5071 6.5071 10.1314 10.1314 k = 0.2143 0.1614 0.8613 ( 18544 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3358 -7.3358 -7.0091 -7.0091 -6.9811 -6.9811 -6.8714 -6.8714 -3.6285 -3.6285 -3.4502 -3.4502 -2.3593 -2.3593 -2.0890 -2.0890 -2.0352 -2.0352 -1.9636 -1.9636 1.1428 1.1428 1.3941 1.3941 1.7290 1.7290 1.8400 1.8400 1.9825 1.9825 2.0338 2.0338 2.0980 2.0980 2.2470 2.2470 2.5232 2.5232 2.7526 2.7526 2.7821 2.7821 2.7942 2.7942 4.2381 4.2381 4.3581 4.3581 5.2804 5.2804 5.3191 5.3191 5.3353 5.3353 5.6439 5.6439 6.0333 6.0333 6.3999 6.3999 6.4652 6.4652 6.5072 6.5072 10.1819 10.1819 k = 0.2321 0.1748 0.8613 ( 18530 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3356 -7.3356 -7.0098 -7.0098 -6.9811 -6.9811 -6.8708 -6.8708 -3.6288 -3.6288 -3.4499 -3.4499 -2.3599 -2.3599 -2.0877 -2.0877 -2.0364 -2.0364 -1.9632 -1.9632 1.1433 1.1433 1.3963 1.3963 1.7286 1.7286 1.8363 1.8363 1.9824 1.9824 2.0333 2.0333 2.0981 2.0981 2.2497 2.2497 2.5226 2.5226 2.7520 2.7520 2.7822 2.7822 2.7944 2.7944 4.2382 4.2382 4.3581 4.3581 5.2795 5.2795 5.3188 5.3188 5.3352 5.3352 5.6452 5.6452 6.0333 6.0333 6.3991 6.3991 6.4650 6.4650 6.5073 6.5073 10.2290 10.2290 k = 0.2500 0.1883 0.8613 ( 18524 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3355 -7.3355 -7.0100 -7.0100 -6.9811 -6.9811 -6.8706 -6.8706 -3.6289 -3.6289 -3.4497 -3.4497 -2.3600 -2.3600 -2.0873 -2.0873 -2.0368 -2.0368 -1.9631 -1.9631 1.1435 1.1435 1.3971 1.3971 1.7285 1.7285 1.8351 1.8351 1.9823 1.9823 2.0331 2.0331 2.0981 2.0981 2.2506 2.2506 2.5224 2.5224 2.7518 2.7518 2.7822 2.7822 2.7945 2.7945 4.2382 4.2382 4.3581 4.3581 5.2791 5.2791 5.3187 5.3187 5.3351 5.3351 5.6457 5.6457 6.0333 6.0333 6.3989 6.3989 6.4649 6.4649 6.5074 6.5074 10.2623 10.2627 k = 0.2500 0.1883 0.8613 ( 18524 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3355 -7.3355 -7.0100 -7.0100 -6.9811 -6.9811 -6.8706 -6.8706 -3.6289 -3.6289 -3.4497 -3.4497 -2.3600 -2.3600 -2.0873 -2.0873 -2.0368 -2.0368 -1.9631 -1.9631 1.1435 1.1435 1.3971 1.3971 1.7285 1.7285 1.8351 1.8351 1.9823 1.9823 2.0331 2.0331 2.0981 2.0981 2.2506 2.2506 2.5224 2.5224 2.7518 2.7518 2.7822 2.7822 2.7945 2.7945 4.2382 4.2382 4.3581 4.3581 5.2791 5.2791 5.3187 5.3187 5.3351 5.3351 5.6457 5.6457 6.0333 6.0333 6.3989 6.3989 6.4649 6.4649 6.5074 6.5074 10.2624 10.2631 k = 0.2391 0.2027 0.8475 ( 18538 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3354 -7.3354 -7.0120 -7.0120 -6.9809 -6.9809 -6.8685 -6.8685 -3.6291 -3.6291 -3.4500 -3.4500 -2.3602 -2.3602 -2.0878 -2.0878 -2.0372 -2.0372 -1.9635 -1.9635 1.1436 1.1436 1.3924 1.3924 1.7302 1.7302 1.8353 1.8353 1.9835 1.9835 2.0359 2.0359 2.0984 2.0984 2.2510 2.2510 2.5241 2.5241 2.7518 2.7518 2.7814 2.7814 2.7955 2.7955 4.2382 4.2382 4.3572 4.3572 5.2795 5.2795 5.3192 5.3192 5.3353 5.3353 5.6453 5.6453 6.0353 6.0353 6.3992 6.3992 6.4653 6.4653 6.5064 6.5064 10.2509 10.2509 k = 0.2283 0.2171 0.8337 ( 18548 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3349 -7.3349 -7.0177 -7.0177 -6.9804 -6.9804 -6.8624 -6.8624 -3.6296 -3.6296 -3.4508 -3.4508 -2.3605 -2.3605 -2.0892 -2.0892 -2.0386 -2.0386 -1.9646 -1.9646 1.1441 1.1441 1.3787 1.3787 1.7350 1.7350 1.8361 1.8361 1.9868 1.9868 2.0438 2.0438 2.0994 2.0994 2.2522 2.2522 2.5290 2.5290 2.7519 2.7519 2.7795 2.7795 2.7978 2.7978 4.2382 4.2382 4.3548 4.3548 5.2807 5.2807 5.3210 5.3210 5.3360 5.3360 5.6444 5.6444 6.0411 6.0411 6.4000 6.4000 6.4664 6.4664 6.5037 6.5037 10.2069 10.2069 k = 0.2174 0.2316 0.8199 ( 18546 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3341 -7.3341 -7.0261 -7.0261 -6.9796 -6.9796 -6.8532 -6.8532 -3.6305 -3.6305 -3.4521 -3.4521 -2.3611 -2.3611 -2.0917 -2.0917 -2.0409 -2.0409 -1.9663 -1.9663 1.1448 1.1448 1.3578 1.3578 1.7417 1.7417 1.8373 1.8373 1.9924 1.9924 2.0558 2.0558 2.1021 2.1021 2.2541 2.2541 2.5371 2.5371 2.7521 2.7521 2.7772 2.7772 2.8008 2.8008 4.2381 4.2381 4.3508 4.3508 5.2826 5.2826 5.3239 5.3239 5.3370 5.3370 5.6428 5.6428 6.0506 6.0506 6.4014 6.4014 6.4682 6.4682 6.4993 6.4993 10.1491 10.1491 k = 0.2065 0.2460 0.8060 ( 18554 PWs) bands (ev): -14.7608 -14.7608 -14.7034 -14.7034 -7.3330 -7.3330 -7.0364 -7.0364 -6.9784 -6.9784 -6.8419 -6.8419 -3.6317 -3.6317 -3.4540 -3.4540 -2.3619 -2.3619 -2.0952 -2.0952 -2.0440 -2.0440 -1.9687 -1.9687 1.1459 1.1459 1.3313 1.3313 1.7490 1.7490 1.8387 1.8387 2.0000 2.0000 2.0690 2.0690 2.1087 2.1087 2.2569 2.2569 2.5482 2.5482 2.7522 2.7522 2.7749 2.7749 2.8042 2.8042 4.2380 4.2380 4.3453 4.3453 5.2852 5.2852 5.3280 5.3280 5.3386 5.3386 5.6407 5.6407 6.0636 6.0636 6.4033 6.4033 6.4706 6.4706 6.4933 6.4933 10.0865 10.0865 k = 0.1957 0.2604 0.7922 ( 18548 PWs) bands (ev): -14.7609 -14.7609 -14.7034 -14.7034 -7.3316 -7.3316 -7.0478 -7.0478 -6.9770 -6.9770 -6.8293 -6.8293 -3.6331 -3.6331 -3.4563 -3.4563 -2.3629 -2.3629 -2.0996 -2.0996 -2.0477 -2.0477 -1.9715 -1.9715 1.1472 1.1472 1.3011 1.3011 1.7562 1.7562 1.8401 1.8401 2.0096 2.0096 2.0784 2.0784 2.1234 2.1234 2.2604 2.2604 2.5620 2.5620 2.7521 2.7521 2.7728 2.7728 2.8078 2.8078 4.2380 4.2380 4.3385 4.3385 5.2885 5.2885 5.3330 5.3330 5.3406 5.3406 5.6379 5.6379 6.0797 6.0797 6.4056 6.4056 6.4731 6.4731 6.4868 6.4868 10.0225 10.0225 k = 0.1848 0.2749 0.7784 ( 18550 PWs) bands (ev): -14.7609 -14.7609 -14.7034 -14.7034 -7.3300 -7.3300 -7.0598 -7.0598 -6.9753 -6.9753 -6.8158 -6.8158 -3.6349 -3.6349 -3.4590 -3.4590 -2.3642 -2.3642 -2.1050 -2.1050 -2.0521 -2.0521 -1.9746 -1.9746 1.1487 1.1487 1.2685 1.2685 1.7627 1.7627 1.8413 1.8413 2.0209 2.0209 2.0832 2.0832 2.1462 2.1462 2.2648 2.2648 2.5782 2.5782 2.7519 2.7519 2.7711 2.7711 2.8116 2.8116 4.2379 4.2379 4.3306 4.3306 5.2924 5.2924 5.3388 5.3388 5.3435 5.3435 5.6347 5.6347 6.0984 6.0984 6.4084 6.4084 6.4714 6.4714 6.4840 6.4840 9.9587 9.9587 k = 0.1739 0.2893 0.7646 ( 18550 PWs) bands (ev): -14.7610 -14.7610 -14.7035 -14.7035 -7.3281 -7.3281 -7.0720 -7.0720 -6.9734 -6.9734 -6.8019 -6.8019 -3.6369 -3.6369 -3.4621 -3.4621 -2.3657 -2.3657 -2.1114 -2.1114 -2.0569 -2.0569 -1.9779 -1.9779 1.1505 1.1505 1.2346 1.2346 1.7685 1.7685 1.8423 1.8423 2.0334 2.0334 2.0860 2.0860 2.1740 2.1740 2.2699 2.2699 2.5965 2.5965 2.7512 2.7512 2.7699 2.7699 2.8156 2.8156 4.2377 4.2377 4.3216 4.3216 5.2968 5.2968 5.3440 5.3440 5.3486 5.3486 5.6309 5.6309 6.1193 6.1193 6.4115 6.4115 6.4628 6.4628 6.4883 6.4883 9.8961 9.8961 k = 0.1630 0.3037 0.7508 ( 18546 PWs) bands (ev): -14.7610 -14.7610 -14.7035 -14.7035 -7.3261 -7.3261 -7.0841 -7.0841 -6.9713 -6.9713 -6.7879 -6.7879 -3.6391 -3.6391 -3.4656 -3.4656 -2.3674 -2.3674 -2.1185 -2.1185 -2.0621 -2.0621 -1.9813 -1.9813 1.1524 1.1524 1.2003 1.2003 1.7735 1.7735 1.8430 1.8430 2.0465 2.0465 2.0885 2.0885 2.2041 2.2041 2.2760 2.2760 2.6164 2.6164 2.7502 2.7502 2.7691 2.7691 2.8198 2.8198 4.2376 4.2376 4.3118 4.3118 5.3017 5.3017 5.3480 5.3480 5.3562 5.3562 5.6268 5.6268 6.1417 6.1417 6.4146 6.4146 6.4520 6.4520 6.4955 6.4955 9.8355 9.8355 k = 0.1522 0.3182 0.7370 ( 18546 PWs) bands (ev): -14.7611 -14.7611 -14.7036 -14.7036 -7.3239 -7.3239 -7.0960 -7.0960 -6.9691 -6.9691 -6.7740 -6.7740 -3.6414 -3.6414 -3.4694 -3.4694 -2.3694 -2.3694 -2.1264 -2.1264 -2.0676 -2.0676 -1.9846 -1.9846 1.1541 1.1541 1.1666 1.1666 1.7778 1.7778 1.8434 1.8434 2.0586 2.0586 2.0926 2.0926 2.2351 2.2351 2.2832 2.2832 2.6376 2.6376 2.7489 2.7489 2.7688 2.7688 2.8241 2.8241 4.2374 4.2374 4.3015 4.3015 5.3070 5.3070 5.3521 5.3521 5.3652 5.3652 5.6222 5.6222 6.1648 6.1648 6.4171 6.4171 6.4407 6.4407 6.5047 6.5047 9.7774 9.7774 k = 0.1413 0.3326 0.7232 ( 18540 PWs) bands (ev): -14.7612 -14.7612 -14.7036 -14.7036 -7.3216 -7.3216 -7.1075 -7.1075 -6.9667 -6.9667 -6.7605 -6.7605 -3.6439 -3.6439 -3.4734 -3.4734 -2.3715 -2.3715 -2.1348 -2.1348 -2.0731 -2.0731 -1.9878 -1.9878 1.1324 1.1324 1.1572 1.1572 1.7815 1.7815 1.8435 1.8435 2.0676 2.0676 2.1002 2.1002 2.2651 2.2651 2.2924 2.2924 2.6596 2.6596 2.7474 2.7474 2.7689 2.7689 2.8286 2.8286 4.2373 4.2373 4.2907 4.2907 5.3124 5.3124 5.3567 5.3567 5.3751 5.3751 5.6174 5.6174 6.1881 6.1881 6.4164 6.4164 6.4321 6.4321 6.5160 6.5160 9.7221 9.7221 k = 0.1304 0.3470 0.7094 ( 18536 PWs) bands (ev): -14.7612 -14.7612 -14.7037 -14.7037 -7.3192 -7.3192 -7.1184 -7.1184 -6.9643 -6.9643 -6.7474 -6.7474 -3.6465 -3.6465 -3.4775 -3.4775 -2.3738 -2.3738 -2.1435 -2.1435 -2.0788 -2.0788 -1.9908 -1.9908 1.1004 1.1004 1.1594 1.1594 1.7848 1.7848 1.8433 1.8433 2.0727 2.0727 2.1117 2.1117 2.2886 2.2886 2.3085 2.3085 2.6819 2.6819 2.7458 2.7458 2.7691 2.7691 2.8331 2.8331 4.2371 4.2371 4.2797 4.2797 5.3178 5.3178 5.3618 5.3618 5.3856 5.3856 5.6123 5.6123 6.2106 6.2106 6.4078 6.4078 6.4310 6.4310 6.5295 6.5295 9.6702 9.6702 k = 0.1196 0.3615 0.6955 ( 18546 PWs) bands (ev): -14.7613 -14.7613 -14.7037 -14.7037 -7.3168 -7.3168 -7.1287 -7.1287 -6.9618 -6.9618 -6.7349 -6.7349 -3.6491 -3.6491 -3.4818 -3.4818 -2.3763 -2.3763 -2.1524 -2.1524 -2.0843 -2.0843 -1.9936 -1.9936 1.0698 1.0698 1.1617 1.1617 1.7876 1.7876 1.8429 1.8429 2.0752 2.0752 2.1254 2.1254 2.3018 2.3018 2.3345 2.3345 2.7039 2.7039 2.7446 2.7446 2.7695 2.7695 2.8377 2.8377 4.2369 4.2369 4.2688 4.2688 5.3232 5.3232 5.3674 5.3674 5.3966 5.3966 5.6072 5.6072 6.2319 6.2319 6.3953 6.3953 6.4335 6.4335 6.5453 6.5453 9.6218 9.6218 k = 0.1087 0.3759 0.6817 ( 18560 PWs) bands (ev): -14.7613 -14.7613 -14.7038 -14.7038 -7.3144 -7.3144 -7.1383 -7.1383 -6.9593 -6.9593 -6.7231 -6.7231 -3.6516 -3.6516 -3.4860 -3.4860 -2.3788 -2.3788 -2.1613 -2.1613 -2.0897 -2.0897 -1.9961 -1.9961 1.0411 1.0411 1.1640 1.1640 1.7900 1.7900 1.8424 1.8424 2.0765 2.0765 2.1395 2.1395 2.3122 2.3122 2.3625 2.3625 2.7240 2.7240 2.7447 2.7447 2.7702 2.7702 2.8423 2.8423 4.2366 4.2366 4.2581 4.2581 5.3283 5.3283 5.3735 5.3735 5.4079 5.4079 5.6020 5.6020 6.2512 6.2512 6.3821 6.3821 6.4366 6.4366 6.5632 6.5632 9.5772 9.5772 k = 0.0978 0.3903 0.6679 ( 18564 PWs) bands (ev): -14.7614 -14.7614 -14.7039 -14.7039 -7.3120 -7.3120 -7.1471 -7.1471 -6.9569 -6.9569 -6.7121 -6.7121 -3.6541 -3.6541 -3.4902 -3.4902 -2.3814 -2.3814 -2.1700 -2.1700 -2.0947 -2.0947 -1.9983 -1.9983 1.0144 1.0144 1.1663 1.1663 1.7921 1.7921 1.8417 1.8417 2.0773 2.0773 2.1530 2.1530 2.3223 2.3223 2.3895 2.3895 2.7353 2.7353 2.7521 2.7521 2.7717 2.7717 2.8469 2.8469 4.2361 4.2361 4.2480 4.2480 5.3332 5.3332 5.3798 5.3798 5.4193 5.4193 5.5968 5.5968 6.2684 6.2684 6.3691 6.3691 6.4397 6.4397 6.5829 6.5829 9.5367 9.5367 k = 0.0870 0.4048 0.6541 ( 18562 PWs) bands (ev): -14.7615 -14.7615 -14.7039 -14.7039 -7.3098 -7.3098 -7.1552 -7.1552 -6.9547 -6.9547 -6.7020 -6.7020 -3.6565 -3.6565 -3.4942 -3.4942 -2.3840 -2.3840 -2.1784 -2.1784 -2.0995 -2.0995 -2.0003 -2.0003 0.9900 0.9900 1.1686 1.1686 1.7940 1.7940 1.8410 1.8410 2.0779 2.0779 2.1653 2.1653 2.3324 2.3324 2.4145 2.4145 2.7364 2.7364 2.7638 2.7638 2.7780 2.7780 2.8513 2.8513 4.2344 4.2344 4.2397 4.2397 5.3377 5.3377 5.3864 5.3864 5.4305 5.4305 5.5919 5.5919 6.2832 6.2832 6.3567 6.3567 6.4427 6.4427 6.6037 6.6037 9.5004 9.5004 k = 0.0761 0.4192 0.6403 ( 18558 PWs) bands (ev): -14.7615 -14.7615 -14.7040 -14.7040 -7.3077 -7.3077 -7.1623 -7.1623 -6.9525 -6.9525 -6.6929 -6.6929 -3.6587 -3.6587 -3.4979 -3.4979 -2.3864 -2.3864 -2.1861 -2.1861 -2.1037 -2.1037 -2.0020 -2.0020 0.9681 0.9681 1.1706 1.1706 1.7956 1.7956 1.8403 1.8403 2.0783 2.0783 2.1764 2.1764 2.3423 2.3423 2.4374 2.4374 2.7357 2.7357 2.7674 2.7674 2.7928 2.7928 2.8555 2.8555 4.2277 4.2277 4.2371 4.2371 5.3419 5.3419 5.3928 5.3928 5.4412 5.4412 5.5872 5.5872 6.2955 6.2955 6.3453 6.3453 6.4454 6.4454 6.6249 6.6249 9.4684 9.4684 k = 0.0652 0.4336 0.6265 ( 18556 PWs) bands (ev): -14.7616 -14.7616 -14.7040 -14.7040 -7.3058 -7.3058 -7.1686 -7.1686 -6.9506 -6.9506 -6.6849 -6.6849 -3.6607 -3.6607 -3.5014 -3.5014 -2.3887 -2.3887 -2.1932 -2.1932 -2.1075 -2.1075 -2.0035 -2.0035 0.9488 0.9488 1.1725 1.1725 1.7970 1.7970 1.8396 1.8396 2.0786 2.0786 2.1858 2.1858 2.3518 2.3518 2.4577 2.4577 2.7348 2.7348 2.7683 2.7683 2.8088 2.8088 2.8594 2.8594 4.2198 4.2198 4.2366 4.2366 5.3456 5.3456 5.3989 5.3989 5.4513 5.4513 5.5829 5.5829 6.3051 6.3051 6.3355 6.3355 6.4478 6.4478 6.6456 6.6456 9.4408 9.4408 k = 0.0543 0.4481 0.6127 ( 18546 PWs) bands (ev): -14.7616 -14.7616 -14.7040 -14.7040 -7.3041 -7.3041 -7.1740 -7.1740 -6.9489 -6.9489 -6.6780 -6.6780 -3.6625 -3.6625 -3.5044 -3.5044 -2.3908 -2.3908 -2.1994 -2.1994 -2.1107 -2.1107 -2.0048 -2.0048 0.9322 0.9322 1.1742 1.1742 1.7981 1.7981 1.8389 1.8389 2.0788 2.0788 2.1938 2.1938 2.3604 2.3604 2.4752 2.4752 2.7339 2.7339 2.7687 2.7687 2.8233 2.8233 2.8628 2.8628 4.2127 4.2127 4.2363 4.2363 5.3489 5.3489 5.4045 5.4045 5.4604 5.4604 5.5792 5.5792 6.3109 6.3109 6.3289 6.3289 6.4499 6.4499 6.6649 6.6649 9.4175 9.4175 k = 0.0435 0.4625 0.5989 ( 18552 PWs) bands (ev): -14.7617 -14.7617 -14.7041 -14.7041 -7.3027 -7.3027 -7.1784 -7.1784 -6.9474 -6.9474 -6.6723 -6.6723 -3.6640 -3.6640 -3.5070 -3.5070 -2.3926 -2.3926 -2.2046 -2.2046 -2.1134 -2.1134 -2.0058 -2.0058 0.9186 0.9186 1.1756 1.1756 1.7991 1.7991 1.8383 1.8383 2.0790 2.0790 2.2002 2.2002 2.3680 2.3680 2.4897 2.4897 2.7332 2.7332 2.7690 2.7690 2.8357 2.8357 2.8658 2.8658 4.2067 4.2067 4.2362 4.2362 5.3517 5.3517 5.4093 5.4093 5.4683 5.4683 5.5759 5.5759 6.3103 6.3103 6.3282 6.3282 6.4516 6.4516 6.6821 6.6821 9.3987 9.3987 k = 0.0326 0.4769 0.5850 ( 18558 PWs) bands (ev): -14.7617 -14.7617 -14.7041 -14.7041 -7.3016 -7.3016 -7.1819 -7.1819 -6.9463 -6.9463 -6.6678 -6.6678 -3.6652 -3.6652 -3.5091 -3.5091 -2.3941 -2.3941 -2.2088 -2.2088 -2.1155 -2.1155 -2.0066 -2.0066 0.9079 0.9079 1.1768 1.1768 1.7998 1.7998 1.8379 1.8379 2.0792 2.0792 2.2051 2.2051 2.3743 2.3743 2.5012 2.5012 2.7326 2.7326 2.7691 2.7691 2.8456 2.8456 2.8682 2.8682 4.2019 4.2019 4.2360 4.2360 5.3539 5.3539 5.4132 5.4132 5.4748 5.4748 5.5733 5.5733 6.3061 6.3061 6.3311 6.3311 6.4529 6.4529 6.6962 6.6962 9.3841 9.3841 k = 0.0217 0.4914 0.5712 ( 18548 PWs) bands (ev): -14.7617 -14.7617 -14.7041 -14.7041 -7.3008 -7.3008 -7.1844 -7.1844 -6.9454 -6.9454 -6.6646 -6.6646 -3.6661 -3.6661 -3.5106 -3.5106 -2.3952 -2.3952 -2.2118 -2.2118 -2.1170 -2.1170 -2.0071 -2.0071 0.9002 0.9002 1.1776 1.1776 1.8003 1.8003 1.8375 1.8375 2.0793 2.0793 2.2086 2.2086 2.3789 2.3789 2.5095 2.5095 2.7322 2.7322 2.7691 2.7691 2.8529 2.8529 2.8699 2.8699 4.1984 4.1984 4.2359 4.2359 5.3555 5.3555 5.4161 5.4161 5.4796 5.4796 5.5715 5.5715 6.3022 6.3022 6.3339 6.3339 6.4539 6.4539 6.7068 6.7068 9.3738 9.3738 k = 0.0109 0.5058 0.5574 ( 18552 PWs) bands (ev): -14.7617 -14.7617 -14.7041 -14.7041 -7.3003 -7.3003 -7.1859 -7.1859 -6.9449 -6.9449 -6.6626 -6.6626 -3.6666 -3.6666 -3.5116 -3.5116 -2.3958 -2.3958 -2.2137 -2.2137 -2.1179 -2.1179 -2.0075 -2.0075 0.8955 0.8955 1.1781 1.1781 1.8006 1.8006 1.8373 1.8373 2.0794 2.0794 2.2106 2.2106 2.3817 2.3817 2.5145 2.5145 2.7319 2.7319 2.7692 2.7692 2.8573 2.8573 2.8710 2.8710 4.1963 4.1963 4.2359 4.2359 5.3565 5.3565 5.4179 5.4179 5.4825 5.4825 5.5703 5.5703 6.2997 6.2997 6.3357 6.3357 6.4545 6.4545 6.7133 6.7133 9.3677 9.3677 k = 0.0000 0.5202 0.5436 ( 18566 PWs) bands (ev): -14.7617 -14.7617 -14.7041 -14.7041 -7.3001 -7.3001 -7.1864 -7.1864 -6.9447 -6.9447 -6.6620 -6.6620 -3.6668 -3.6668 -3.5119 -3.5119 -2.3961 -2.3961 -2.2143 -2.2143 -2.1182 -2.1182 -2.0076 -2.0076 0.8940 0.8940 1.1783 1.1783 1.8007 1.8007 1.8372 1.8372 2.0794 2.0794 2.2113 2.2113 2.3827 2.3827 2.5162 2.5162 2.7318 2.7318 2.7692 2.7692 2.8588 2.8588 2.8713 2.8713 4.1956 4.1956 4.2359 4.2359 5.3569 5.3569 5.4185 5.4185 5.4835 5.4835 5.5699 5.5699 6.2988 6.2988 6.3363 6.3363 6.4547 6.4547 6.7155 6.7155 9.3656 9.3656 k = 0.0000 0.5202 0.5436 ( 18566 PWs) bands (ev): -14.7617 -14.7617 -14.7041 -14.7041 -7.3001 -7.3001 -7.1864 -7.1864 -6.9447 -6.9447 -6.6620 -6.6620 -3.6668 -3.6668 -3.5119 -3.5119 -2.3961 -2.3961 -2.2143 -2.2143 -2.1182 -2.1182 -2.0076 -2.0076 0.8940 0.8940 1.1783 1.1783 1.8007 1.8007 1.8372 1.8372 2.0794 2.0794 2.2113 2.2113 2.3827 2.3827 2.5162 2.5162 2.7318 2.7318 2.7692 2.7692 2.8588 2.8588 2.8713 2.8713 4.1956 4.1956 4.2359 4.2359 5.3569 5.3569 5.4185 5.4185 5.4835 5.4835 5.5699 5.5699 6.2988 6.2988 6.3363 6.3363 6.4547 6.4547 6.7155 6.7155 9.3656 9.3656 k = 0.0202 0.5282 0.5360 ( 18562 PWs) bands (ev): -14.7617 -14.7617 -14.7042 -14.7042 -7.3003 -7.3003 -7.1862 -7.1862 -6.9448 -6.9448 -6.6620 -6.6620 -3.6665 -3.6665 -3.5120 -3.5120 -2.3956 -2.3956 -2.2144 -2.2144 -2.1182 -2.1182 -2.0074 -2.0074 0.8928 0.8928 1.1773 1.1773 1.7997 1.7997 1.8401 1.8401 2.0791 2.0791 2.2111 2.2111 2.3822 2.3822 2.5166 2.5166 2.7322 2.7322 2.7682 2.7682 2.8577 2.8577 2.8736 2.8736 4.1950 4.1950 4.2363 4.2363 5.3561 5.3561 5.4190 5.4190 5.4826 5.4826 5.5709 5.5709 6.2951 6.2951 6.3406 6.3406 6.4546 6.4546 6.7157 6.7157 9.3658 9.3658 k = 0.0403 0.5361 0.5284 ( 18553 PWs) bands (ev): -14.7616 -14.7616 -14.7043 -14.7043 -7.3010 -7.3010 -7.1855 -7.1855 -6.9450 -6.9450 -6.6621 -6.6621 -3.6655 -3.6655 -3.5125 -3.5125 -2.3944 -2.3944 -2.2148 -2.2148 -2.1183 -2.1183 -2.0068 -2.0068 0.8892 0.8892 1.1745 1.1745 1.7975 1.7975 1.8478 1.8478 2.0783 2.0783 2.2106 2.2106 2.3810 2.3810 2.5178 2.5178 2.7334 2.7334 2.7654 2.7654 2.8560 2.8560 2.8789 2.8789 4.1934 4.1934 4.2377 4.2377 5.3538 5.3538 5.4204 5.4204 5.4799 5.4799 5.5739 5.5739 6.2870 6.2870 6.3507 6.3507 6.4543 6.4543 6.7160 6.7160 9.3663 9.3663 k = 0.0605 0.5440 0.5209 ( 18554 PWs) bands (ev): -14.7614 -14.7614 -14.7045 -14.7045 -7.3022 -7.3022 -7.1843 -7.1843 -6.9453 -6.9453 -6.6622 -6.6622 -3.6639 -3.6639 -3.5133 -3.5133 -2.3923 -2.3923 -2.2155 -2.2155 -2.1184 -2.1184 -2.0058 -2.0058 0.8834 0.8834 1.1700 1.1700 1.7959 1.7959 1.8584 1.8584 2.0770 2.0770 2.2098 2.2098 2.3789 2.3789 2.5198 2.5198 2.7354 2.7354 2.7608 2.7608 2.8551 2.8551 2.8856 2.8856 4.1909 4.1909 4.2398 4.2398 5.3501 5.3501 5.4228 5.4228 5.4757 5.4757 5.5784 5.5784 6.2778 6.2778 6.3629 6.3629 6.4540 6.4540 6.7165 6.7165 9.3671 9.3671 k = 0.0806 0.5519 0.5133 ( 18554 PWs) bands (ev): -14.7612 -14.7612 -14.7048 -14.7048 -7.3038 -7.3038 -7.1826 -7.1826 -6.9458 -6.9458 -6.6623 -6.6623 -3.6617 -3.6617 -3.5144 -3.5144 -2.3895 -2.3895 -2.2163 -2.2163 -2.1185 -2.1185 -2.0045 -2.0045 0.8756 0.8756 1.1637 1.1637 1.7955 1.7955 1.8708 1.8708 2.0750 2.0750 2.2087 2.2087 2.3762 2.3762 2.5224 2.5224 2.7380 2.7380 2.7546 2.7546 2.8556 2.8556 2.8931 2.8931 4.1878 4.1878 4.2425 4.2425 5.3450 5.3450 5.4261 5.4261 5.4705 5.4705 5.5842 5.5842 6.2688 6.2688 6.3758 6.3758 6.4536 6.4536 6.7173 6.7173 9.3683 9.3683 k = 0.1008 0.5598 0.5057 ( 18550 PWs) bands (ev): -14.7609 -14.7609 -14.7051 -14.7051 -7.3059 -7.3059 -7.1805 -7.1805 -6.9463 -6.9463 -6.6625 -6.6625 -3.6590 -3.6590 -3.5158 -3.5158 -2.3860 -2.3860 -2.2173 -2.2173 -2.1186 -2.1186 -2.0030 -2.0030 0.8662 0.8662 1.1561 1.1561 1.7966 1.7966 1.8843 1.8843 2.0724 2.0724 2.2075 2.2075 2.3728 2.3728 2.5255 2.5255 2.7409 2.7409 2.7473 2.7473 2.8574 2.8574 2.9014 2.9014 4.1841 4.1841 4.2456 4.2456 5.3387 5.3387 5.4299 5.4299 5.4644 5.4644 5.5909 5.5909 6.2603 6.2603 6.3885 6.3885 6.4536 6.4536 6.7181 6.7181 9.3699 9.3699 k = 0.1209 0.5678 0.4981 ( 18554 PWs) bands (ev): -14.7605 -14.7605 -14.7055 -14.7055 -7.3086 -7.3086 -7.1778 -7.1778 -6.9469 -6.9469 -6.6627 -6.6627 -3.6558 -3.6558 -3.5174 -3.5174 -2.3819 -2.3819 -2.2183 -2.2183 -2.1187 -2.1187 -2.0013 -2.0013 0.8556 0.8556 1.1473 1.1473 1.7993 1.7993 1.8984 1.8984 2.0692 2.0692 2.2062 2.2062 2.3690 2.3690 2.5291 2.5291 2.7369 2.7369 2.7463 2.7463 2.8606 2.8606 2.9102 2.9102 4.1800 4.1800 4.2490 4.2490 5.3313 5.3313 5.4342 5.4342 5.4580 5.4580 5.5983 5.5983 6.2527 6.2527 6.4000 6.4000 6.4545 6.4545 6.7190 6.7190 9.3719 9.3719 k = 0.1411 0.5757 0.4905 ( 18567 PWs) bands (ev): -14.7601 -14.7601 -14.7060 -14.7060 -7.3118 -7.3118 -7.1747 -7.1747 -6.9474 -6.9474 -6.6630 -6.6630 -3.6521 -3.6521 -3.5193 -3.5193 -2.3773 -2.3773 -2.2194 -2.2194 -2.1188 -2.1188 -1.9995 -1.9995 0.8440 0.8440 1.1376 1.1376 1.8034 1.8034 1.9126 1.9126 2.0652 2.0652 2.2049 2.2049 2.3647 2.3647 2.5330 2.5330 2.7270 2.7270 2.7507 2.7507 2.8648 2.8648 2.9197 2.9197 4.1755 4.1755 4.2526 4.2526 5.3230 5.3230 5.4379 5.4379 5.4521 5.4521 5.6062 5.6062 6.2458 6.2458 6.4090 6.4090 6.4572 6.4572 6.7199 6.7199 9.3743 9.3743 k = 0.1612 0.5836 0.4830 ( 18575 PWs) bands (ev): -14.7597 -14.7597 -14.7065 -14.7065 -7.3155 -7.3155 -7.1711 -7.1711 -6.9480 -6.9480 -6.6633 -6.6633 -3.6482 -3.6482 -3.5213 -3.5213 -2.3724 -2.3724 -2.2205 -2.2205 -2.1187 -2.1187 -1.9977 -1.9977 0.8319 0.8319 1.1273 1.1273 1.8087 1.8087 1.9267 1.9267 2.0605 2.0605 2.2038 2.2038 2.3601 2.3601 2.5370 2.5370 2.7160 2.7160 2.7558 2.7558 2.8699 2.8699 2.9297 2.9297 4.1708 4.1708 4.2564 4.2564 5.3140 5.3140 5.4380 5.4380 5.4499 5.4499 5.6144 5.6144 6.2398 6.2398 6.4143 6.4143 6.4625 6.4625 6.7208 6.7208 9.3772 9.3772 k = 0.1814 0.5915 0.4754 ( 18570 PWs) bands (ev): -14.7592 -14.7592 -14.7071 -14.7071 -7.3198 -7.3198 -7.1669 -7.1669 -6.9485 -6.9485 -6.6636 -6.6636 -3.6440 -3.6440 -3.5234 -3.5234 -2.3672 -2.3672 -2.2216 -2.2216 -2.1184 -2.1184 -1.9960 -1.9960 0.8197 0.8197 1.1168 1.1168 1.8149 1.8149 1.9402 1.9402 2.0549 2.0549 2.2030 2.2030 2.3551 2.3551 2.5412 2.5412 2.7042 2.7042 2.7614 2.7614 2.8758 2.8758 2.9405 2.9405 4.1659 4.1659 4.2603 4.2603 5.3042 5.3042 5.4328 5.4328 5.4529 5.4529 5.6227 5.6227 6.2345 6.2345 6.4159 6.4159 6.4705 6.4705 6.7216 6.7216 9.3807 9.3807 k = 0.2015 0.5995 0.4678 ( 18575 PWs) bands (ev): -14.7587 -14.7587 -14.7077 -14.7077 -7.3246 -7.3246 -7.1623 -7.1623 -6.9489 -6.9489 -6.6639 -6.6639 -3.6398 -3.6398 -3.5256 -3.5256 -2.3619 -2.3619 -2.2226 -2.2226 -2.1178 -2.1178 -1.9945 -1.9945 0.8076 0.8076 1.1064 1.1064 1.8216 1.8216 1.9529 1.9529 2.0486 2.0486 2.2026 2.2026 2.3500 2.3500 2.5453 2.5453 2.6917 2.6917 2.7674 2.7674 2.8822 2.8822 2.9521 2.9521 4.1607 4.1607 4.2644 4.2644 5.2941 5.2941 5.4260 5.4260 5.4574 5.4574 5.6310 5.6310 6.2298 6.2298 6.4146 6.4146 6.4798 6.4798 6.7222 6.7222 9.3850 9.3850 k = 0.2217 0.6074 0.4602 ( 18584 PWs) bands (ev): -14.7582 -14.7582 -14.7083 -14.7083 -7.3300 -7.3300 -7.1571 -7.1571 -6.9491 -6.9491 -6.6643 -6.6643 -3.6355 -3.6355 -3.5278 -3.5278 -2.3567 -2.3567 -2.2236 -2.2236 -2.1169 -2.1169 -1.9933 -1.9933 0.7960 0.7960 1.0964 1.0964 1.8286 1.8286 1.9645 1.9645 2.0416 2.0416 2.2027 2.2027 2.3446 2.3446 2.5494 2.5494 2.6787 2.6787 2.7736 2.7736 2.8891 2.8891 2.9646 2.9646 4.1554 4.1554 4.2686 4.2686 5.2835 5.2835 5.4191 5.4191 5.4617 5.4617 5.6393 5.6393 6.2256 6.2256 6.4113 6.4113 6.4894 6.4894 6.7227 6.7227 9.3900 9.3900 k = 0.2418 0.6153 0.4526 ( 18599 PWs) bands (ev): -14.7578 -14.7578 -14.7089 -14.7089 -7.3359 -7.3359 -7.1515 -7.1515 -6.9493 -6.9493 -6.6647 -6.6647 -3.6314 -3.6314 -3.5298 -3.5298 -2.3518 -2.3518 -2.2245 -2.2245 -2.1155 -2.1155 -1.9923 -1.9923 0.7851 0.7851 1.0871 1.0871 1.8356 1.8356 1.9747 1.9747 2.0343 2.0343 2.2034 2.2034 2.3391 2.3391 2.5533 2.5533 2.6654 2.6654 2.7800 2.7800 2.8961 2.8961 2.9781 2.9781 4.1499 4.1499 4.2730 4.2730 5.2727 5.2727 5.4123 5.4123 5.4656 5.4656 5.6473 5.6473 6.2218 6.2218 6.4067 6.4067 6.4984 6.4984 6.7231 6.7231 9.3960 9.3960 k = 0.2620 0.6232 0.4450 ( 18600 PWs) bands (ev): -14.7573 -14.7573 -14.7095 -14.7095 -7.3422 -7.3422 -7.1453 -7.1453 -6.9493 -6.9493 -6.6650 -6.6650 -3.6276 -3.6276 -3.5316 -3.5316 -2.3473 -2.3473 -2.2253 -2.2253 -2.1136 -2.1136 -1.9917 -1.9917 0.7751 0.7751 1.0788 1.0788 1.8424 1.8424 1.9826 1.9826 2.0273 2.0273 2.2047 2.2047 2.3334 2.3334 2.5570 2.5570 2.6518 2.6518 2.7865 2.7865 2.9034 2.9034 2.9927 2.9927 4.1443 4.1443 4.2775 4.2775 5.2619 5.2619 5.4058 5.4058 5.4686 5.4686 5.6551 5.6551 6.2181 6.2181 6.4011 6.4011 6.5065 6.5065 6.7232 6.7232 9.4030 9.4030 k = 0.2821 0.6311 0.4375 ( 18588 PWs) bands (ev): -14.7569 -14.7569 -14.7100 -14.7100 -7.3491 -7.3491 -7.1387 -7.1387 -6.9491 -6.9491 -6.6654 -6.6654 -3.6242 -3.6242 -3.5331 -3.5331 -2.3432 -2.3432 -2.2262 -2.2262 -2.1110 -2.1110 -1.9915 -1.9915 0.7662 0.7662 1.0719 1.0719 1.8485 1.8485 1.9865 1.9865 2.0224 2.0224 2.2067 2.2067 2.3277 2.3277 2.5604 2.5604 2.6381 2.6381 2.7929 2.7929 2.9106 2.9106 3.0084 3.0084 4.1385 4.1385 4.2821 4.2821 5.2510 5.2510 5.3997 5.3997 5.4706 5.4706 5.6624 5.6624 6.2143 6.2143 6.3947 6.3947 6.5133 6.5133 6.7232 6.7232 9.4113 9.4113 k = 0.3023 0.6391 0.4299 ( 18590 PWs) bands (ev): -14.7566 -14.7566 -14.7105 -14.7105 -7.3564 -7.3564 -7.1316 -7.1316 -6.9488 -6.9488 -6.6658 -6.6658 -3.6215 -3.6215 -3.5341 -3.5341 -2.3398 -2.3398 -2.2271 -2.2271 -2.1078 -2.1078 -1.9918 -1.9918 0.7583 0.7583 1.0664 1.0664 1.8540 1.8540 1.9843 1.9843 2.0219 2.0219 2.2092 2.2092 2.3218 2.3218 2.5632 2.5632 2.6245 2.6245 2.7991 2.7991 2.9179 2.9179 3.0252 3.0252 4.1327 4.1327 4.2868 4.2868 5.2403 5.2403 5.3940 5.3940 5.4713 5.4713 5.6694 5.6694 6.2103 6.2103 6.3875 6.3875 6.5187 6.5187 6.7230 6.7230 9.4209 9.4209 k = 0.3023 0.6391 0.4299 ( 18590 PWs) bands (ev): -14.7566 -14.7566 -14.7105 -14.7105 -7.3564 -7.3564 -7.1316 -7.1316 -6.9488 -6.9488 -6.6658 -6.6658 -3.6215 -3.6215 -3.5341 -3.5341 -2.3398 -2.3398 -2.2271 -2.2271 -2.1078 -2.1078 -1.9918 -1.9918 0.7583 0.7583 1.0664 1.0664 1.8540 1.8540 1.9843 1.9843 2.0219 2.0219 2.2092 2.2092 2.3218 2.3218 2.5632 2.5632 2.6245 2.6245 2.7991 2.7991 2.9179 2.9179 3.0252 3.0252 4.1327 4.1327 4.2868 4.2868 5.2403 5.2403 5.3940 5.3940 5.4713 5.4713 5.6694 5.6694 6.2103 6.2103 6.3875 6.3875 6.5187 6.5187 6.7230 6.7230 9.4209 9.4209 k = 0.3109 0.6277 0.4112 ( 18588 PWs) bands (ev): -14.7559 -14.7559 -14.7116 -14.7116 -7.3751 -7.3751 -7.1130 -7.1130 -6.9479 -6.9479 -6.6668 -6.6668 -3.6156 -3.6156 -3.5359 -3.5359 -2.3322 -2.3322 -2.2294 -2.2294 -2.0991 -2.0991 -1.9927 -1.9927 0.7409 0.7409 1.0563 1.0563 1.8654 1.8654 1.9660 1.9660 2.0307 2.0307 2.2166 2.2166 2.3070 2.3070 2.5677 2.5677 2.5937 2.5937 2.8149 2.8149 2.9366 2.9366 3.0689 3.0689 4.1181 4.1181 4.2986 4.2986 5.2135 5.2135 5.3805 5.3805 5.4702 5.4702 5.6854 5.6854 6.1990 6.1990 6.3678 6.3678 6.5285 6.5285 6.7219 6.7219 9.4435 9.4435 k = 0.3195 0.6162 0.3925 ( 18584 PWs) bands (ev): -14.7553 -14.7553 -14.7127 -14.7127 -7.3942 -7.3942 -7.0937 -7.0937 -6.9469 -6.9469 -6.6679 -6.6679 -3.6097 -3.6097 -3.5376 -3.5376 -2.3249 -2.3249 -2.2315 -2.2315 -2.0904 -2.0904 -1.9934 -1.9934 0.7245 0.7245 1.0488 1.0488 1.8747 1.8747 1.9437 1.9437 2.0422 2.0422 2.2243 2.2243 2.2921 2.2921 2.5538 2.5538 2.5820 2.5820 2.8318 2.8318 2.9570 2.9570 3.1140 3.1140 4.1035 4.1035 4.3101 4.3101 5.1855 5.1855 5.3670 5.3670 5.4663 5.4663 5.7005 5.7005 6.1858 6.1858 6.3455 6.3455 6.5348 6.5348 6.7200 6.7200 9.4427 9.4427 k = 0.3281 0.6048 0.3738 ( 18566 PWs) bands (ev): -14.7547 -14.7547 -14.7138 -14.7138 -7.4133 -7.4133 -7.0740 -7.0740 -6.9458 -6.9458 -6.6691 -6.6691 -3.6040 -3.6040 -3.5392 -3.5392 -2.3180 -2.3180 -2.2333 -2.2333 -2.0819 -2.0819 -1.9939 -1.9939 0.7091 0.7091 1.0442 1.0442 1.8807 1.8807 1.9215 1.9215 2.0537 2.0537 2.2319 2.2319 2.2774 2.2774 2.5252 2.5252 2.5861 2.5861 2.8495 2.8495 2.9787 2.9787 3.1604 3.1604 4.0890 4.0890 4.3213 4.3213 5.1565 5.1565 5.3536 5.3536 5.4599 5.4599 5.7147 5.7147 6.1707 6.1707 6.3208 6.3208 6.5374 6.5374 6.7175 6.7175 9.4047 9.4047 k = 0.3367 0.5934 0.3551 ( 18578 PWs) bands (ev): -14.7541 -14.7541 -14.7149 -14.7149 -7.4322 -7.4322 -7.0541 -7.0541 -6.9447 -6.9447 -6.6703 -6.6703 -3.5984 -3.5984 -3.5408 -3.5408 -2.3117 -2.3117 -2.2347 -2.2347 -2.0737 -2.0737 -1.9942 -1.9942 0.6949 0.6949 1.0425 1.0425 1.8782 1.8782 1.9053 1.9053 2.0646 2.0646 2.2383 2.2383 2.2641 2.2641 2.4963 2.4963 2.5913 2.5913 2.8681 2.8681 3.0013 3.0013 3.2082 3.2082 4.0746 4.0746 4.3321 4.3321 5.1262 5.1262 5.3404 5.3404 5.4510 5.4510 5.7279 5.7279 6.1538 6.1538 6.2940 6.2940 6.5363 6.5363 6.7143 6.7143 9.3675 9.3675 k = 0.3453 0.5820 0.3364 ( 18572 PWs) bands (ev): -14.7536 -14.7536 -14.7160 -14.7160 -7.4507 -7.4507 -7.0343 -7.0343 -6.9436 -6.9436 -6.6716 -6.6716 -3.5930 -3.5930 -3.5423 -3.5423 -2.3062 -2.3062 -2.2355 -2.2355 -2.0657 -2.0657 -1.9942 -1.9942 0.6819 0.6819 1.0439 1.0439 1.8614 1.8614 1.9012 1.9012 2.0747 2.0747 2.2380 2.2380 2.2578 2.2578 2.4686 2.4686 2.5964 2.5964 2.8872 2.8872 3.0247 3.0247 3.2571 3.2571 4.0603 4.0603 4.3424 4.3424 5.0946 5.0946 5.3275 5.3275 5.4398 5.4398 5.7404 5.7404 6.1354 6.1354 6.2654 6.2654 6.5316 6.5316 6.7104 6.7104 9.3311 9.3311 k = 0.3539 0.5706 0.3177 ( 18586 PWs) bands (ev): -14.7532 -14.7532 -14.7171 -14.7171 -7.4686 -7.4686 -7.0147 -7.0147 -6.9424 -6.9424 -6.6729 -6.6729 -3.5879 -3.5879 -3.5438 -3.5438 -2.3017 -2.3017 -2.2356 -2.2356 -2.0581 -2.0581 -1.9940 -1.9940 0.6701 0.6701 1.0484 1.0484 1.8390 1.8390 1.9004 1.9004 2.0839 2.0839 2.2272 2.2272 2.2625 2.2625 2.4422 2.4422 2.6014 2.6014 2.9068 2.9068 3.0484 3.0484 3.3071 3.3071 4.0462 4.0462 4.3520 4.3520 5.0618 5.0618 5.3149 5.3149 5.4267 5.4267 5.7520 5.7520 6.1155 6.1155 6.2353 6.2353 6.5236 6.5236 6.7060 6.7060 9.2952 9.2952 k = 0.3625 0.5592 0.2991 ( 18582 PWs) bands (ev): -14.7528 -14.7528 -14.7182 -14.7182 -7.4860 -7.4860 -6.9954 -6.9954 -6.9412 -6.9412 -6.6743 -6.6743 -3.5830 -3.5830 -3.5451 -3.5451 -2.2984 -2.2984 -2.2349 -2.2349 -2.0510 -2.0510 -1.9934 -1.9934 0.6595 0.6595 1.0560 1.0560 1.8159 1.8159 1.8984 1.8984 2.0923 2.0923 2.2139 2.2139 2.2701 2.2701 2.4173 2.4173 2.6062 2.6062 2.9266 2.9266 3.0724 3.0724 3.3581 3.3581 4.0324 4.0324 4.3609 4.3609 5.0276 5.0276 5.3028 5.3028 5.4118 5.4118 5.7627 5.7627 6.0945 6.0945 6.2040 6.2040 6.5127 6.5127 6.7010 6.7010 9.2598 9.2598 k = 0.3711 0.5478 0.2804 ( 18570 PWs) bands (ev): -14.7524 -14.7524 -14.7192 -14.7192 -7.5026 -7.5026 -6.9766 -6.9766 -6.9400 -6.9400 -6.6756 -6.6756 -3.5786 -3.5786 -3.5463 -3.5463 -2.2964 -2.2964 -2.2332 -2.2332 -2.0444 -2.0444 -1.9925 -1.9925 0.6502 0.6502 1.0667 1.0667 1.7930 1.7930 1.8943 1.8943 2.0998 2.0998 2.2005 2.2005 2.2782 2.2782 2.3939 2.3939 2.6107 2.6107 2.9464 2.9464 3.0962 3.0962 3.4101 3.4101 4.0189 4.0189 4.3689 4.3689 4.9921 4.9921 5.2911 5.2911 5.3956 5.3956 5.7727 5.7727 6.0726 6.0726 6.1721 6.1721 6.4993 6.4993 6.6956 6.6956 9.2249 9.2249 k = 0.3797 0.5363 0.2617 ( 18580 PWs) bands (ev): -14.7521 -14.7521 -14.7202 -14.7202 -7.5185 -7.5185 -6.9584 -6.9584 -6.9388 -6.9388 -6.6770 -6.6770 -3.5746 -3.5746 -3.5473 -3.5473 -2.2956 -2.2956 -2.2307 -2.2307 -2.0385 -2.0385 -1.9911 -1.9911 0.6419 0.6419 1.0804 1.0804 1.7708 1.7708 1.8878 1.8878 2.1066 2.1066 2.1874 2.1874 2.2864 2.2864 2.3722 2.3722 2.6150 2.6150 2.9661 2.9661 3.1198 3.1198 3.4630 3.4630 4.0057 4.0057 4.3761 4.3761 4.9552 4.9552 5.2799 5.2799 5.3783 5.3783 5.7819 5.7819 6.0501 6.0501 6.1399 6.1399 6.4838 6.4838 6.6897 6.6897 9.1906 9.1906 k = 0.3883 0.5249 0.2430 ( 18576 PWs) bands (ev): -14.7518 -14.7518 -14.7211 -14.7211 -7.5335 -7.5335 -6.9417 -6.9417 -6.9366 -6.9366 -6.6783 -6.6783 -3.5713 -3.5713 -3.5479 -3.5479 -2.2960 -2.2960 -2.2274 -2.2274 -2.0333 -2.0333 -1.9894 -1.9894 0.6348 0.6348 1.0968 1.0968 1.7495 1.7495 1.8789 1.8789 2.1126 2.1126 2.1750 2.1750 2.2941 2.2941 2.3526 2.3526 2.6191 2.6191 2.9854 2.9854 3.1428 3.1428 3.5166 3.5166 3.9929 3.9929 4.3823 4.3823 4.9170 4.9170 5.2692 5.2692 5.3604 5.3604 5.7904 5.7904 6.0273 6.0273 6.1081 6.1081 6.4669 6.4669 6.6836 6.6836 9.1571 9.1571 k = 0.3969 0.5135 0.2243 ( 18576 PWs) bands (ev): -14.7516 -14.7516 -14.7220 -14.7220 -7.5476 -7.5476 -6.9371 -6.9371 -6.9233 -6.9233 -6.6796 -6.6796 -3.5688 -3.5688 -3.5479 -3.5479 -2.2972 -2.2972 -2.2238 -2.2238 -2.0289 -2.0289 -1.9871 -1.9871 0.6287 0.6287 1.1159 1.1159 1.7292 1.7292 1.8675 1.8675 2.1179 2.1179 2.1632 2.1632 2.3001 2.3001 2.3361 2.3361 2.6229 2.6229 3.0042 3.0042 3.1652 3.1652 3.5709 3.5709 3.9805 3.9805 4.3875 4.3875 4.8774 4.8774 5.2589 5.2589 5.3423 5.3423 5.7982 5.7982 6.0042 6.0042 6.0772 6.0772 6.4489 6.4489 6.6773 6.6773 9.1246 9.1246 k = 0.4054 0.5021 0.2056 ( 18572 PWs) bands (ev): -14.7513 -14.7513 -14.7229 -14.7229 -7.5608 -7.5608 -6.9359 -6.9359 -6.9076 -6.9076 -6.6808 -6.6808 -3.5671 -3.5671 -3.5473 -3.5473 -2.2990 -2.2990 -2.2199 -2.2199 -2.0253 -2.0253 -1.9844 -1.9844 0.6236 0.6236 1.1375 1.1375 1.7101 1.7101 1.8538 1.8538 2.1225 2.1225 2.1522 2.1522 2.3000 2.3000 2.3271 2.3271 2.6265 2.6265 3.0224 3.0224 3.1866 3.1866 3.6257 3.6257 3.9687 3.9687 4.3917 4.3917 4.8365 4.8365 5.2492 5.2492 5.3243 5.3243 5.8052 5.8052 5.9810 5.9810 6.0479 6.0479 6.4304 6.4304 6.6709 6.6709 9.0935 9.0935 k = 0.4140 0.4907 0.1869 ( 18562 PWs) bands (ev): -14.7511 -14.7511 -14.7237 -14.7237 -7.5730 -7.5730 -6.9348 -6.9348 -6.8927 -6.8927 -6.6820 -6.6820 -3.5664 -3.5664 -3.5461 -3.5461 -2.3012 -2.3012 -2.2159 -2.2159 -2.0223 -2.0223 -1.9815 -1.9815 0.6194 0.6194 1.1611 1.1611 1.6923 1.6923 1.8379 1.8379 2.1264 2.1264 2.1422 2.1422 2.2904 2.2904 2.3289 2.3289 2.6299 2.6299 3.0396 3.0396 3.2069 3.2069 3.6809 3.6809 3.9576 3.9576 4.3949 4.3949 4.7944 4.7944 5.2399 5.2399 5.3068 5.3068 5.8116 5.8116 5.9577 5.9577 6.0209 6.0209 6.4119 6.4119 6.6645 6.6645 9.0639 9.0639 k = 0.4226 0.4793 0.1682 ( 18554 PWs) bands (ev): -14.7510 -14.7510 -14.7244 -14.7244 -7.5841 -7.5841 -6.9339 -6.9339 -6.8788 -6.8788 -6.6832 -6.6832 -3.5664 -3.5664 -3.5444 -3.5444 -2.3036 -2.3036 -2.2121 -2.2121 -2.0200 -2.0200 -1.9783 -1.9783 0.6160 0.6160 1.1866 1.1866 1.6759 1.6759 1.8200 1.8200 2.1281 2.1281 2.1346 2.1346 2.2778 2.2778 2.3348 2.3348 2.6330 2.6330 3.0558 3.0558 3.2259 3.2259 3.7362 3.7362 3.9471 3.9471 4.3972 4.3972 4.7510 4.7510 5.2310 5.2310 5.2904 5.2904 5.8173 5.8173 5.9346 5.9346 5.9966 5.9966 6.3939 6.3939 6.6583 6.6583 9.0363 9.0363 k = 0.4312 0.4679 0.1495 ( 18558 PWs) bands (ev): -14.7508 -14.7508 -14.7251 -14.7251 -7.5941 -7.5941 -6.9330 -6.9330 -6.8662 -6.8662 -6.6842 -6.6842 -3.5668 -3.5668 -3.5425 -3.5425 -2.3062 -2.3062 -2.2084 -2.2084 -2.0182 -2.0182 -1.9751 -1.9751 0.6132 0.6132 1.2134 1.2134 1.6610 1.6610 1.8002 1.8002 2.1226 2.1226 2.1347 2.1347 2.2655 2.2655 2.3416 2.3416 2.6359 2.6359 3.0708 3.0708 3.2434 3.2434 3.7915 3.7915 3.9374 3.9374 4.3988 4.3988 4.7067 4.7067 5.2224 5.2224 5.2753 5.2753 5.8222 5.8222 5.9119 5.9119 5.9754 5.9754 6.3767 6.3767 6.6522 6.6522 9.0108 9.0108 k = 0.4398 0.4565 0.1308 ( 18562 PWs) bands (ev): -14.7507 -14.7507 -14.7257 -14.7257 -7.6031 -7.6031 -6.9322 -6.9322 -6.8548 -6.8548 -6.6851 -6.6851 -3.5675 -3.5675 -3.5406 -3.5406 -2.3086 -2.3086 -2.2051 -2.2051 -2.0167 -2.0167 -1.9721 -1.9721 0.6111 0.6111 1.2413 1.2413 1.6477 1.6477 1.7790 1.7790 2.1154 2.1154 2.1369 2.1369 2.2543 2.2543 2.3482 2.3482 2.6384 2.6384 3.0845 3.0845 3.2594 3.2594 3.8465 3.8465 3.9286 3.9286 4.3996 4.3996 4.6615 4.6615 5.2140 5.2140 5.2621 5.2621 5.8264 5.8264 5.8902 5.8902 5.9573 5.9573 6.3606 6.3606 6.6465 6.6465 8.9877 8.9877 k = 0.4484 0.4450 0.1121 ( 18566 PWs) bands (ev): -14.7506 -14.7506 -14.7262 -14.7262 -7.6109 -7.6109 -6.9315 -6.9315 -6.8447 -6.8447 -6.6860 -6.6860 -3.5682 -3.5682 -3.5389 -3.5389 -2.3110 -2.3110 -2.2021 -2.2021 -2.0156 -2.0156 -1.9692 -1.9692 0.6095 0.6095 1.2696 1.2696 1.6361 1.6361 1.7567 1.7567 2.1089 2.1089 2.1391 2.1391 2.2444 2.2444 2.3543 2.3543 2.6407 2.6407 3.0966 3.0966 3.2735 3.2735 3.9005 3.9005 3.9211 3.9211 4.3999 4.3999 4.6158 4.6158 5.2059 5.2059 5.2509 5.2509 5.8296 5.8296 5.8705 5.8705 5.9420 5.9420 6.3461 6.3461 6.6413 6.6413 8.9673 8.9673 k = 0.4570 0.4336 0.0935 ( 18568 PWs) bands (ev): -14.7505 -14.7505 -14.7266 -14.7266 -7.6175 -7.6175 -6.9309 -6.9309 -6.8361 -6.8361 -6.6867 -6.6867 -3.5690 -3.5690 -3.5373 -3.5373 -2.3131 -2.3131 -2.1996 -2.1996 -2.0147 -2.0147 -1.9666 -1.9666 0.6083 0.6083 1.2976 1.2976 1.6262 1.6262 1.7339 1.7339 2.1033 2.1033 2.1409 2.1409 2.2359 2.2359 2.3597 2.3597 2.6426 2.6426 3.1071 3.1071 3.2857 3.2857 3.9135 3.9135 3.9545 3.9545 4.3997 4.3997 4.5700 4.5700 5.1981 5.1981 5.2418 5.2418 5.8309 5.8309 5.8541 5.8541 5.9295 5.9295 6.3334 6.3334 6.6367 6.6367 8.9498 8.9498 k = 0.4656 0.4222 0.0748 ( 18564 PWs) bands (ev): -14.7505 -14.7505 -14.7270 -14.7270 -7.6230 -7.6230 -6.9304 -6.9304 -6.8289 -6.8289 -6.6873 -6.6873 -3.5697 -3.5697 -3.5359 -3.5359 -2.3149 -2.3149 -2.1974 -2.1974 -2.0141 -2.0141 -1.9645 -1.9645 0.6075 0.6075 1.3243 1.3243 1.6181 1.6181 1.7114 1.7114 2.0986 2.0986 2.1424 2.1424 2.2289 2.2289 2.3644 2.3644 2.6442 2.6442 3.1158 3.1158 3.2959 3.2959 3.9079 3.9079 4.0055 4.0055 4.3994 4.3994 4.5250 4.5250 5.1911 5.1911 5.2348 5.2348 5.8272 5.8272 5.8449 5.8449 5.9194 5.9194 6.3227 6.3227 6.6328 6.6328 8.9352 8.9352 k = 0.4742 0.4108 0.0561 ( 18562 PWs) bands (ev): -14.7504 -14.7504 -14.7273 -14.7273 -7.6273 -7.6273 -6.9300 -6.9300 -6.8233 -6.8233 -6.6878 -6.6878 -3.5703 -3.5703 -3.5349 -3.5349 -2.3164 -2.3164 -2.1957 -2.1957 -2.0135 -2.0135 -1.9628 -1.9628 0.6069 0.6069 1.3485 1.3485 1.6120 1.6120 1.6904 1.6904 2.0950 2.0950 2.1435 2.1435 2.2235 2.2235 2.3681 2.3681 2.6455 2.6455 3.1227 3.1227 3.3039 3.3039 3.9034 3.9034 4.0531 4.0531 4.3990 4.3990 4.4821 4.4821 5.1852 5.1852 5.2297 5.2297 5.8184 5.8184 5.8433 5.8433 5.9117 5.9117 6.3142 6.3142 6.6297 6.6297 8.9237 8.9237 k = 0.4828 0.3994 0.0374 ( 18554 PWs) bands (ev): -14.7504 -14.7504 -14.7275 -14.7275 -7.6303 -7.6303 -6.9297 -6.9297 -6.8192 -6.8192 -6.6881 -6.6881 -3.5707 -3.5707 -3.5341 -3.5341 -2.3175 -2.3175 -2.1945 -2.1945 -2.0132 -2.0132 -1.9615 -1.9615 0.6066 0.6066 1.3685 1.3685 1.6078 1.6078 1.6726 1.6726 2.0924 2.0924 2.1444 2.1444 2.2196 2.2196 2.3708 2.3708 2.6464 2.6464 3.1277 3.1277 3.3097 3.3097 3.9001 3.9001 4.0945 4.0945 4.3986 4.3986 4.4441 4.4441 5.1807 5.1807 5.2261 5.2261 5.8103 5.8103 5.8437 5.8437 5.9062 5.9062 6.3080 6.3080 6.6273 6.6273 8.9155 8.9155 k = 0.4914 0.3880 0.0187 ( 18572 PWs) bands (ev): -14.7504 -14.7504 -14.7276 -14.7276 -7.6322 -7.6322 -6.9295 -6.9295 -6.8168 -6.8168 -6.6884 -6.6884 -3.5710 -3.5710 -3.5336 -3.5336 -2.3181 -2.3181 -2.1938 -2.1938 -2.0130 -2.0130 -1.9607 -1.9607 0.6064 0.6064 1.3818 1.3818 1.6055 1.6055 1.6603 1.6603 2.0908 2.0908 2.1449 2.1449 2.2172 2.2172 2.3725 2.3725 2.6469 2.6469 3.1307 3.1307 3.3132 3.3132 3.8981 3.8981 4.1247 4.1247 4.3983 4.3983 4.4161 4.4161 5.1779 5.1779 5.2241 5.2241 5.8051 5.8051 5.8442 5.8442 5.9030 5.9030 6.3043 6.3043 6.6259 6.6259 8.9105 8.9105 k = 0.5000 0.3766 0.0000 ( 18574 PWs) bands (ev): -14.7504 -14.7504 -14.7277 -14.7277 -7.6328 -7.6328 -6.9295 -6.9295 -6.8160 -6.8160 -6.6884 -6.6884 -3.5711 -3.5711 -3.5335 -3.5335 -2.3184 -2.3184 -2.1936 -2.1936 -2.0129 -2.0129 -1.9605 -1.9605 0.6063 0.6063 1.3866 1.3866 1.6048 1.6048 1.6559 1.6559 2.0903 2.0903 2.1451 2.1451 2.2164 2.2164 2.3731 2.3731 2.6471 2.6471 3.1317 3.1317 3.3144 3.3144 3.8975 3.8975 4.1361 4.1361 4.3982 4.3982 4.4053 4.4053 5.1770 5.1770 5.2234 5.2234 5.8033 5.8033 5.8444 5.8444 5.9019 5.9019 6.3030 6.3030 6.6255 6.6255 8.9088 8.9088 k = 0.5000 0.3766 0.0000 ( 18574 PWs) bands (ev): -14.7504 -14.7504 -14.7277 -14.7277 -7.6328 -7.6328 -6.9295 -6.9295 -6.8160 -6.8160 -6.6884 -6.6884 -3.5711 -3.5711 -3.5335 -3.5335 -2.3184 -2.3184 -2.1936 -2.1936 -2.0129 -2.0129 -1.9605 -1.9605 0.6063 0.6063 1.3866 1.3866 1.6048 1.6048 1.6559 1.6559 2.0903 2.0903 2.1451 2.1451 2.2164 2.2164 2.3731 2.3731 2.6471 2.6471 3.1317 3.1317 3.3144 3.3144 3.8975 3.8975 4.1361 4.1361 4.3982 4.3982 4.4053 4.4053 5.1770 5.1770 5.2234 5.2234 5.8033 5.8033 5.8444 5.8444 5.9019 5.9019 6.3030 6.3030 6.6255 6.6255 8.9088 8.9088 k = 0.4815 0.3626 0.0000 ( 18572 PWs) bands (ev): -14.7507 -14.7507 -14.7274 -14.7274 -7.6327 -7.6327 -6.9296 -6.9296 -6.8159 -6.8159 -6.6884 -6.6884 -3.5724 -3.5724 -3.5322 -3.5322 -2.3182 -2.3182 -2.1947 -2.1947 -2.0120 -2.0120 -1.9607 -1.9607 0.6054 0.6054 1.3856 1.3856 1.6051 1.6051 1.6575 1.6575 2.0901 2.0901 2.1453 2.1453 2.2168 2.2168 2.3736 2.3736 2.6470 2.6470 3.1302 3.1302 3.3140 3.3140 3.8974 3.8974 4.1369 4.1369 4.3985 4.3985 4.4054 4.4054 5.1769 5.1769 5.2233 5.2233 5.8048 5.8048 5.8438 5.8438 5.9021 5.9021 6.3043 6.3043 6.6261 6.6261 8.9131 8.9131 k = 0.4630 0.3487 0.0000 ( 18564 PWs) bands (ev): -14.7516 -14.7516 -14.7265 -14.7265 -7.6323 -7.6323 -6.9298 -6.9298 -6.8157 -6.8157 -6.6883 -6.6883 -3.5758 -3.5758 -3.5289 -3.5289 -2.3179 -2.3179 -2.1979 -2.1979 -2.0094 -2.0094 -1.9615 -1.9615 0.6026 0.6026 1.3826 1.3826 1.6058 1.6058 1.6622 1.6622 2.0895 2.0895 2.1463 2.1463 2.2179 2.2179 2.3753 2.3753 2.6469 2.6469 3.1258 3.1258 3.3128 3.3128 3.8972 3.8972 4.1392 4.1392 4.3995 4.3995 4.4055 4.4055 5.1767 5.1767 5.2231 5.2231 5.8091 5.8091 5.8422 5.8422 5.9026 5.9026 6.3080 6.3080 6.6280 6.6280 8.9260 8.9260 k = 0.4444 0.3347 0.0000 ( 18560 PWs) bands (ev): -14.7529 -14.7529 -14.7251 -14.7251 -7.6318 -7.6318 -6.9303 -6.9303 -6.8154 -6.8154 -6.6881 -6.6881 -3.5806 -3.5806 -3.5243 -3.5243 -2.3173 -2.3173 -2.2030 -2.2030 -2.0053 -2.0053 -1.9627 -1.9627 0.5981 0.5981 1.3777 1.3777 1.6073 1.6073 1.6696 1.6696 2.0885 2.0885 2.1478 2.1478 2.2198 2.2198 2.3779 2.3779 2.6466 2.6466 3.1184 3.1184 3.3108 3.3108 3.8968 3.8968 4.1430 4.1430 4.4010 4.4010 4.4058 4.4058 5.1764 5.1764 5.2228 5.2228 5.8161 5.8161 5.8396 5.8396 5.9037 5.9037 6.3142 6.3142 6.6310 6.6310 8.9473 8.9473 k = 0.4259 0.3208 0.0000 ( 18566 PWs) bands (ev): -14.7546 -14.7546 -14.7235 -14.7235 -7.6310 -7.6310 -6.9309 -6.9309 -6.8151 -6.8151 -6.6879 -6.6879 -3.5862 -3.5862 -3.5191 -3.5191 -2.3165 -2.3165 -2.2096 -2.2096 -2.0000 -2.0000 -1.9644 -1.9644 0.5920 0.5920 1.3710 1.3710 1.6099 1.6099 1.6795 1.6795 2.0873 2.0873 2.1500 2.1500 2.2223 2.2223 2.3815 2.3815 2.6462 2.6462 3.1083 3.1083 3.3081 3.3081 3.8962 3.8962 4.1482 4.1482 4.4031 4.4031 4.4063 4.4063 5.1760 5.1760 5.2224 5.2224 5.8251 5.8251 5.8361 5.8361 5.9059 5.9059 6.3228 6.3228 6.6351 6.6351 8.9768 8.9768 k = 0.4074 0.3068 0.0000 ( 18550 PWs) bands (ev): -14.7565 -14.7565 -14.7216 -14.7216 -7.6300 -7.6300 -6.9316 -6.9316 -6.8146 -6.8146 -6.6876 -6.6876 -3.5922 -3.5922 -3.5134 -3.5134 -2.3157 -2.3157 -2.2173 -2.2173 -1.9940 -1.9940 -1.9664 -1.9664 0.5844 0.5844 1.3624 1.3624 1.6137 1.6137 1.6913 1.6913 2.0857 2.0857 2.1530 2.1530 2.2254 2.2254 2.3858 2.3858 2.6457 2.6457 3.0957 3.0957 3.3047 3.3047 3.8953 3.8953 4.1547 4.1547 4.4058 4.4058 4.4069 4.4069 5.1756 5.1756 5.2218 5.2218 5.8312 5.8312 5.8360 5.8360 5.9099 5.9099 6.3336 6.3336 6.6402 6.6402 9.0143 9.0143 k = 0.3889 0.2929 0.0000 ( 18546 PWs) bands (ev): -14.7585 -14.7585 -14.7196 -14.7196 -7.6289 -7.6289 -6.9325 -6.9325 -6.8140 -6.8140 -6.6872 -6.6872 -3.5984 -3.5984 -3.5076 -3.5076 -2.3149 -2.3149 -2.2256 -2.2256 -1.9877 -1.9877 -1.9687 -1.9687 0.5756 0.5756 1.3522 1.3522 1.6189 1.6189 1.7049 1.7049 2.0840 2.0840 2.1567 2.1567 2.2289 2.2289 2.3908 2.3908 2.6451 2.6451 3.0807 3.0807 3.3007 3.3007 3.8941 3.8941 4.1625 4.1625 4.4073 4.4073 4.4092 4.4092 5.1751 5.1751 5.2212 5.2212 5.8263 5.8263 5.8458 5.8458 5.9173 5.9173 6.3463 6.3463 6.6461 6.6461 9.0592 9.0592 k = 0.3704 0.2789 0.0000 ( 18560 PWs) bands (ev): -14.7606 -14.7606 -14.7175 -14.7175 -7.6276 -7.6276 -6.9334 -6.9334 -6.8133 -6.8133 -6.6868 -6.6868 -3.6048 -3.6048 -3.5018 -3.5018 -2.3144 -2.3144 -2.2341 -2.2341 -1.9821 -1.9821 -1.9704 -1.9704 0.5656 0.5656 1.3406 1.3406 1.6253 1.6253 1.7199 1.7199 2.0822 2.0822 2.1613 2.1613 2.2328 2.2328 2.3962 2.3962 2.6444 2.6444 3.0636 3.0636 3.2961 3.2961 3.8925 3.8925 4.1714 4.1714 4.4081 4.4081 4.4128 4.4128 5.1746 5.1746 5.2206 5.2206 5.8205 5.8205 5.8538 5.8538 5.9296 5.9296 6.3609 6.3609 6.6526 6.6526 9.1092 9.1099 k = 0.3519 0.2650 0.0000 ( 18556 PWs) bands (ev): -14.7627 -14.7627 -14.7154 -14.7154 -7.6262 -7.6262 -6.9345 -6.9345 -6.8126 -6.8126 -6.6863 -6.6863 -3.6112 -3.6112 -3.4960 -3.4960 -2.3145 -2.3145 -2.2422 -2.2422 -1.9801 -1.9801 -1.9687 -1.9687 0.5547 0.5547 1.3277 1.3277 1.6329 1.6329 1.7362 1.7362 2.0803 2.0803 2.1667 2.1667 2.2369 2.2369 2.4019 2.4019 2.6437 2.6437 3.0447 3.0447 3.2911 3.2911 3.8905 3.8905 4.1813 4.1813 4.4089 4.4089 4.4168 4.4168 5.1741 5.1741 5.2199 5.2199 5.8143 5.8143 5.8588 5.8588 5.9477 5.9477 6.3771 6.3771 6.6596 6.6596 9.1464 9.1473 k = 0.3333 0.2510 0.0000 ( 18570 PWs) bands (ev): -14.7648 -14.7648 -14.7133 -14.7133 -7.6246 -7.6246 -6.9356 -6.9356 -6.8118 -6.8118 -6.6858 -6.6858 -3.6175 -3.6175 -3.4902 -3.4902 -2.3155 -2.3155 -2.2493 -2.2493 -1.9825 -1.9825 -1.9632 -1.9632 0.5432 0.5432 1.3137 1.3137 1.6417 1.6417 1.7535 1.7535 2.0784 2.0784 2.1728 2.1728 2.2413 2.2413 2.4077 2.4077 2.6428 2.6428 3.0242 3.0242 3.2858 3.2858 3.8880 3.8880 4.1921 4.1921 4.4098 4.4098 4.4211 4.4211 5.1737 5.1737 5.2193 5.2193 5.8078 5.8078 5.8612 5.8612 5.9711 5.9711 6.3946 6.3946 6.6669 6.6669 9.1855 9.1855 k = 0.3148 0.2371 0.0000 ( 18566 PWs) bands (ev): -14.7669 -14.7669 -14.7113 -14.7113 -7.6230 -7.6230 -6.9367 -6.9367 -6.8110 -6.8110 -6.6853 -6.6853 -3.6238 -3.6238 -3.4846 -3.4846 -2.3179 -2.3179 -2.2548 -2.2548 -1.9863 -1.9863 -1.9568 -1.9568 0.5312 0.5312 1.2988 1.2988 1.6515 1.6515 1.7716 1.7716 2.0766 2.0766 2.1798 2.1798 2.2459 2.2459 2.4135 2.4135 2.6420 2.6420 3.0024 3.0024 3.2801 3.2801 3.8852 3.8852 4.2035 4.2035 4.4107 4.4107 4.4256 4.4256 5.1733 5.1733 5.2187 5.2187 5.8010 5.8010 5.8617 5.8617 5.9988 5.9988 6.4132 6.4132 6.6743 6.6743 9.2283 9.2283 k = 0.2963 0.2231 0.0000 ( 18566 PWs) bands (ev): -14.7690 -14.7690 -14.7093 -14.7093 -7.6213 -7.6213 -6.9378 -6.9378 -6.8102 -6.8102 -6.6847 -6.6847 -3.6300 -3.6300 -3.4792 -3.4792 -2.3222 -2.3222 -2.2582 -2.2582 -1.9908 -1.9908 -1.9503 -1.9503 0.5189 0.5189 1.2833 1.2833 1.6621 1.6621 1.7904 1.7904 2.0748 2.0748 2.1874 2.1874 2.2505 2.2505 2.4191 2.4191 2.6410 2.6410 2.9796 2.9796 3.2742 3.2742 3.8820 3.8820 4.2155 4.2155 4.4117 4.4117 4.4302 4.4302 5.1730 5.1730 5.2182 5.2182 5.7942 5.7942 5.8609 5.8609 6.0299 6.0299 6.4326 6.4326 6.6818 6.6818 9.2744 9.2744 k = 0.2778 0.2092 0.0000 ( 18568 PWs) bands (ev): -14.7710 -14.7710 -14.7073 -14.7073 -7.6195 -7.6195 -6.9390 -6.9390 -6.8093 -6.8093 -6.6842 -6.6842 -3.6360 -3.6360 -3.4739 -3.4739 -2.3281 -2.3281 -2.2595 -2.2595 -1.9956 -1.9956 -1.9442 -1.9442 0.5066 0.5066 1.2674 1.2674 1.6734 1.6734 1.8097 1.8097 2.0731 2.0731 2.1957 2.1957 2.2551 2.2551 2.4245 2.4245 2.6401 2.6401 2.9561 2.9561 3.2682 3.2682 3.8784 3.8784 4.2279 4.2279 4.4127 4.4127 4.4348 4.4348 5.1728 5.1728 5.2179 5.2179 5.7874 5.7874 5.8592 5.8592 6.0637 6.0637 6.4526 6.4526 6.6892 6.6892 9.3236 9.3236 k = 0.2593 0.1953 0.0000 ( 18576 PWs) bands (ev): -14.7729 -14.7729 -14.7054 -14.7054 -7.6178 -7.6178 -6.9400 -6.9400 -6.8085 -6.8085 -6.6836 -6.6836 -3.6418 -3.6418 -3.4689 -3.4689 -2.3354 -2.3354 -2.2590 -2.2590 -2.0007 -2.0007 -1.9384 -1.9384 0.4944 0.4944 1.2514 1.2514 1.6852 1.6852 1.8292 1.8292 2.0715 2.0715 2.2046 2.2046 2.2598 2.2598 2.4294 2.4294 2.6391 2.6391 2.9320 2.9320 3.2622 3.2622 3.8746 3.8746 4.2405 4.2405 4.4137 4.4137 4.4395 4.4395 5.1726 5.1726 5.2176 5.2176 5.7807 5.7807 5.8570 5.8570 6.0997 6.0997 6.4728 6.4728 6.6963 6.6963 9.3722 9.3725 k = 0.2407 0.1813 0.0000 ( 18580 PWs) bands (ev): -14.7747 -14.7747 -14.7036 -14.7036 -7.6160 -7.6160 -6.9411 -6.9411 -6.8076 -6.8076 -6.6830 -6.6830 -3.6473 -3.6473 -3.4641 -3.4641 -2.3436 -2.3436 -2.2571 -2.2571 -2.0061 -2.0061 -1.9330 -1.9330 0.4824 0.4824 1.2353 1.2353 1.6973 1.6973 1.8489 1.8489 2.0701 2.0701 2.2138 2.2138 2.2643 2.2643 2.4339 2.4339 2.6381 2.6381 2.9078 2.9078 3.2562 3.2562 3.8706 3.8706 4.2532 4.2532 4.4147 4.4147 4.4440 4.4440 5.1725 5.1725 5.2176 5.2176 5.7743 5.7743 5.8544 5.8544 6.1373 6.1373 6.4929 6.4929 6.7031 6.7031 9.3079 9.3079 k = 0.2222 0.1674 0.0000 ( 18578 PWs) bands (ev): -14.7764 -14.7764 -14.7019 -14.7019 -7.6143 -7.6143 -6.9420 -6.9420 -6.8068 -6.8068 -6.6824 -6.6824 -3.6527 -3.6527 -3.4595 -3.4595 -2.3521 -2.3521 -2.2542 -2.2542 -2.0116 -2.0116 -1.9281 -1.9281 0.4709 0.4709 1.2195 1.2195 1.7096 1.7096 1.8686 1.8686 2.0687 2.0687 2.2234 2.2234 2.2688 2.2688 2.4379 2.4379 2.6372 2.6372 2.8836 2.8836 3.2503 3.2503 3.8664 3.8664 4.2657 4.2657 4.4158 4.4158 4.4483 4.4483 5.1724 5.1724 5.2178 5.2178 5.7681 5.7681 5.8515 5.8515 6.1760 6.1760 6.5128 6.5128 6.7095 6.7095 9.2294 9.2294 k = 0.2037 0.1534 0.0000 ( 18556 PWs) bands (ev): -14.7781 -14.7781 -14.7003 -14.7003 -7.6127 -7.6127 -6.9429 -6.9429 -6.8060 -6.8060 -6.6818 -6.6818 -3.6577 -3.6577 -3.4553 -3.4553 -2.3607 -2.3607 -2.2506 -2.2506 -2.0171 -2.0171 -1.9237 -1.9237 0.4599 0.4599 1.2042 1.2042 1.7218 1.7218 1.8879 1.8879 2.0675 2.0675 2.2331 2.2331 2.2731 2.2731 2.4413 2.4413 2.6362 2.6362 2.8597 2.8597 3.2446 3.2446 3.8622 3.8622 4.2780 4.2780 4.4168 4.4168 4.4523 4.4523 5.1724 5.1724 5.2181 5.2181 5.7623 5.7623 5.8485 5.8485 6.2152 6.2152 6.5322 6.5322 6.7154 6.7154 9.1515 9.1515 k = 0.1852 0.1395 0.0000 ( 18556 PWs) bands (ev): -14.7796 -14.7796 -14.6989 -14.6989 -7.6111 -7.6111 -6.9437 -6.9437 -6.8053 -6.8053 -6.6812 -6.6812 -3.6624 -3.6624 -3.4513 -3.4513 -2.3690 -2.3690 -2.2466 -2.2466 -2.0227 -2.0227 -1.9198 -1.9198 0.4496 0.4496 1.1895 1.1895 1.7337 1.7337 1.9069 1.9069 2.0665 2.0665 2.2427 2.2427 2.2773 2.2773 2.4441 2.4441 2.6353 2.6353 2.8364 2.8364 3.2391 3.2391 3.8581 3.8581 4.2898 4.2898 4.4178 4.4178 4.4561 4.4561 5.1724 5.1724 5.2186 5.2186 5.7568 5.7568 5.8454 5.8454 6.2544 6.2544 6.5507 6.5507 6.7209 6.7209 9.0764 9.0764 k = 0.1667 0.1255 0.0000 ( 18538 PWs) bands (ev): -14.7810 -14.7810 -14.6975 -14.6975 -7.6097 -7.6097 -6.9445 -6.9445 -6.8045 -6.8045 -6.6807 -6.6807 -3.6668 -3.6668 -3.4476 -3.4476 -2.3770 -2.3770 -2.2424 -2.2424 -2.0283 -2.0283 -1.9163 -1.9163 0.4400 0.4400 1.1757 1.1757 1.7452 1.7452 1.9252 1.9252 2.0655 2.0655 2.2522 2.2522 2.2813 2.2813 2.4464 2.4464 2.6345 2.6345 2.8139 2.8139 3.2340 3.2340 3.8540 3.8540 4.3011 4.3011 4.4187 4.4187 4.4596 4.4596 5.1723 5.1723 5.2194 5.2194 5.7518 5.7518 5.8422 5.8422 6.2929 6.2929 6.5682 6.5682 6.7258 6.7258 9.0052 9.0052 k = 0.1481 0.1116 0.0000 ( 18534 PWs) bands (ev): -14.7822 -14.7822 -14.6963 -14.6963 -7.6084 -7.6084 -6.9451 -6.9451 -6.8039 -6.8039 -6.6802 -6.6802 -3.6707 -3.6707 -3.4443 -3.4443 -2.3844 -2.3844 -2.2381 -2.2381 -2.0337 -2.0337 -1.9133 -1.9133 0.4313 0.4313 1.1628 1.1628 1.7562 1.7562 1.9425 1.9425 2.0647 2.0647 2.2612 2.2612 2.2852 2.2852 2.4481 2.4481 2.6336 2.6336 2.7926 2.7926 3.2292 3.2292 3.8502 3.8502 4.3116 4.3116 4.4196 4.4196 4.4627 4.4627 5.1723 5.1723 5.2202 5.2202 5.7473 5.7473 5.8392 5.8392 6.3301 6.3301 6.5845 6.5845 6.7302 6.7302 8.9386 8.9386 k = 0.1296 0.0976 0.0000 ( 18542 PWs) bands (ev): -14.7834 -14.7834 -14.6952 -14.6952 -7.6071 -7.6071 -6.9456 -6.9456 -6.8033 -6.8033 -6.6797 -6.6797 -3.6743 -3.6743 -3.4413 -3.4413 -2.3911 -2.3911 -2.2338 -2.2338 -2.0388 -2.0388 -1.9107 -1.9107 0.4234 0.4234 1.1511 1.1511 1.7663 1.7663 1.9588 1.9588 2.0640 2.0640 2.2695 2.2695 2.2891 2.2891 2.4492 2.4492 2.6329 2.6329 2.7726 2.7726 3.2249 3.2249 3.8466 3.8466 4.3212 4.3212 4.4204 4.4204 4.4654 4.4654 5.1722 5.1722 5.2212 5.2212 5.7433 5.7433 5.8363 5.8363 6.3653 6.3653 6.5994 6.5994 6.7341 6.7341 8.8775 8.8775 k = 0.1111 0.0837 0.0000 ( 18530 PWs) bands (ev): -14.7843 -14.7843 -14.6942 -14.6942 -7.6061 -7.6061 -6.9461 -6.9461 -6.8028 -6.8028 -6.6793 -6.6793 -3.6775 -3.6775 -3.4386 -3.4386 -2.3972 -2.3972 -2.2296 -2.2296 -2.0436 -2.0436 -1.9085 -1.9085 0.4165 0.4165 1.1407 1.1407 1.7754 1.7754 1.9737 1.9737 2.0634 2.0634 2.2767 2.2767 2.2930 2.2930 2.4500 2.4500 2.6323 2.6323 2.7544 2.7544 3.2210 3.2210 3.8434 3.8434 4.3298 4.3298 4.4211 4.4211 4.4678 4.4678 5.1721 5.1721 5.2222 5.2222 5.7398 5.7398 5.8336 5.8336 6.3978 6.3978 6.6126 6.6126 6.7374 6.7374 8.8225 8.8225 k = 0.0926 0.0697 0.0000 ( 18530 PWs) bands (ev): -14.7852 -14.7852 -14.6934 -14.6934 -7.6052 -7.6052 -6.9465 -6.9465 -6.8024 -6.8024 -6.6789 -6.6789 -3.6802 -3.6802 -3.4364 -3.4364 -2.4024 -2.4024 -2.2258 -2.2258 -2.0480 -2.0480 -1.9067 -1.9067 0.4106 0.4106 1.1317 1.1317 1.7835 1.7835 1.9869 1.9869 2.0629 2.0629 2.2825 2.2825 2.2971 2.2971 2.4504 2.4504 2.6317 2.6317 2.7383 2.7383 3.2176 3.2176 3.8405 3.8405 4.3373 4.3373 4.4217 4.4217 4.4698 4.4698 5.1720 5.1720 5.2232 5.2232 5.7368 5.7368 5.8312 5.8312 6.4270 6.4270 6.6240 6.6240 6.7402 6.7402 8.7744 8.7744 k = 0.0741 0.0558 0.0000 ( 18538 PWs) bands (ev): -14.7859 -14.7859 -14.6927 -14.6927 -7.6044 -7.6044 -6.9468 -6.9468 -6.8020 -6.8020 -6.6786 -6.6786 -3.6824 -3.6824 -3.4345 -3.4345 -2.4067 -2.4067 -2.2224 -2.2224 -2.0518 -2.0518 -1.9053 -1.9053 0.4057 0.4057 1.1241 1.1241 1.7903 1.7903 1.9982 1.9982 2.0626 2.0626 2.2868 2.2868 2.3012 2.3012 2.4505 2.4505 2.6312 2.6312 2.7245 2.7245 3.2148 3.2148 3.8381 3.8381 4.3436 4.3436 4.4222 4.4222 4.4714 4.4714 5.1718 5.1718 5.2241 5.2241 5.7344 5.7344 5.8291 5.8291 6.4520 6.4520 6.6336 6.6336 6.7425 6.7425 8.7338 8.7338 k = 0.0556 0.0418 0.0000 ( 18521 PWs) bands (ev): -14.7864 -14.7864 -14.6922 -14.6922 -7.6038 -7.6038 -6.9470 -6.9470 -6.8017 -6.8017 -6.6784 -6.6784 -3.6842 -3.6842 -3.4331 -3.4331 -2.4101 -2.4101 -2.2196 -2.2196 -2.0550 -2.0550 -1.9042 -1.9042 0.4019 0.4019 1.1182 1.1182 1.7957 1.7957 2.0073 2.0073 2.0623 2.0623 2.2898 2.2898 2.3051 2.3051 2.4505 2.4505 2.6309 2.6309 2.7134 2.7134 3.2126 3.2126 3.8362 3.8362 4.3486 4.3486 4.4226 4.4226 4.4726 4.4726 5.1718 5.1718 5.2248 5.2248 5.7325 5.7325 5.8275 5.8275 6.4723 6.4723 6.6411 6.6411 6.7443 6.7443 8.7014 8.7014 k = 0.0370 0.0279 0.0000 ( 18511 PWs) bands (ev): -14.7868 -14.7868 -14.6918 -14.6918 -7.6034 -7.6034 -6.9471 -6.9471 -6.8015 -6.8015 -6.6782 -6.6782 -3.6854 -3.6854 -3.4320 -3.4320 -2.4126 -2.4126 -2.2175 -2.2175 -2.0573 -2.0573 -1.9034 -1.9034 0.3991 0.3991 1.1139 1.1139 1.7997 1.7997 2.0140 2.0140 2.0621 2.0621 2.2917 2.2917 2.3082 2.3082 2.4503 2.4503 2.6306 2.6306 2.7052 2.7052 3.2110 3.2110 3.8348 3.8348 4.3522 4.3522 4.4229 4.4229 4.4735 4.4735 5.1717 5.1717 5.2254 5.2254 5.7311 5.7311 5.8263 5.8263 6.4872 6.4872 6.6465 6.6465 6.7456 6.7456 8.6778 8.6778 k = 0.0185 0.0139 0.0000 ( 18527 PWs) bands (ev): -14.7870 -14.7870 -14.6916 -14.6916 -7.6031 -7.6031 -6.9472 -6.9472 -6.8014 -6.8014 -6.6781 -6.6781 -3.6862 -3.6862 -3.4314 -3.4314 -2.4141 -2.4141 -2.2162 -2.2162 -2.0587 -2.0587 -1.9029 -1.9029 0.3975 0.3975 1.1113 1.1113 1.8021 1.8021 2.0182 2.0182 2.0620 2.0620 2.2928 2.2928 2.3102 2.3102 2.4502 2.4502 2.6304 2.6304 2.7002 2.7002 3.2101 3.2101 3.8340 3.8340 4.3544 4.3544 4.4231 4.4231 4.4740 4.4740 5.1716 5.1716 5.2258 5.2258 5.7303 5.7303 5.8255 5.8255 6.4964 6.4964 6.6498 6.6498 6.7463 6.7463 8.6635 8.6635 k = 0.0000 0.0000 0.0000 ( 18535 PWs) bands (ev): -14.7871 -14.7871 -14.6915 -14.6915 -7.6030 -7.6030 -6.9473 -6.9473 -6.8013 -6.8013 -6.6781 -6.6781 -3.6865 -3.6865 -3.4312 -3.4312 -2.4146 -2.4146 -2.2158 -2.2158 -2.0592 -2.0592 -1.9028 -1.9028 0.3969 0.3969 1.1105 1.1105 1.8029 1.8029 2.0195 2.0195 2.0619 2.0619 2.2931 2.2931 2.3109 2.3109 2.4502 2.4502 2.6304 2.6304 2.6986 2.6986 3.2097 3.2097 3.8337 3.8337 4.3551 4.3551 4.4232 4.4232 4.4742 4.4742 5.1716 5.1716 5.2259 5.2259 5.7300 5.7300 5.8253 5.8253 6.4994 6.4994 6.6509 6.6509 6.7466 6.7466 8.6587 8.6587 k = 0.0000 0.0000 0.0000 ( 18535 PWs) bands (ev): -14.7871 -14.7871 -14.6915 -14.6915 -7.6030 -7.6030 -6.9473 -6.9473 -6.8013 -6.8013 -6.6781 -6.6781 -3.6865 -3.6865 -3.4312 -3.4312 -2.4146 -2.4146 -2.2158 -2.2158 -2.0592 -2.0592 -1.9028 -1.9028 0.3969 0.3969 1.1105 1.1105 1.8029 1.8029 2.0195 2.0195 2.0619 2.0619 2.2931 2.2931 2.3109 2.3109 2.4502 2.4502 2.6304 2.6304 2.6986 2.6986 3.2097 3.2097 3.8337 3.8337 4.3551 4.3551 4.4232 4.4232 4.4742 4.4742 5.1716 5.1716 5.2259 5.2259 5.7300 5.7300 5.8253 5.8253 6.4994 6.4994 6.6509 6.6509 6.7466 6.7466 8.6587 8.6587 k = 0.0110-0.0145 0.0139 ( 18539 PWs) bands (ev): -14.7871 -14.7871 -14.6915 -14.6915 -7.6030 -7.6030 -6.9474 -6.9474 -6.8018 -6.8018 -6.6779 -6.6779 -3.6861 -3.6861 -3.4311 -3.4311 -2.4139 -2.4139 -2.2153 -2.2153 -2.0591 -2.0591 -1.9028 -1.9028 0.3982 0.3982 1.1106 1.1106 1.8028 1.8028 2.0140 2.0140 2.0665 2.0665 2.2913 2.2913 2.3109 2.3109 2.4500 2.4500 2.6302 2.6302 2.6999 2.6999 3.2066 3.2066 3.8349 3.8349 4.3537 4.3537 4.4232 4.4232 4.4741 4.4741 5.1715 5.1715 5.2258 5.2258 5.7289 5.7289 5.8254 5.8254 6.4996 6.4996 6.6514 6.6514 6.7425 6.7425 8.6630 8.6630 k = 0.0219-0.0291 0.0278 ( 18537 PWs) bands (ev): -14.7869 -14.7869 -14.6917 -14.6917 -7.6029 -7.6029 -6.9479 -6.9479 -6.8032 -6.8032 -6.6775 -6.6775 -3.6849 -3.6849 -3.4310 -3.4310 -2.4121 -2.4121 -2.2139 -2.2139 -2.0587 -2.0587 -1.9027 -1.9027 0.4019 0.4019 1.1109 1.1109 1.8027 1.8027 2.0013 2.0013 2.0765 2.0765 2.2860 2.2860 2.3110 2.3110 2.4493 2.4493 2.6296 2.6296 2.7038 2.7038 3.1971 3.1971 3.8385 3.8385 4.3493 4.3493 4.4233 4.4233 4.4739 4.4739 5.1710 5.1710 5.2255 5.2255 5.7256 5.7256 5.8259 5.8259 6.5000 6.5000 6.6528 6.6528 6.7304 6.7304 8.6758 8.6758 k = 0.0329-0.0436 0.0417 ( 18529 PWs) bands (ev): -14.7867 -14.7867 -14.6919 -14.6919 -7.6027 -7.6027 -6.9486 -6.9486 -6.8055 -6.8055 -6.6769 -6.6769 -3.6829 -3.6829 -3.4308 -3.4308 -2.4091 -2.4091 -2.2115 -2.2115 -2.0581 -2.0581 -1.9026 -1.9026 0.4081 0.4081 1.1114 1.1114 1.8024 1.8024 1.9853 1.9853 2.0880 2.0880 2.2775 2.2775 2.3111 2.3111 2.4482 2.4482 2.6286 2.6286 2.7100 2.7100 3.1817 3.1817 3.8444 3.8444 4.3421 4.3421 4.4235 4.4235 4.4735 4.4735 5.1702 5.1702 5.2249 5.2249 5.7203 5.7203 5.8266 5.8266 6.5006 6.5006 6.6550 6.6550 6.7109 6.7109 8.6967 8.6967 k = 0.0438-0.0582 0.0557 ( 18521 PWs) bands (ev): -14.7864 -14.7864 -14.6921 -14.6921 -7.6025 -7.6025 -6.9497 -6.9497 -6.8085 -6.8085 -6.6761 -6.6761 -3.6803 -3.6803 -3.4305 -3.4305 -2.4049 -2.4049 -2.2081 -2.2081 -2.0573 -2.0573 -1.9025 -1.9025 0.4167 0.4167 1.1121 1.1121 1.8020 1.8020 1.9672 1.9672 2.0998 2.0998 2.2659 2.2659 2.3112 2.3112 2.4468 2.4468 2.6272 2.6272 2.7184 2.7184 3.1607 3.1607 3.8522 3.8522 4.3321 4.3321 4.4237 4.4237 4.4730 4.4730 5.1692 5.1692 5.2242 5.2242 5.7130 5.7130 5.8276 5.8276 6.5014 6.5014 6.6573 6.6573 6.6852 6.6852 8.7249 8.7249 k = 0.0548-0.0727 0.0696 ( 18529 PWs) bands (ev): -14.7859 -14.7859 -14.6925 -14.6925 -7.6022 -7.6022 -6.9510 -6.9510 -6.8123 -6.8123 -6.6752 -6.6752 -3.6769 -3.6769 -3.4302 -3.4302 -2.3997 -2.3997 -2.2038 -2.2038 -2.0564 -2.0564 -1.9024 -1.9024 0.4277 0.4277 1.1131 1.1131 1.8015 1.8015 1.9476 1.9476 2.1117 2.1117 2.2518 2.2518 2.3111 2.3111 2.4450 2.4450 2.6255 2.6255 2.7286 2.7286 3.1348 3.1348 3.8617 3.8617 4.3197 4.3197 4.4240 4.4240 4.4723 4.4723 5.1679 5.1679 5.2232 5.2232 5.7039 5.7039 5.8288 5.8288 6.5022 6.5022 6.6479 6.6479 6.6660 6.6660 8.7596 8.7596 k = 0.0657-0.0872 0.0835 ( 18537 PWs) bands (ev): -14.7854 -14.7854 -14.6929 -14.6929 -7.6019 -7.6019 -6.9525 -6.9525 -6.8165 -6.8165 -6.6743 -6.6743 -3.6729 -3.6729 -3.4298 -3.4298 -2.3936 -2.3936 -2.1985 -2.1985 -2.0555 -2.0555 -1.9022 -1.9022 0.4408 0.4408 1.1144 1.1144 1.8007 1.8007 1.9266 1.9266 2.1235 2.1235 2.2354 2.2354 2.3110 2.3110 2.4429 2.4429 2.6234 2.6234 2.7403 2.7403 3.1045 3.1045 3.8725 3.8725 4.3049 4.3049 4.4243 4.4243 4.4715 4.4715 5.1663 5.1663 5.2221 5.2221 5.6933 5.6933 5.8302 5.8302 6.5029 6.5029 6.6124 6.6124 6.6685 6.6685 8.7999 8.7999 k = 0.0767-0.1018 0.0974 ( 18541 PWs) bands (ev): -14.7848 -14.7848 -14.6934 -14.6934 -7.6015 -7.6015 -6.9542 -6.9542 -6.8212 -6.8212 -6.6735 -6.6735 -3.6682 -3.6682 -3.4295 -3.4295 -2.3866 -2.3866 -2.1921 -2.1921 -2.0545 -2.0545 -1.9019 -1.9019 0.4561 0.4561 1.1160 1.1160 1.7998 1.7998 1.9044 1.9044 2.1353 2.1353 2.2173 2.2173 2.3108 2.3108 2.4407 2.4407 2.6212 2.6212 2.7533 2.7533 3.0706 3.0706 3.8845 3.8845 4.2881 4.2881 4.4247 4.4247 4.4705 4.4705 5.1646 5.1646 5.2209 5.2209 5.6813 5.6813 5.8319 5.8319 6.5033 6.5033 6.5712 6.5712 6.6733 6.6733 8.8446 8.8446 k = 0.0876-0.1163 0.1113 ( 18557 PWs) bands (ev): -14.7841 -14.7841 -14.6940 -14.6940 -7.6012 -7.6012 -6.9561 -6.9561 -6.8261 -6.8261 -6.6727 -6.6727 -3.6631 -3.6631 -3.4293 -3.4293 -2.3790 -2.3790 -2.1847 -2.1847 -2.0537 -2.0537 -1.9016 -1.9016 0.4734 0.4734 1.1179 1.1179 1.7986 1.7986 1.8809 1.8809 2.1472 2.1472 2.1977 2.1977 2.3105 2.3105 2.4381 2.4381 2.6187 2.6187 2.7673 2.7673 3.0335 3.0335 3.8972 3.8972 4.2695 4.2695 4.4251 4.4251 4.4694 4.4694 5.1626 5.1626 5.2195 5.2195 5.6682 5.6682 5.8337 5.8337 6.5025 6.5025 6.5277 6.5277 6.6787 6.6787 8.8928 8.8928 k = 0.0986-0.1309 0.1252 ( 18557 PWs) bands (ev): -14.7834 -14.7834 -14.6946 -14.6946 -7.6008 -7.6008 -6.9580 -6.9580 -6.8313 -6.8313 -6.6721 -6.6721 -3.6574 -3.6574 -3.4292 -3.4292 -2.3708 -2.3708 -2.1763 -2.1763 -2.0531 -2.0531 -1.9013 -1.9013 0.4925 0.4925 1.1202 1.1202 1.7970 1.7970 1.8564 1.8564 2.1591 2.1591 2.1776 2.1776 2.3099 2.3099 2.4354 2.4354 2.6160 2.6160 2.7822 2.7822 2.9940 2.9940 3.9105 3.9105 4.2495 4.2495 4.4255 4.4255 4.4681 4.4681 5.1605 5.1605 5.2180 5.2180 5.6544 5.6544 5.8356 5.8356 6.4776 6.4776 6.5058 6.5058 6.6843 6.6843 8.9433 8.9433 k = 0.1095-0.1454 0.1392 ( 18569 PWs) bands (ev): -14.7826 -14.7826 -14.6953 -14.6953 -7.6005 -7.6005 -6.9601 -6.9601 -6.8364 -6.8364 -6.6717 -6.6717 -3.6514 -3.6514 -3.4292 -3.4292 -2.3622 -2.3622 -2.1668 -2.1668 -2.0528 -2.0528 -1.9011 -1.9011 0.5133 0.5133 1.1229 1.1229 1.7950 1.7950 1.8309 1.8309 2.1549 2.1549 2.1734 2.1734 2.3092 2.3092 2.4326 2.4326 2.6133 2.6133 2.7977 2.7977 2.9527 2.9527 3.9241 3.9241 4.2283 4.2283 4.4259 4.4259 4.4666 4.4666 5.1583 5.1583 5.2164 5.2164 5.6399 5.6399 5.8376 5.8376 6.4308 6.4308 6.5042 6.5042 6.6899 6.6899 8.9951 8.9951 k = 0.1205-0.1600 0.1531 ( 18561 PWs) bands (ev): -14.7817 -14.7817 -14.6961 -14.6961 -7.6002 -7.6002 -6.9622 -6.9622 -6.8416 -6.8416 -6.6714 -6.6714 -3.6451 -3.6451 -3.4293 -3.4293 -2.3533 -2.3533 -2.1564 -2.1564 -2.0530 -2.0530 -1.9008 -1.9008 0.5355 0.5355 1.1260 1.1260 1.7924 1.7924 1.8046 1.8046 2.1340 2.1340 2.1863 2.1863 2.3081 2.3081 2.4296 2.4296 2.6106 2.6106 2.8135 2.8135 2.9102 2.9102 3.9380 3.9380 4.2062 4.2062 4.4264 4.4264 4.4650 4.4650 5.1560 5.1560 5.2147 5.2147 5.6252 5.6252 5.8396 5.8396 6.3830 6.3830 6.5026 6.5026 6.6952 6.6952 9.0468 9.0468 k = 0.1314-0.1745 0.1670 ( 18563 PWs) bands (ev): -14.7807 -14.7807 -14.6969 -14.6969 -7.6000 -7.6000 -6.9642 -6.9642 -6.8466 -6.8466 -6.6713 -6.6713 -3.6385 -3.6385 -3.4298 -3.4298 -2.3443 -2.3443 -2.1451 -2.1451 -2.0535 -2.0535 -1.9007 -1.9007 0.5590 0.5590 1.1296 1.1296 1.7776 1.7776 1.7892 1.7892 2.1131 2.1131 2.2004 2.2004 2.3067 2.3067 2.4265 2.4265 2.6079 2.6079 2.8287 2.8287 2.8679 2.8679 3.9519 3.9519 4.1837 4.1837 4.4268 4.4268 4.4632 4.4632 5.1537 5.1537 5.2131 5.2131 5.6104 5.6104 5.8417 5.8417 6.3357 6.3357 6.5004 6.5004 6.7001 6.7001 9.0972 9.0972 k = 0.1424-0.1890 0.1809 ( 18557 PWs) bands (ev): -14.7797 -14.7797 -14.6978 -14.6978 -7.5999 -7.5999 -6.9662 -6.9662 -6.8515 -6.8515 -6.6714 -6.6714 -3.6318 -3.6318 -3.4304 -3.4304 -2.3352 -2.3352 -2.1329 -2.1329 -2.0547 -2.0547 -1.9007 -1.9007 0.5835 0.5835 1.1337 1.1337 1.7501 1.7501 1.7850 1.7850 2.0930 2.0930 2.2154 2.2154 2.3050 2.3050 2.4233 2.4233 2.6053 2.6053 2.8183 2.8183 2.8512 2.8512 3.9656 3.9656 4.1609 4.1609 4.4271 4.4271 4.4613 4.4613 5.1514 5.1514 5.2113 5.2113 5.5959 5.5959 5.8437 5.8437 6.2898 6.2898 6.4974 6.4974 6.7043 6.7043 9.1447 9.1447 k = 0.1533-0.2036 0.1948 ( 18537 PWs) bands (ev): -14.7786 -14.7786 -14.6988 -14.6988 -7.5998 -7.5998 -6.9681 -6.9681 -6.8561 -6.8561 -6.6716 -6.6716 -3.6249 -3.6249 -3.4314 -3.4314 -2.3263 -2.3263 -2.1201 -2.1201 -2.0564 -2.0564 -1.9009 -1.9009 0.6087 0.6087 1.1383 1.1383 1.7224 1.7224 1.7798 1.7798 2.0740 2.0740 2.2314 2.2314 2.3027 2.3027 2.4201 2.4201 2.6030 2.6030 2.7763 2.7763 2.8666 2.8666 3.9789 3.9789 4.1382 4.1382 4.4275 4.4275 4.4592 4.4592 5.1491 5.1491 5.2096 5.2096 5.5817 5.5817 5.8458 5.8458 6.2460 6.2460 6.4933 6.4933 6.7076 6.7076 9.1874 9.1874 k = 0.1643-0.2181 0.2087 ( 18551 PWs) bands (ev): -14.7775 -14.7775 -14.6998 -14.6998 -7.5998 -7.5998 -6.9698 -6.9698 -6.8604 -6.8604 -6.6719 -6.6719 -3.6181 -3.6181 -3.4328 -3.4328 -2.3174 -2.3174 -2.1068 -2.1068 -2.0587 -2.0587 -1.9014 -1.9014 0.6343 0.6343 1.1435 1.1435 1.6947 1.6947 1.7735 1.7735 2.0568 2.0568 2.2486 2.2486 2.3000 2.3000 2.4169 2.4169 2.6009 2.6009 2.7331 2.7331 2.8838 2.8838 3.9917 3.9917 4.1159 4.1159 4.4278 4.4278 4.4570 4.4570 5.1470 5.1470 5.2080 5.2080 5.5681 5.5681 5.8477 5.8477 6.2049 6.2049 6.4881 6.4881 6.7099 6.7099 9.2232 9.2232 k = 0.1752-0.2327 0.2227 ( 18553 PWs) bands (ev): -14.7763 -14.7763 -14.7008 -14.7008 -7.6000 -7.6000 -6.9713 -6.9713 -6.8643 -6.8643 -6.6723 -6.6723 -3.6112 -3.6112 -3.4345 -3.4345 -2.3088 -2.3088 -2.0933 -2.0933 -2.0616 -2.0616 -1.9022 -1.9022 0.6601 0.6601 1.1492 1.1492 1.6672 1.6672 1.7659 1.7659 2.0417 2.0417 2.2668 2.2668 2.2968 2.2968 2.4138 2.4138 2.5991 2.5991 2.6908 2.6908 2.9014 2.9014 4.0037 4.0037 4.0943 4.0943 4.4280 4.4280 4.4547 4.4547 5.1449 5.1449 5.2063 5.2063 5.5553 5.5553 5.8495 5.8495 6.1672 6.1672 6.4817 6.4817 6.7108 6.7108 9.2498 9.2498 k = 0.1862-0.2472 0.2366 ( 18555 PWs) bands (ev): -14.7751 -14.7751 -14.7019 -14.7019 -7.6003 -7.6003 -6.9726 -6.9726 -6.8679 -6.8679 -6.6727 -6.6727 -3.6044 -3.6044 -3.4365 -3.4365 -2.3003 -2.3003 -2.0802 -2.0802 -2.0646 -2.0646 -1.9034 -1.9034 0.6857 0.6857 1.1555 1.1555 1.6401 1.6401 1.7569 1.7569 2.0290 2.0290 2.2860 2.2860 2.2931 2.2931 2.4107 2.4107 2.5977 2.5977 2.6498 2.6498 2.9191 2.9191 4.0145 4.0145 4.0739 4.0739 4.4281 4.4281 4.4523 4.4523 5.1431 5.1431 5.2048 5.2048 5.5435 5.5435 5.8512 5.8512 6.1334 6.1334 6.4741 6.4741 6.7103 6.7103 9.2658 9.2658 k = 0.1971-0.2617 0.2505 ( 18565 PWs) bands (ev): -14.7739 -14.7739 -14.7030 -14.7030 -7.6007 -7.6007 -6.9736 -6.9736 -6.8711 -6.8711 -6.6731 -6.6731 -3.5978 -3.5978 -3.4390 -3.4390 -2.2922 -2.2922 -2.0731 -2.0731 -2.0625 -2.0625 -1.9051 -1.9051 0.7106 0.7106 1.1625 1.1625 1.6140 1.6140 1.7467 1.7467 2.0190 2.0190 2.2888 2.2888 2.3059 2.3059 2.4080 2.4080 2.5967 2.5967 2.6111 2.6111 2.9368 2.9368 4.0231 4.0231 4.0558 4.0558 4.4281 4.4281 4.4498 4.4498 5.1414 5.1414 5.2034 5.2034 5.5328 5.5328 5.8528 5.8528 6.1040 6.1040 6.4652 6.4652 6.7082 6.7082 9.2708 9.2708 k = 0.2081-0.2763 0.2644 ( 18567 PWs) bands (ev): -14.7726 -14.7726 -14.7042 -14.7042 -7.6012 -7.6012 -6.9744 -6.9744 -6.8738 -6.8738 -6.6735 -6.6735 -3.5914 -3.5914 -3.4420 -3.4420 -2.2842 -2.2842 -2.0768 -2.0768 -2.0508 -2.0508 -1.9072 -1.9072 0.7345 0.7345 1.1699 1.1699 1.5890 1.5890 1.7354 1.7354 2.0117 2.0117 2.2840 2.2840 2.3256 2.3256 2.4056 2.4056 2.5752 2.5752 2.5965 2.5965 2.9544 2.9544 4.0244 4.0244 4.0450 4.0450 4.4281 4.4281 4.4473 4.4473 5.1400 5.1400 5.2020 5.2020 5.5234 5.5234 5.8544 5.8544 6.0792 6.0792 6.4549 6.4549 6.7044 6.7044 9.2659 9.2659 k = 0.2190-0.2908 0.2783 ( 18571 PWs) bands (ev): -14.7714 -14.7714 -14.7054 -14.7054 -7.6019 -7.6019 -6.9748 -6.9748 -6.8761 -6.8761 -6.6739 -6.6739 -3.5852 -3.5852 -3.4453 -3.4453 -2.2766 -2.2766 -2.0826 -2.0826 -2.0383 -2.0383 -1.9097 -1.9097 0.7569 0.7569 1.1780 1.1780 1.5656 1.5656 1.7233 1.7233 2.0070 2.0070 2.2787 2.2787 2.3433 2.3433 2.4039 2.4039 2.5445 2.5445 2.5964 2.5964 2.9718 2.9718 4.0130 4.0130 4.0472 4.0472 4.4279 4.4279 4.4447 4.4447 5.1388 5.1388 5.2009 5.2009 5.5153 5.5153 5.8558 5.8558 6.0595 6.0595 6.4432 6.4432 6.6988 6.6988 9.2531 9.2531 k = 0.2300-0.3054 0.2922 ( 18577 PWs) bands (ev): -14.7701 -14.7701 -14.7066 -14.7066 -7.6027 -7.6027 -6.9750 -6.9750 -6.8779 -6.8779 -6.6741 -6.6741 -3.5793 -3.5793 -3.4491 -3.4491 -2.2693 -2.2693 -2.0894 -2.0894 -2.0264 -2.0264 -1.9126 -1.9126 0.7773 0.7773 1.1866 1.1866 1.5443 1.5443 1.7107 1.7107 2.0049 2.0049 2.2728 2.2728 2.3557 2.3557 2.4030 2.4030 2.5224 2.5224 2.5968 2.5968 2.9888 2.9888 3.9990 3.9990 4.0521 4.0521 4.4276 4.4276 4.4420 4.4420 5.1379 5.1379 5.1998 5.1998 5.5087 5.5087 5.8573 5.8573 6.0450 6.0450 6.4302 6.4302 6.6914 6.6914 9.2348 9.2348 k = 0.2409-0.3199 0.3062 ( 18581 PWs) bands (ev): -14.7688 -14.7688 -14.7078 -14.7078 -7.6037 -7.6037 -6.9747 -6.9747 -6.8792 -6.8792 -6.6743 -6.6743 -3.5737 -3.5737 -3.4534 -3.4534 -2.2623 -2.2623 -2.0970 -2.0970 -2.0155 -2.0155 -1.9158 -1.9158 0.7951 0.7951 1.1957 1.1957 1.5255 1.5255 1.6981 1.6981 2.0051 2.0051 2.2665 2.2665 2.3590 2.3590 2.4013 2.4013 2.5143 2.5143 2.5977 2.5977 3.0055 3.0055 3.9861 3.9861 4.0563 4.0563 4.4272 4.4272 4.4394 4.4394 5.1374 5.1374 5.1990 5.1990 5.5037 5.5037 5.8588 5.8588 6.0359 6.0359 6.4158 6.4158 6.6821 6.6821 9.2127 9.2127 k = 0.2519-0.3345 0.3201 ( 18591 PWs) bands (ev): -14.7676 -14.7676 -14.7091 -14.7091 -7.6047 -7.6047 -6.9742 -6.9742 -6.8800 -6.8800 -6.6744 -6.6744 -3.5685 -3.5685 -3.4580 -3.4580 -2.2556 -2.2556 -2.1054 -2.1054 -2.0059 -2.0059 -1.9191 -1.9191 0.8098 0.8098 1.2053 1.2053 1.5098 1.5098 1.6858 1.6858 2.0073 2.0073 2.2599 2.2599 2.3519 2.3519 2.3969 2.3969 2.5235 2.5235 2.5990 2.5990 3.0215 3.0215 3.9750 3.9750 4.0590 4.0590 4.4267 4.4267 4.4368 4.4368 5.1371 5.1371 5.1983 5.1983 5.5003 5.5003 5.8606 5.8606 6.0320 6.0320 6.3999 6.3999 6.6709 6.6709 9.1884 9.1884 k = 0.2628-0.3490 0.3340 ( 18595 PWs) bands (ev): -14.7663 -14.7663 -14.7103 -14.7103 -7.6059 -7.6059 -6.9733 -6.9733 -6.8804 -6.8804 -6.6744 -6.6744 -3.5636 -3.5636 -3.4630 -3.4630 -2.2492 -2.2492 -2.1146 -2.1146 -1.9978 -1.9978 -1.9223 -1.9223 0.8209 0.8209 1.2153 1.2153 1.4974 1.4974 1.6740 1.6740 2.0114 2.0114 2.2529 2.2529 2.3361 2.3361 2.3922 2.3922 2.5459 2.5459 2.6008 2.6008 3.0368 3.0368 3.9659 3.9659 4.0601 4.0601 4.4261 4.4261 4.4342 4.4342 5.1372 5.1372 5.1978 5.1978 5.4986 5.4986 5.8625 5.8625 6.0335 6.0335 6.3828 6.3828 6.6579 6.6579 9.1630 9.1630 k = 0.2738-0.3635 0.3479 ( 18591 PWs) bands (ev): -14.7651 -14.7651 -14.7116 -14.7116 -7.6072 -7.6072 -6.9721 -6.9721 -6.8802 -6.8802 -6.6744 -6.6744 -3.5591 -3.5591 -3.4684 -3.4684 -2.2431 -2.2431 -2.1245 -2.1245 -1.9914 -1.9914 -1.9252 -1.9252 0.8281 0.8281 1.2257 1.2257 1.4888 1.4888 1.6631 1.6631 2.0172 2.0172 2.2456 2.2456 2.3156 2.3156 2.3886 2.3886 2.5761 2.5761 2.6032 2.6032 3.0512 3.0512 3.9592 3.9592 4.0595 4.0595 4.4253 4.4253 4.4317 4.4317 5.1377 5.1377 5.1975 5.1975 5.4986 5.4986 5.8647 5.8647 6.0402 6.0402 6.3643 6.3643 6.6432 6.6432 9.1372 9.1372 k = 0.2847-0.3781 0.3618 ( 18575 PWs) bands (ev): -14.7639 -14.7639 -14.7128 -14.7128 -7.6086 -7.6086 -6.9706 -6.9706 -6.8795 -6.8795 -6.6742 -6.6742 -3.5550 -3.5550 -3.4742 -3.4742 -2.2374 -2.2374 -2.1352 -2.1352 -1.9869 -1.9869 -1.9277 -1.9277 0.8311 0.8311 1.2364 1.2364 1.4842 1.4842 1.6530 1.6530 2.0244 2.0244 2.2382 2.2382 2.2934 2.2934 2.3857 2.3857 2.6029 2.6029 2.6145 2.6145 3.0647 3.0647 3.9549 3.9549 4.0573 4.0573 4.4244 4.4244 4.4293 4.4293 5.1385 5.1385 5.1974 5.1974 5.5005 5.5005 5.8670 5.8670 6.0520 6.0520 6.3445 6.3445 6.6268 6.6268 9.1117 9.1117 k = 0.2957-0.3926 0.3757 ( 18599 PWs) bands (ev): -14.7627 -14.7627 -14.7140 -14.7140 -7.6101 -7.6101 -6.9688 -6.9688 -6.8784 -6.8784 -6.6741 -6.6741 -3.5513 -3.5513 -3.4802 -3.4802 -2.2322 -2.2322 -2.1464 -2.1464 -1.9843 -1.9843 -1.9296 -1.9296 0.8298 0.8298 1.2472 1.2472 1.4835 1.4835 1.6440 1.6440 2.0329 2.0329 2.2307 2.2307 2.2713 2.2713 2.3834 2.3834 2.6070 2.6070 2.6521 2.6521 3.0771 3.0771 3.9530 3.9530 4.0535 4.0535 4.4234 4.4234 4.4270 4.4270 5.1397 5.1397 5.1976 5.1976 5.5041 5.5041 5.8693 5.8693 6.0689 6.0689 6.3235 6.3235 6.6089 6.6089 9.0868 9.0868 k = 0.3066-0.4072 0.3897 ( 18599 PWs) bands (ev): -14.7615 -14.7615 -14.7153 -14.7153 -7.6116 -7.6116 -6.9667 -6.9667 -6.8767 -6.8767 -6.6739 -6.6739 -3.5480 -3.5480 -3.4865 -3.4865 -2.2273 -2.2273 -2.1582 -2.1582 -1.9834 -1.9834 -1.9310 -1.9310 0.8246 0.8246 1.2582 1.2582 1.4865 1.4865 1.6362 1.6362 2.0426 2.0426 2.2231 2.2231 2.2502 2.2502 2.3814 2.3814 2.6099 2.6099 2.6935 2.6935 3.0883 3.0883 3.9536 3.9536 4.0482 4.0482 4.4223 4.4223 4.4248 4.4248 5.1412 5.1412 5.1979 5.1979 5.5095 5.5095 5.8716 5.8716 6.0905 6.0905 6.3014 6.3014 6.5898 6.5898 9.0630 9.0630 k = 0.3176-0.4217 0.4036 ( 18593 PWs) bands (ev): -14.7604 -14.7604 -14.7164 -14.7164 -7.6132 -7.6132 -6.9644 -6.9644 -6.8745 -6.8745 -6.6738 -6.6738 -3.5451 -3.5451 -3.4930 -3.4930 -2.2229 -2.2229 -2.1703 -2.1703 -1.9841 -1.9841 -1.9319 -1.9319 0.8158 0.8158 1.2693 1.2693 1.4928 1.4928 1.6294 1.6294 2.0532 2.0532 2.2156 2.2156 2.2305 2.2305 2.3797 2.3797 2.6129 2.6129 2.7371 2.7371 3.0982 3.0982 3.9567 3.9567 4.0416 4.0416 4.4210 4.4210 4.4228 4.4228 5.1431 5.1431 5.1985 5.1985 5.5166 5.5166 5.8737 5.8737 6.1166 6.1166 6.2782 6.2782 6.5695 6.5695 9.0404 9.0404 k = 0.3285-0.4362 0.4175 ( 18599 PWs) bands (ev): -14.7593 -14.7593 -14.7176 -14.7176 -7.6149 -7.6149 -6.9619 -6.9619 -6.8719 -6.8719 -6.6738 -6.6738 -3.5426 -3.5426 -3.4997 -3.4997 -2.2192 -2.2192 -2.1824 -2.1824 -1.9858 -1.9858 -1.9328 -1.9328 0.8039 0.8039 1.2804 1.2804 1.5019 1.5019 1.6237 1.6237 2.0645 2.0645 2.2076 2.2076 2.2128 2.2128 2.3783 2.3783 2.6160 2.6160 2.7823 2.7823 3.1069 3.1069 3.9622 3.9622 4.0339 4.0339 4.4195 4.4195 4.4210 4.4210 5.1452 5.1452 5.1993 5.1993 5.5256 5.5256 5.8756 5.8756 6.1466 6.1466 6.2541 6.2541 6.5483 6.5483 9.0193 9.0193 k = 0.3395-0.4508 0.4314 ( 18613 PWs) bands (ev): -14.7583 -14.7583 -14.7187 -14.7187 -7.6165 -7.6165 -6.9593 -6.9593 -6.8688 -6.8688 -6.6739 -6.6739 -3.5404 -3.5404 -3.5064 -3.5064 -2.2166 -2.2166 -2.1941 -2.1941 -1.9881 -1.9881 -1.9338 -1.9338 0.7896 0.7896 1.2913 1.2913 1.5131 1.5131 1.6190 1.6190 2.0764 2.0764 2.1949 2.1949 2.2019 2.2019 2.3771 2.3771 2.6191 2.6191 2.8285 2.8285 3.1142 3.1142 3.9697 3.9697 4.0254 4.0254 4.4178 4.4178 4.4194 4.4194 5.1476 5.1476 5.2002 5.2002 5.5362 5.5362 5.8772 5.8772 6.1802 6.1802 6.2291 6.2291 6.5265 6.5265 8.9998 8.9998 k = 0.3395-0.4508 0.4314 ( 18613 PWs) bands (ev): -14.7583 -14.7583 -14.7187 -14.7187 -7.6165 -7.6165 -6.9593 -6.9593 -6.8688 -6.8688 -6.6739 -6.6739 -3.5404 -3.5404 -3.5064 -3.5064 -2.2166 -2.2166 -2.1941 -2.1941 -1.9881 -1.9881 -1.9338 -1.9338 0.7896 0.7896 1.2913 1.2913 1.5131 1.5131 1.6190 1.6190 2.0764 2.0764 2.1949 2.1949 2.2019 2.2019 2.3771 2.3771 2.6191 2.6191 2.8285 2.8285 3.1142 3.1142 3.9697 3.9697 4.0254 4.0254 4.4178 4.4178 4.4194 4.4194 5.1476 5.1476 5.2002 5.2002 5.5362 5.5362 5.8772 5.8772 6.1802 6.1802 6.2291 6.2291 6.5265 6.5265 8.9998 8.9998 k = 0.3495-0.4316 0.4243 ( 18605 PWs) bands (ev): -14.7588 -14.7588 -14.7181 -14.7181 -7.6156 -7.6156 -6.9607 -6.9607 -6.8704 -6.8704 -6.6738 -6.6738 -3.5419 -3.5419 -3.5025 -3.5025 -2.2180 -2.2180 -2.1882 -2.1882 -1.9867 -1.9867 -1.9333 -1.9333 0.7967 0.7967 1.2855 1.2855 1.5068 1.5068 1.6227 1.6227 2.0697 2.0697 2.2026 2.2026 2.2065 2.2065 2.3775 2.3775 2.6177 2.6177 2.8045 2.8045 3.1103 3.1103 3.9649 3.9649 4.0306 4.0306 4.4188 4.4188 4.4202 4.4202 5.1457 5.1457 5.2004 5.2004 5.5310 5.5310 5.8763 5.8763 6.1602 6.1602 6.2445 6.2445 6.5381 6.5381 9.0119 9.0119 k = 0.3596-0.4124 0.4172 ( 18599 PWs) bands (ev): -14.7595 -14.7595 -14.7173 -14.7173 -7.6146 -7.6146 -6.9622 -6.9622 -6.8719 -6.8719 -6.6738 -6.6738 -3.5442 -3.5442 -3.4980 -3.4980 -2.2204 -2.2204 -2.1818 -2.1818 -1.9853 -1.9853 -1.9329 -1.9329 0.8025 0.8025 1.2792 1.2792 1.5003 1.5003 1.6291 1.6291 2.0621 2.0621 2.2084 2.2084 2.2146 2.2146 2.3775 2.3775 2.6169 2.6169 2.7803 2.7803 3.1056 3.1056 3.9596 3.9596 4.0369 4.0369 4.4198 4.4198 4.4214 4.4214 5.1427 5.1427 5.2019 5.2019 5.5271 5.5271 5.8752 5.8752 6.1391 6.1391 6.2616 6.2616 6.5504 6.5504 9.0291 9.0291 k = 0.3696-0.3932 0.4101 ( 18603 PWs) bands (ev): -14.7603 -14.7603 -14.7165 -14.7165 -7.6136 -7.6136 -6.9637 -6.9637 -6.8732 -6.8732 -6.6738 -6.6738 -3.5467 -3.5467 -3.4933 -3.4933 -2.2234 -2.2234 -2.1751 -2.1751 -1.9840 -1.9840 -1.9326 -1.9326 0.8070 0.8070 1.2725 1.2725 1.4938 1.4938 1.6380 1.6380 2.0535 2.0535 2.2130 2.2130 2.2250 2.2250 2.3770 2.3770 2.6166 2.6166 2.7559 2.7559 3.1003 3.1003 3.9541 3.9541 4.0438 4.0438 4.4207 4.4207 4.4229 4.4229 5.1389 5.1389 5.2043 5.2043 5.5245 5.5245 5.8739 5.8739 6.1185 6.1185 6.2789 6.2789 6.5630 6.5630 9.0510 9.0510 k = 0.3796-0.3740 0.4030 ( 18613 PWs) bands (ev): -14.7612 -14.7612 -14.7157 -14.7157 -7.6125 -7.6125 -6.9652 -6.9652 -6.8743 -6.8743 -6.6738 -6.6738 -3.5494 -3.5494 -3.4886 -3.4886 -2.2270 -2.2270 -2.1681 -2.1681 -1.9830 -1.9830 -1.9322 -1.9322 0.8103 0.8103 1.2657 1.2657 1.4874 1.4874 1.6491 1.6491 2.0443 2.0443 2.2177 2.2177 2.2364 2.2364 2.3759 2.3759 2.6169 2.6169 2.7315 2.7315 3.0947 3.0947 3.9485 3.9485 4.0510 4.0510 4.4215 4.4215 4.4247 4.4247 5.1346 5.1346 5.2076 5.2076 5.5229 5.5229 5.8724 5.8724 6.0986 6.0986 6.2957 6.2957 6.5758 6.5758 9.0772 9.0772 k = 0.3897-0.3548 0.3959 ( 18622 PWs) bands (ev): -14.7620 -14.7620 -14.7148 -14.7148 -7.6113 -7.6113 -6.9667 -6.9667 -6.8753 -6.8753 -6.6738 -6.6738 -3.5521 -3.5521 -3.4840 -3.4840 -2.2308 -2.2308 -2.1609 -2.1609 -1.9825 -1.9825 -1.9316 -1.9316 0.8127 0.8127 1.2589 1.2589 1.4812 1.4812 1.6620 1.6620 2.0343 2.0343 2.2226 2.2226 2.2485 2.2485 2.3739 2.3739 2.6178 2.6178 2.7072 2.7072 3.0889 3.0889 3.9431 3.9431 4.0582 4.0582 4.4222 4.4222 4.4267 4.4267 5.1299 5.1299 5.2114 5.2114 5.5224 5.5224 5.8707 5.8707 6.0798 6.0798 6.3119 6.3119 6.5887 6.5887 9.1071 9.1071 k = 0.3997-0.3356 0.3888 ( 18604 PWs) bands (ev): -14.7628 -14.7628 -14.7139 -14.7139 -7.6102 -7.6102 -6.9681 -6.9681 -6.8762 -6.8762 -6.6738 -6.6738 -3.5548 -3.5548 -3.4797 -3.4797 -2.2348 -2.2348 -2.1537 -2.1537 -1.9827 -1.9827 -1.9309 -1.9309 0.8142 0.8142 1.2523 1.2523 1.4754 1.4754 1.6764 1.6764 2.0237 2.0237 2.2277 2.2277 2.2611 2.2611 2.3712 2.3712 2.6192 2.6192 2.6832 2.6832 3.0832 3.0832 3.9379 3.9379 4.0651 4.0651 4.4230 4.4230 4.4289 4.4289 5.1252 5.1252 5.2154 5.2154 5.5228 5.5228 5.8690 5.8690 6.0621 6.0621 6.3271 6.3271 6.6012 6.6012 9.1399 9.1399 k = 0.4097-0.3164 0.3817 ( 18603 PWs) bands (ev): -14.7637 -14.7637 -14.7131 -14.7131 -7.6091 -7.6091 -6.9695 -6.9695 -6.8770 -6.8770 -6.6738 -6.6738 -3.5572 -3.5572 -3.4756 -3.4756 -2.2388 -2.2388 -2.1464 -2.1464 -1.9835 -1.9835 -1.9299 -1.9299 0.8151 0.8151 1.2458 1.2458 1.4701 1.4701 1.6920 1.6920 2.0125 2.0125 2.2330 2.2330 2.2741 2.2741 2.3677 2.3677 2.6208 2.6208 2.6597 2.6597 3.0776 3.0776 3.9329 3.9329 4.0718 4.0718 4.4236 4.4236 4.4311 4.4311 5.1206 5.1206 5.2196 5.2196 5.5240 5.5240 5.8671 5.8671 6.0458 6.0458 6.3413 6.3413 6.6134 6.6134 9.1748 9.1748 k = 0.4197-0.2972 0.3745 ( 18608 PWs) bands (ev): -14.7644 -14.7644 -14.7123 -14.7123 -7.6080 -7.6080 -6.9709 -6.9709 -6.8777 -6.8777 -6.6739 -6.6739 -3.5595 -3.5595 -3.4719 -3.4719 -2.2427 -2.2427 -2.1393 -2.1393 -1.9850 -1.9850 -1.9287 -1.9287 0.8154 0.8154 1.2397 1.2397 1.4652 1.4652 1.7085 1.7085 2.0007 2.0007 2.2385 2.2385 2.2874 2.2874 2.3636 2.3636 2.6217 2.6217 2.6377 2.6377 3.0723 3.0723 3.9284 3.9284 4.0779 4.0779 4.4243 4.4243 4.4334 4.4334 5.1162 5.1162 5.2237 5.2237 5.5257 5.5257 5.8651 5.8651 6.0309 6.0309 6.3543 6.3543 6.6248 6.6248 9.2106 9.2106 k = 0.4298-0.2780 0.3674 ( 18595 PWs) bands (ev): -14.7652 -14.7652 -14.7116 -14.7116 -7.6069 -7.6069 -6.9721 -6.9721 -6.8782 -6.8782 -6.6739 -6.6739 -3.5616 -3.5616 -3.4685 -3.4685 -2.2463 -2.2463 -2.1324 -2.1324 -1.9870 -1.9870 -1.9275 -1.9275 0.8153 0.8153 1.2341 1.2341 1.4608 1.4608 1.7256 1.7256 1.9885 1.9885 2.2443 2.2443 2.3006 2.3006 2.3591 2.3591 2.6112 2.6112 2.6281 2.6281 3.0674 3.0674 3.9242 3.9242 4.0835 4.0835 4.4248 4.4248 4.4356 4.4356 5.1121 5.1121 5.2276 5.2276 5.5278 5.5278 5.8631 5.8631 6.0174 6.0174 6.3659 6.3659 6.6355 6.6355 9.2460 9.2460 k = 0.4398-0.2588 0.3603 ( 18594 PWs) bands (ev): -14.7658 -14.7658 -14.7109 -14.7109 -7.6060 -7.6060 -6.9732 -6.9732 -6.8787 -6.8787 -6.6740 -6.6740 -3.5635 -3.5635 -3.4656 -3.4656 -2.2496 -2.2496 -2.1258 -2.1258 -1.9894 -1.9894 -1.9261 -1.9261 0.8150 0.8150 1.2291 1.2291 1.4570 1.4570 1.7429 1.7429 1.9758 1.9758 2.2501 2.2501 2.3135 2.3135 2.3546 2.3546 2.5907 2.5907 2.6294 2.6294 3.0631 3.0631 3.9205 3.9205 4.0884 4.0884 4.4253 4.4253 4.4376 4.4376 5.1085 5.1085 5.2312 5.2312 5.5302 5.5302 5.8612 5.8612 6.0056 6.0056 6.3762 6.3762 6.6451 6.6451 9.2796 9.2796 k = 0.4498-0.2397 0.3532 ( 18590 PWs) bands (ev): -14.7664 -14.7664 -14.7103 -14.7103 -7.6052 -7.6052 -6.9742 -6.9742 -6.8790 -6.8790 -6.6740 -6.6740 -3.5651 -3.5651 -3.4630 -3.4630 -2.2525 -2.2525 -2.1197 -2.1197 -1.9921 -1.9921 -1.9248 -1.9248 0.8145 0.8145 1.2247 1.2247 1.4537 1.4537 1.7602 1.7602 1.9629 1.9629 2.2560 2.2560 2.3248 2.3248 2.3511 2.3511 2.5706 2.5706 2.6314 2.6314 3.0592 3.0592 3.9174 3.9174 4.0926 4.0926 4.4258 4.4258 4.4395 4.4395 5.1053 5.1053 5.2345 5.2345 5.5326 5.5326 5.8593 5.8593 5.9955 5.9955 6.3850 6.3850 6.6536 6.6536 9.3102 9.3102 k = 0.4599-0.2205 0.3461 ( 18587 PWs) bands (ev): -14.7668 -14.7668 -14.7099 -14.7099 -7.6045 -7.6045 -6.9751 -6.9751 -6.8793 -6.8793 -6.6740 -6.6740 -3.5664 -3.5664 -3.4609 -3.4609 -2.2550 -2.2550 -2.1142 -2.1142 -1.9948 -1.9948 -1.9237 -1.9237 0.8140 0.8140 1.2210 1.2210 1.4510 1.4510 1.7769 1.7769 1.9500 1.9500 2.2618 2.2618 2.3311 2.3311 2.3522 2.3522 2.5520 2.5520 2.6333 2.6333 3.0560 3.0560 3.9147 3.9147 4.0961 4.0961 4.4262 4.4262 4.4411 4.4411 5.1026 5.1026 5.2372 5.2372 5.5348 5.5348 5.8576 5.8576 5.9872 5.9872 6.3922 6.3922 6.6607 6.6607 9.3364 9.3364 k = 0.4699-0.2013 0.3390 ( 18586 PWs) bands (ev): -14.7672 -14.7672 -14.7095 -14.7095 -7.6039 -7.6039 -6.9757 -6.9757 -6.8796 -6.8796 -6.6741 -6.6741 -3.5675 -3.5675 -3.4592 -3.4592 -2.2569 -2.2569 -2.1096 -2.1096 -1.9973 -1.9973 -1.9227 -1.9227 0.8135 0.8135 1.2180 1.2180 1.4489 1.4489 1.7924 1.7924 1.9376 1.9376 2.2672 2.2672 2.3302 2.3302 2.3596 2.3596 2.5355 2.5355 2.6350 2.6350 3.0535 3.0535 3.9126 3.9126 4.0989 4.0989 4.4265 4.4265 4.4424 4.4424 5.1005 5.1005 5.2395 5.2395 5.5368 5.5368 5.8561 5.8561 5.9807 5.9807 6.3979 6.3979 6.6663 6.6663 9.3573 9.3573 k = 0.4799-0.1821 0.3319 ( 18586 PWs) bands (ev): -14.7675 -14.7675 -14.7092 -14.7092 -7.6035 -7.6035 -6.9762 -6.9762 -6.8797 -6.8797 -6.6741 -6.6741 -3.5682 -3.5682 -3.4580 -3.4580 -2.2584 -2.2584 -2.1061 -2.1061 -1.9993 -1.9993 -1.9220 -1.9220 0.8131 0.8131 1.2159 1.2159 1.4474 1.4474 1.8057 1.8057 1.9266 1.9266 2.2719 2.2719 2.3270 2.3270 2.3683 2.3683 2.5222 2.5222 2.6363 2.6363 3.0517 3.0517 3.9111 3.9111 4.1009 4.1009 4.4267 4.4267 4.4434 4.4434 5.0990 5.0990 5.2411 5.2411 5.5383 5.5383 5.8550 5.8550 5.9760 5.9760 6.4019 6.4019 6.6705 6.6705 9.3725 9.3725 k = 0.4900-0.1629 0.3248 ( 18582 PWs) bands (ev): -14.7676 -14.7676 -14.7090 -14.7090 -7.6032 -7.6032 -6.9765 -6.9765 -6.8798 -6.8798 -6.6741 -6.6741 -3.5687 -3.5687 -3.4573 -3.4573 -2.2592 -2.2592 -2.1039 -2.1039 -2.0007 -2.0007 -1.9215 -1.9215 0.8129 0.8129 1.2146 1.2146 1.4465 1.4465 1.8152 1.8152 1.9185 1.9185 2.2752 2.2752 2.3242 2.3242 2.3747 2.3747 2.5132 2.5132 2.6371 2.6371 3.0506 3.0506 3.9102 3.9102 4.1021 4.1021 4.4268 4.4268 4.4440 4.4440 5.0981 5.0981 5.2421 5.2421 5.5392 5.5392 5.8543 5.8543 5.9732 5.9732 6.4044 6.4044 6.6730 6.6730 9.3816 9.3816 k = 0.5000-0.1437 0.3177 ( 18590 PWs) bands (ev): -14.7677 -14.7677 -14.7090 -14.7090 -7.6031 -7.6031 -6.9766 -6.9766 -6.8799 -6.8799 -6.6741 -6.6741 -3.5688 -3.5688 -3.4571 -3.4571 -2.2595 -2.2595 -2.1031 -2.1031 -2.0011 -2.0011 -1.9214 -1.9214 0.8128 0.8128 1.2142 1.2142 1.4462 1.4462 1.8187 1.8187 1.9155 1.9155 2.2764 2.2764 2.3231 2.3231 2.3771 2.3771 2.5100 2.5100 2.6373 2.6373 3.0502 3.0502 3.9099 3.9099 4.1025 4.1025 4.4269 4.4269 4.4442 4.4442 5.0978 5.0978 5.2424 5.2424 5.5396 5.5396 5.8541 5.8541 5.9722 5.9722 6.4052 6.4052 6.6738 6.6738 9.3846 9.3846 k = 0.5000-0.1437 0.3177 ( 18590 PWs) bands (ev): -14.7677 -14.7677 -14.7090 -14.7090 -7.6031 -7.6031 -6.9766 -6.9766 -6.8799 -6.8799 -6.6741 -6.6741 -3.5688 -3.5688 -3.4571 -3.4571 -2.2595 -2.2595 -2.1031 -2.1031 -2.0011 -2.0011 -1.9214 -1.9214 0.8128 0.8128 1.2142 1.2142 1.4462 1.4462 1.8187 1.8187 1.9155 1.9155 2.2764 2.2764 2.3231 2.3231 2.3771 2.3771 2.5100 2.5100 2.6373 2.6373 3.0502 3.0502 3.9099 3.9099 4.1025 4.1025 4.4269 4.4269 4.4442 4.4442 5.0978 5.0978 5.2424 5.2424 5.5396 5.5396 5.8541 5.8541 5.9722 5.9722 6.4052 6.4052 6.6738 6.6738 9.3846 9.3846 k = 0.4914-0.1322 0.3364 ( 18586 PWs) bands (ev): -14.7677 -14.7677 -14.7090 -14.7090 -7.6026 -7.6026 -6.9766 -6.9766 -6.8799 -6.8799 -6.6748 -6.6748 -3.5690 -3.5690 -3.4570 -3.4570 -2.2599 -2.2599 -2.1031 -2.1031 -2.0013 -2.0013 -1.9214 -1.9214 0.8135 0.8135 1.2145 1.2145 1.4468 1.4468 1.8190 1.8190 1.9166 1.9166 2.2755 2.2755 2.3227 2.3227 2.3764 2.3764 2.5074 2.5074 2.6393 2.6393 3.0494 3.0494 3.9058 3.9058 4.1009 4.1009 4.4324 4.4324 4.4441 4.4441 5.0989 5.0989 5.2429 5.2429 5.5393 5.5393 5.8551 5.8551 5.9727 5.9727 6.4050 6.4050 6.6738 6.6738 9.3865 9.3865 k = 0.4828-0.1208 0.3552 ( 18576 PWs) bands (ev): -14.7676 -14.7676 -14.7089 -14.7089 -7.6010 -7.6010 -6.9767 -6.9767 -6.8800 -6.8800 -6.6767 -6.6767 -3.5695 -3.5695 -3.4569 -3.4569 -2.2608 -2.2608 -2.1029 -2.1029 -2.0020 -2.0020 -1.9214 -1.9214 0.8158 0.8158 1.2153 1.2153 1.4484 1.4484 1.8198 1.8198 1.9199 1.9199 2.2729 2.2729 2.3215 2.3215 2.3743 2.3743 2.5001 2.5001 2.6447 2.6447 3.0471 3.0471 3.8936 3.8936 4.0971 4.0971 4.4436 4.4436 4.4485 4.4485 5.1025 5.1025 5.2445 5.2445 5.5387 5.5387 5.8583 5.8583 5.9741 5.9741 6.4046 6.4046 6.6737 6.6737 9.3923 9.3923 k = 0.4741-0.1093 0.3739 ( 18588 PWs) bands (ev): -14.7675 -14.7675 -14.7088 -14.7088 -7.5984 -7.5984 -6.9769 -6.9769 -6.8802 -6.8802 -6.6799 -6.6799 -3.5704 -3.5704 -3.4568 -3.4568 -2.2624 -2.2624 -2.1025 -2.1025 -2.0030 -2.0030 -1.9215 -1.9215 0.8196 0.8196 1.2168 1.2168 1.4511 1.4511 1.8212 1.8212 1.9255 1.9255 2.2686 2.2686 2.3196 2.3196 2.3708 2.3708 2.4890 2.4890 2.6525 2.6525 3.0433 3.0433 3.8735 3.8735 4.0930 4.0930 4.4429 4.4429 4.4726 4.4726 5.1082 5.1082 5.2472 5.2472 5.5376 5.5376 5.8635 5.8635 5.9764 5.9764 6.4039 6.4039 6.6736 6.6736 9.4019 9.4019 k = 0.4655-0.0979 0.3927 ( 18598 PWs) bands (ev): -14.7674 -14.7674 -14.7087 -14.7087 -7.5947 -7.5947 -6.9772 -6.9772 -6.8804 -6.8804 -6.6844 -6.6844 -3.5717 -3.5717 -3.4566 -3.4566 -2.2647 -2.2647 -2.1021 -2.1021 -2.0044 -2.0044 -1.9217 -1.9217 0.8249 0.8249 1.2188 1.2188 1.4549 1.4549 1.8232 1.8232 1.9332 1.9332 2.2627 2.2627 2.3169 2.3169 2.3659 2.3659 2.4752 2.4752 2.6618 2.6618 3.0380 3.0380 3.8461 3.8461 4.0900 4.0900 4.4420 4.4420 4.5027 4.5027 5.1161 5.1161 5.2510 5.2510 5.5361 5.5361 5.8707 5.8707 5.9795 5.9795 6.4029 6.4029 6.6733 6.6733 9.4152 9.4152 k = 0.4569-0.0864 0.4114 ( 18596 PWs) bands (ev): -14.7672 -14.7672 -14.7086 -14.7086 -7.5900 -7.5900 -6.9776 -6.9776 -6.8807 -6.8807 -6.6901 -6.6901 -3.5733 -3.5733 -3.4563 -3.4563 -2.2675 -2.2675 -2.1016 -2.1016 -2.0061 -2.0061 -1.9219 -1.9219 0.8316 0.8316 1.2215 1.2215 1.4597 1.4597 1.8257 1.8257 1.9429 1.9429 2.2553 2.2553 2.3135 2.3135 2.3597 2.3597 2.4596 2.4596 2.6718 2.6718 3.0314 3.0314 3.8127 3.8127 4.0890 4.0890 4.4407 4.4407 4.5368 4.5368 5.1259 5.1259 5.2560 5.2560 5.5342 5.5342 5.8799 5.8799 5.9836 5.9836 6.4016 6.4016 6.6730 6.6730 9.4323 9.4323 k = 0.4483-0.0750 0.4302 ( 18608 PWs) bands (ev): -14.7670 -14.7670 -14.7084 -14.7084 -7.5843 -7.5843 -6.9781 -6.9781 -6.8809 -6.8809 -6.6970 -6.6970 -3.5751 -3.5751 -3.4560 -3.4560 -2.2708 -2.2708 -2.1009 -2.1009 -2.0080 -2.0080 -1.9224 -1.9224 0.8398 0.8398 1.2248 1.2248 1.4655 1.4655 1.8287 1.8287 1.9547 1.9547 2.2465 2.2465 2.3092 2.3092 2.3521 2.3521 2.4427 2.4427 2.6819 2.6819 3.0234 3.0234 3.7744 3.7744 4.0901 4.0901 4.4391 4.4391 4.5736 4.5736 5.1374 5.1374 5.2623 5.2623 5.5320 5.5320 5.8908 5.8908 5.9885 5.9885 6.4001 6.4001 6.6725 6.6725 9.4530 9.4530 k = 0.4397-0.0636 0.4489 ( 18602 PWs) bands (ev): -14.7667 -14.7667 -14.7082 -14.7082 -7.5776 -7.5776 -6.9788 -6.9788 -6.8812 -6.8812 -6.7051 -6.7051 -3.5773 -3.5773 -3.4556 -3.4556 -2.2746 -2.2746 -2.1002 -2.1002 -2.0101 -2.0101 -1.9230 -1.9230 0.8493 0.8493 1.2288 1.2288 1.4723 1.4723 1.8323 1.8323 1.9683 1.9683 2.2363 2.2363 2.3040 2.3040 2.3433 2.3433 2.4251 2.4251 2.6918 2.6918 3.0142 3.0142 3.7326 3.7326 4.0929 4.0929 4.4372 4.4372 4.6119 4.6119 5.1501 5.1501 5.2700 5.2700 5.5294 5.5294 5.9034 5.9034 5.9943 5.9943 6.3985 6.3985 6.6717 6.6717 9.4773 9.4773 k = 0.4310-0.0521 0.4676 ( 18596 PWs) bands (ev): -14.7665 -14.7665 -14.7080 -14.7080 -7.5699 -7.5699 -6.9796 -6.9796 -6.8814 -6.8814 -6.7143 -6.7143 -3.5797 -3.5797 -3.4552 -3.4552 -2.2788 -2.2788 -2.0994 -2.0994 -2.0123 -2.0123 -1.9239 -1.9239 0.8602 0.8602 1.2335 1.2335 1.4799 1.4799 1.8364 1.8364 1.9837 1.9837 2.2250 2.2250 2.2977 2.2977 2.3333 2.3333 2.4071 2.4071 2.7013 2.7013 3.0039 3.0039 3.6880 3.6880 4.0972 4.0972 4.4349 4.4349 4.6512 4.6512 5.1636 5.1636 5.2795 5.2795 5.5264 5.5264 5.9173 5.9173 6.0011 6.0011 6.3967 6.3967 6.6707 6.6707 9.5050 9.5050 k = 0.4224-0.0407 0.4864 ( 18596 PWs) bands (ev): -14.7662 -14.7662 -14.7077 -14.7077 -7.5614 -7.5614 -6.9805 -6.9805 -6.8815 -6.8815 -6.7245 -6.7245 -3.5823 -3.5823 -3.4548 -3.4548 -2.2833 -2.2833 -2.0986 -2.0986 -2.0146 -2.0146 -1.9250 -1.9250 0.8723 0.8723 1.2389 1.2389 1.4885 1.4885 1.8409 1.8409 2.0007 2.0007 2.2127 2.2127 2.2902 2.2902 2.3222 2.3222 2.3891 2.3891 2.7103 2.7103 2.9926 2.9926 3.6415 3.6415 4.1027 4.1027 4.4323 4.4323 4.6909 4.6909 5.1775 5.1775 5.2910 5.2910 5.5231 5.5231 5.9321 5.9321 6.0092 6.0092 6.3949 6.3949 6.6693 6.6693 9.5359 9.5359 k = 0.4138-0.0292 0.5051 ( 18592 PWs) bands (ev): -14.7658 -14.7658 -14.7075 -14.7075 -7.5519 -7.5519 -6.9817 -6.9817 -6.8815 -6.8815 -6.7358 -6.7358 -3.5851 -3.5851 -3.4544 -3.4544 -2.2882 -2.2882 -2.0977 -2.0977 -2.0168 -2.0168 -1.9264 -1.9264 0.8856 0.8856 1.2451 1.2451 1.4979 1.4979 1.8459 1.8459 2.0192 2.0192 2.1995 2.1995 2.2811 2.2811 2.3103 2.3103 2.3716 2.3716 2.7186 2.7186 2.9804 2.9804 3.5936 3.5936 4.1092 4.1092 4.4294 4.4294 4.7307 4.7307 5.1911 5.1911 5.3046 5.3046 5.5195 5.5195 5.9474 5.9474 6.0188 6.0188 6.3931 6.3931 6.6676 6.6676 9.5700 9.5700 k = 0.4052-0.0178 0.5239 ( 18578 PWs) bands (ev): -14.7655 -14.7655 -14.7072 -14.7072 -7.5415 -7.5415 -6.9830 -6.9830 -6.8814 -6.8814 -6.7481 -6.7481 -3.5881 -3.5881 -3.4540 -3.4540 -2.2933 -2.2933 -2.0968 -2.0968 -2.0191 -2.0191 -1.9281 -1.9281 0.8999 0.8999 1.2520 1.2520 1.5080 1.5080 1.8512 1.8512 2.0391 2.0391 2.1857 2.1857 2.2700 2.2700 2.2977 2.2977 2.3552 2.3552 2.7262 2.7262 2.9675 2.9675 3.5447 3.5447 4.1164 4.1164 4.4261 4.4261 4.7703 4.7703 5.2040 5.2040 5.3205 5.3205 5.5156 5.5156 5.9623 5.9623 6.0305 6.0305 6.3914 6.3914 6.6654 6.6654 9.6069 9.6069 k = 0.3966-0.0063 0.5426 ( 18576 PWs) bands (ev): -14.7652 -14.7652 -14.7069 -14.7069 -7.5304 -7.5304 -6.9845 -6.9845 -6.8812 -6.8812 -6.7613 -6.7613 -3.5911 -3.5911 -3.4536 -3.4536 -2.2986 -2.2986 -2.0959 -2.0959 -2.0212 -2.0212 -1.9300 -1.9300 0.9153 0.9153 1.2595 1.2595 1.5189 1.5189 1.8568 1.8568 2.0600 2.0600 2.1716 2.1716 2.2569 2.2569 2.2843 2.2843 2.3404 2.3404 2.7330 2.7330 2.9540 2.9540 3.4950 3.4950 4.1243 4.1243 4.4226 4.4226 4.8096 4.8096 5.2158 5.2158 5.3388 5.3388 5.5112 5.5112 5.9761 5.9761 6.0450 6.0450 6.3899 6.3899 6.6627 6.6627 9.6465 9.6465 k = 0.3879 0.0051 0.5614 ( 18580 PWs) bands (ev): -14.7648 -14.7648 -14.7066 -14.7066 -7.5185 -7.5185 -6.9861 -6.9861 -6.8809 -6.8809 -6.7752 -6.7752 -3.5943 -3.5943 -3.4533 -3.4533 -2.3039 -2.3039 -2.0950 -2.0950 -2.0233 -2.0233 -1.9321 -1.9321 0.9314 0.9314 1.2678 1.2678 1.5304 1.5304 1.8625 1.8625 2.0814 2.0814 2.1578 2.1578 2.2419 2.2419 2.2698 2.2698 2.3276 2.3276 2.7390 2.7390 2.9401 2.9401 3.4449 3.4449 4.1326 4.1326 4.4187 4.4187 4.8482 4.8482 5.2263 5.2263 5.3592 5.3592 5.5065 5.5065 5.9880 5.9880 6.0625 6.0625 6.3888 6.3888 6.6594 6.6594 9.6883 9.6883 k = 0.3793 0.0166 0.5801 ( 18582 PWs) bands (ev): -14.7644 -14.7644 -14.7063 -14.7063 -7.5060 -7.5060 -6.9879 -6.9879 -6.8804 -6.8804 -6.7899 -6.7899 -3.5975 -3.5975 -3.4529 -3.4529 -2.3093 -2.3093 -2.0941 -2.0941 -2.0253 -2.0253 -1.9344 -1.9344 0.9483 0.9483 1.2767 1.2767 1.5425 1.5425 1.8683 1.8683 2.1007 2.1007 2.1469 2.1469 2.2256 2.2256 2.2541 2.2541 2.3168 2.3168 2.7443 2.7443 2.9259 2.9259 3.3946 3.3946 4.1412 4.1412 4.4146 4.4146 4.8862 4.8862 5.2357 5.2357 5.3813 5.3813 5.5015 5.5015 5.9981 5.9981 6.0830 6.0830 6.3880 6.3880 6.6554 6.6554 9.7322 9.7322 k = 0.3707 0.0280 0.5989 ( 18578 PWs) bands (ev): -14.7640 -14.7640 -14.7060 -14.7060 -7.4928 -7.4928 -6.9898 -6.9898 -6.8798 -6.8798 -6.8052 -6.8052 -3.6007 -3.6007 -3.4525 -3.4525 -2.3147 -2.3147 -2.0933 -2.0933 -2.0271 -2.0271 -1.9369 -1.9369 0.9657 0.9657 1.2861 1.2861 1.5551 1.5551 1.8739 1.8739 2.1083 2.1083 2.1484 2.1484 2.2087 2.2087 2.2374 2.2374 2.3077 2.3077 2.7489 2.7489 2.9115 2.9115 3.3443 3.3443 4.1500 4.1500 4.4103 4.4103 4.9234 4.9234 5.2438 5.2438 5.4044 5.4044 5.4961 5.4961 6.0064 6.0064 6.1060 6.1060 6.3879 6.3879 6.6508 6.6508 9.7776 9.7776 k = 0.3621 0.0395 0.6176 ( 18582 PWs) bands (ev): -14.7637 -14.7637 -14.7057 -14.7057 -7.4792 -7.4792 -6.9918 -6.9918 -6.8791 -6.8791 -6.8209 -6.8209 -3.6039 -3.6039 -3.4522 -3.4522 -2.3200 -2.3200 -2.0924 -2.0924 -2.0287 -2.0287 -1.9394 -1.9394 0.9835 0.9835 1.2960 1.2960 1.5682 1.5682 1.8791 1.8791 2.0997 2.0997 2.1657 2.1657 2.1923 2.1923 2.2206 2.2206 2.3001 2.3001 2.7527 2.7527 2.8972 2.8972 3.2940 3.2940 4.1590 4.1590 4.4058 4.4058 4.9597 4.9597 5.2509 5.2509 5.4277 5.4277 5.4908 5.4908 6.0133 6.0133 6.1308 6.1308 6.3884 6.3884 6.6453 6.6453 9.8243 9.8243 k = 0.3534 0.0509 0.6363 ( 18572 PWs) bands (ev): -14.7633 -14.7633 -14.7054 -14.7054 -7.4651 -7.4651 -6.9939 -6.9939 -6.8783 -6.8783 -6.8371 -6.8371 -3.6071 -3.6071 -3.4518 -3.4518 -2.3252 -2.3252 -2.0916 -2.0916 -2.0302 -2.0302 -1.9421 -1.9421 1.0015 1.0015 1.3062 1.3062 1.5818 1.5818 1.8836 1.8836 2.0862 2.0862 2.1716 2.1716 2.1869 2.1869 2.2100 2.2100 2.2936 2.2936 2.7558 2.7558 2.8832 2.8832 3.2440 3.2440 4.1679 4.1679 4.4011 4.4011 4.9950 4.9950 5.2570 5.2570 5.4492 5.4492 5.4871 5.4871 6.0189 6.0189 6.1569 6.1569 6.3896 6.3896 6.6391 6.6391 9.8716 9.8716 k = 0.3448 0.0624 0.6551 ( 18566 PWs) bands (ev): -14.7629 -14.7629 -14.7051 -14.7051 -7.4507 -7.4507 -6.9959 -6.9959 -6.8775 -6.8775 -6.8535 -6.8535 -3.6101 -3.6101 -3.4515 -3.4515 -2.3302 -2.3302 -2.0909 -2.0909 -2.0315 -2.0315 -1.9448 -1.9448 1.0195 1.0195 1.3167 1.3167 1.5957 1.5957 1.8872 1.8872 2.0720 2.0720 2.1570 2.1570 2.1768 2.1768 2.2269 2.2269 2.2882 2.2882 2.7582 2.7582 2.8695 2.8695 3.1944 3.1944 4.1767 4.1767 4.3964 4.3964 5.0293 5.0293 5.2623 5.2623 5.4613 5.4613 5.4920 5.4920 6.0236 6.0236 6.1838 6.1838 6.3915 6.3915 6.6320 6.6320 9.9192 9.9192 k = 0.3362 0.0738 0.6738 ( 18574 PWs) bands (ev): -14.7626 -14.7626 -14.7048 -14.7048 -7.4361 -7.4361 -6.9980 -6.9980 -6.8768 -6.8768 -6.8698 -6.8698 -3.6130 -3.6130 -3.4512 -3.4512 -2.3349 -2.3349 -2.0902 -2.0902 -2.0327 -2.0327 -1.9474 -1.9474 1.0371 1.0371 1.3274 1.3274 1.6099 1.6099 1.8894 1.8894 2.0579 2.0579 2.1424 2.1424 2.1592 2.1592 2.2527 2.2527 2.2846 2.2846 2.7599 2.7599 2.8565 2.8565 3.1453 3.1453 4.1853 4.1853 4.3915 4.3915 5.0624 5.0624 5.2668 5.2668 5.4592 5.4592 5.5099 5.5099 6.0272 6.0272 6.2112 6.2112 6.3943 6.3943 6.6240 6.6240 9.9664 9.9664 k = 0.3276 0.0853 0.6926 ( 18564 PWs) bands (ev): -14.7623 -14.7623 -14.7046 -14.7046 -7.4216 -7.4216 -7.0000 -7.0000 -6.8866 -6.8866 -6.8755 -6.8755 -3.6158 -3.6158 -3.4510 -3.4510 -2.3393 -2.3393 -2.0896 -2.0896 -2.0337 -2.0337 -1.9500 -1.9500 1.0543 1.0543 1.3379 1.3379 1.6243 1.6243 1.8898 1.8898 2.0444 2.0444 2.1289 2.1289 2.1413 2.1413 2.2699 2.2699 2.2922 2.2922 2.7609 2.7609 2.8442 2.8442 3.0970 3.0970 4.1937 4.1937 4.3867 4.3867 5.0944 5.0944 5.2706 5.2706 5.4518 5.4518 5.5314 5.5314 6.0300 6.0300 6.2386 6.2386 6.3978 6.3978 6.6151 6.6151 10.0127 10.0127 k = 0.3190 0.0967 0.7113 ( 18564 PWs) bands (ev): -14.7620 -14.7620 -14.7043 -14.7043 -7.4072 -7.4072 -7.0019 -7.0019 -6.9025 -6.9025 -6.8747 -6.8747 -3.6184 -3.6184 -3.4507 -3.4507 -2.3435 -2.3435 -2.0891 -2.0891 -2.0345 -2.0345 -1.9524 -1.9524 1.0708 1.0708 1.3483 1.3483 1.6389 1.6389 1.8881 1.8881 2.0318 2.0318 2.1160 2.1160 2.1253 2.1253 2.2694 2.2694 2.3191 2.3191 2.7614 2.7614 2.8330 2.8330 3.0497 3.0497 4.2017 4.2017 4.3819 4.3819 5.1251 5.1251 5.2738 5.2738 5.4425 5.4425 5.5526 5.5526 6.0320 6.0320 6.2658 6.2658 6.4020 6.4020 6.6052 6.6052 10.0573 10.0573 k = 0.3103 0.1082 0.7301 ( 18562 PWs) bands (ev): -14.7617 -14.7617 -14.7041 -14.7041 -7.3933 -7.3933 -7.0036 -7.0036 -6.9180 -6.9180 -6.8738 -6.8738 -3.6207 -3.6207 -3.4505 -3.4505 -2.3472 -2.3472 -2.0886 -2.0886 -2.0351 -2.0351 -1.9547 -1.9547 1.0862 1.0862 1.3582 1.3582 1.6535 1.6535 1.8843 1.8843 2.0204 2.0204 2.1012 2.1012 2.1141 2.1141 2.2660 2.2660 2.3500 2.3500 2.7611 2.7611 2.8231 2.8231 3.0035 3.0035 4.2092 4.2092 4.3773 4.3773 5.1545 5.1545 5.2764 5.2764 5.4320 5.4320 5.5726 5.5726 6.0333 6.0333 6.2922 6.2922 6.4069 6.4069 6.5943 6.5943 10.0997 10.0997 k = 0.3017 0.1196 0.7488 ( 18556 PWs) bands (ev): -14.7615 -14.7615 -14.7039 -14.7039 -7.3801 -7.3801 -7.0052 -7.0052 -6.9326 -6.9326 -6.8731 -6.8731 -3.6228 -3.6228 -3.4503 -3.4503 -2.3505 -2.3505 -2.0883 -2.0883 -2.0357 -2.0357 -1.9568 -1.9568 1.1003 1.1003 1.3674 1.3674 1.6680 1.6680 1.8782 1.8782 2.0103 2.0103 2.0857 2.0857 2.1071 2.1071 2.2625 2.2625 2.3817 2.3817 2.7603 2.7603 2.8146 2.8146 2.9588 2.9588 4.2161 4.2161 4.3729 4.3729 5.1826 5.1826 5.2785 5.2785 5.4204 5.4204 5.5908 5.5908 6.0340 6.0340 6.3176 6.3176 6.4123 6.4123 6.5824 6.5824 10.1389 10.1389 k = 0.2931 0.1310 0.7676 ( 18550 PWs) bands (ev): -14.7613 -14.7613 -14.7037 -14.7037 -7.3679 -7.3679 -7.0066 -7.0066 -6.9460 -6.9460 -6.8723 -6.8723 -3.6246 -3.6246 -3.4501 -3.4501 -2.3533 -2.3533 -2.0880 -2.0880 -2.0361 -2.0361 -1.9586 -1.9586 1.1128 1.1128 1.3758 1.3758 1.6822 1.6822 1.8704 1.8704 2.0018 2.0018 2.0711 2.0711 2.1027 2.1027 2.2592 2.2592 2.4134 2.4134 2.7589 2.7589 2.8077 2.8077 2.9161 2.9161 4.2223 4.2223 4.3689 4.3689 5.2092 5.2092 5.2803 5.2803 5.4078 5.4078 5.6068 5.6068 6.0342 6.0342 6.3411 6.3411 6.4186 6.4186 6.5695 6.5695 10.1743 10.1743 k = 0.2845 0.1425 0.7863 ( 18542 PWs) bands (ev): -14.7611 -14.7611 -14.7036 -14.7036 -7.3571 -7.3571 -7.0078 -7.0078 -6.9578 -6.9578 -6.8717 -6.8717 -3.6262 -3.6262 -3.4500 -3.4500 -2.3557 -2.3557 -2.0877 -2.0877 -2.0363 -2.0363 -1.9602 -1.9602 1.1235 1.1235 1.3831 1.3831 1.6958 1.6958 1.8613 1.8613 1.9947 1.9947 2.0583 2.0583 2.1001 2.1001 2.2563 2.2563 2.4444 2.4444 2.7571 2.7571 2.8024 2.8024 2.8761 2.8761 4.2277 4.2277 4.3653 4.3653 5.2341 5.2341 5.2820 5.2820 5.3940 5.3940 5.6204 5.6204 6.0341 6.0341 6.3620 6.3620 6.4260 6.4260 6.5557 6.5557 10.2049 10.2049 k = 0.2759 0.1539 0.8051 ( 18540 PWs) bands (ev): -14.7609 -14.7609 -14.7035 -14.7035 -7.3481 -7.3481 -7.0088 -7.0088 -6.9675 -6.9675 -6.8713 -6.8713 -3.6274 -3.6274 -3.4499 -3.4499 -2.3576 -2.3576 -2.0875 -2.0875 -2.0365 -2.0365 -1.9614 -1.9614 1.1320 1.1320 1.3890 1.3890 1.7082 1.7082 1.8520 1.8520 1.9893 1.9893 2.0476 2.0476 2.0988 2.0988 2.2539 2.2539 2.4734 2.4734 2.7552 2.7552 2.7986 2.7986 2.8402 2.8402 4.2322 4.2322 4.3623 4.3623 5.2566 5.2566 5.2843 5.2843 5.3792 5.3792 5.6313 5.6313 6.0339 6.0339 6.3788 6.3788 6.4353 6.4353 6.5413 6.5413 10.2297 10.2297 k = 0.2672 0.1654 0.8238 ( 18540 PWs) bands (ev): -14.7608 -14.7608 -14.7034 -14.7034 -7.3412 -7.3412 -7.0095 -7.0095 -6.9749 -6.9749 -6.8709 -6.8709 -3.6282 -3.6282 -3.4498 -3.4498 -2.3590 -2.3590 -2.0874 -2.0874 -2.0367 -2.0367 -1.9624 -1.9624 1.1383 1.1383 1.3935 1.3935 1.7186 1.7186 1.8435 1.8435 1.9854 1.9854 2.0397 2.0397 2.0983 2.0983 2.2521 2.2521 2.4983 2.4983 2.7534 2.7534 2.7960 2.7960 2.8105 2.8105 4.2355 4.2355 4.3600 4.3600 5.2730 5.2730 5.2909 5.2909 5.3633 5.3633 5.6392 5.6392 6.0336 6.0336 6.3905 6.3905 6.4469 6.4469 6.5268 6.5268 10.2479 10.2482 k = 0.2586 0.1768 0.8425 ( 18534 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3370 -7.3370 -7.0099 -7.0099 -6.9795 -6.9795 -6.8707 -6.8707 -3.6288 -3.6288 -3.4498 -3.4498 -2.3598 -2.3598 -2.0873 -2.0873 -2.0368 -2.0368 -1.9629 -1.9629 1.1422 1.1422 1.3962 1.3962 1.7258 1.7258 1.8374 1.8374 1.9831 1.9831 2.0348 2.0348 2.0982 2.0982 2.2510 2.2510 2.5159 2.5159 2.7522 2.7522 2.7894 2.7894 2.7952 2.7952 4.2375 4.2375 4.3586 4.3586 5.2782 5.2782 5.3063 5.3063 5.3469 5.3469 5.6440 5.6440 6.0334 6.0334 6.3969 6.3969 6.4589 6.4589 6.5137 6.5137 10.2587 10.2595 k = 0.2500 0.1883 0.8613 ( 18524 PWs) bands (ev): -14.7608 -14.7608 -14.7033 -14.7033 -7.3355 -7.3355 -7.0100 -7.0100 -6.9811 -6.9811 -6.8706 -6.8706 -3.6289 -3.6289 -3.4497 -3.4497 -2.3600 -2.3600 -2.0873 -2.0873 -2.0368 -2.0368 -1.9631 -1.9631 1.1435 1.1435 1.3971 1.3971 1.7285 1.7285 1.8351 1.8351 1.9823 1.9823 2.0331 2.0331 2.0981 2.0981 2.2506 2.2506 2.5224 2.5224 2.7518 2.7518 2.7822 2.7822 2.7945 2.7945 4.2382 4.2382 4.3581 4.3581 5.2791 5.2791 5.3187 5.3187 5.3351 5.3351 5.6457 5.6457 6.0333 6.0333 6.3989 6.3989 6.4649 6.4649 6.5074 6.5074 10.2622 10.2624 k = 0.1418-0.1883 0.8613 ( 18571 PWs) bands (ev): -14.7587 -14.7587 -14.7072 -14.7072 -7.3691 -7.3691 -7.0481 -7.0481 -6.9757 -6.9757 -6.7765 -6.7765 -3.6090 -3.6090 -3.4826 -3.4826 -2.3241 -2.3241 -2.1498 -2.1498 -2.0302 -2.0302 -1.9858 -1.9858 1.0070 1.0070 1.1180 1.1180 1.8412 1.8412 1.9823 1.9823 2.0162 2.0162 2.0762 2.0762 2.1997 2.1997 2.2996 2.2996 2.4848 2.4848 2.8008 2.8008 2.8071 2.8071 2.9635 2.9635 4.1988 4.1988 4.3384 4.3384 5.1768 5.1768 5.3323 5.3323 5.4486 5.4486 5.6039 5.6039 6.1660 6.1660 6.3280 6.3280 6.4186 6.4186 6.6002 6.6002 9.4439 9.4439 k = 0.1504-0.1997 0.8426 ( 18565 PWs) bands (ev): -14.7584 -14.7584 -14.7079 -14.7079 -7.3836 -7.3836 -7.0362 -7.0362 -6.9749 -6.9749 -6.7736 -6.7736 -3.6051 -3.6051 -3.4836 -3.4836 -2.3180 -2.3180 -2.1519 -2.1519 -2.0257 -2.0257 -1.9852 -1.9852 0.9868 0.9868 1.1119 1.1119 1.8437 1.8437 1.9637 1.9637 2.0265 2.0265 2.0788 2.0788 2.2081 2.2081 2.3132 2.3132 2.4544 2.4544 2.8100 2.8100 2.8136 2.8136 3.0081 3.0081 4.1888 4.1888 4.3462 4.3462 5.1494 5.1494 5.3223 5.3223 5.4569 5.4569 5.6006 5.6006 6.1641 6.1641 6.3112 6.3112 6.4085 6.4085 6.6095 6.6095 9.4407 9.4407 k = 0.1590-0.2111 0.8239 ( 18569 PWs) bands (ev): -14.7582 -14.7582 -14.7086 -14.7086 -7.3990 -7.3990 -7.0233 -7.0233 -6.9741 -6.9741 -6.7704 -6.7704 -3.6010 -3.6010 -3.4846 -3.4846 -2.3117 -2.3117 -2.1540 -2.1540 -2.0217 -2.0217 -1.9839 -1.9839 0.9675 0.9675 1.1069 1.1069 1.8412 1.8412 1.9421 1.9421 2.0390 2.0390 2.0852 2.0852 2.2162 2.2162 2.3269 2.3269 2.4254 2.4254 2.8137 2.8137 2.8274 2.8274 3.0541 3.0541 4.1784 4.1784 4.3539 4.3539 5.1207 5.1207 5.3119 5.3119 5.4628 5.4628 5.5959 5.5959 6.1598 6.1598 6.2948 6.2948 6.3975 6.3975 6.6167 6.6167 9.4404 9.4404 k = 0.1676-0.2225 0.8052 ( 18571 PWs) bands (ev): -14.7580 -14.7580 -14.7093 -14.7093 -7.4150 -7.4150 -7.0099 -7.0099 -6.9732 -6.9732 -6.7669 -6.7669 -3.5969 -3.5969 -3.4857 -3.4857 -2.3052 -2.3052 -2.1562 -2.1562 -2.0182 -2.0182 -1.9820 -1.9820 0.9491 0.9491 1.1033 1.1033 1.8343 1.8343 1.9197 1.9197 2.0517 2.0517 2.0946 2.0946 2.2234 2.2234 2.3404 2.3404 2.3987 2.3987 2.8175 2.8175 2.8425 2.8425 3.1012 3.1012 4.1679 4.1679 4.3616 4.3616 5.0908 5.0908 5.3011 5.3011 5.4658 5.4658 5.5904 5.5904 6.1527 6.1527 6.2793 6.2793 6.3859 6.3859 6.6216 6.6216 9.4435 9.4435 k = 0.1762-0.2339 0.7865 ( 18574 PWs) bands (ev): -14.7579 -14.7579 -14.7100 -14.7100 -7.4312 -7.4312 -6.9964 -6.9964 -6.9723 -6.9723 -6.7630 -6.7630 -3.5928 -3.5928 -3.4867 -3.4867 -2.2986 -2.2986 -2.1585 -2.1585 -2.0151 -2.0151 -1.9794 -1.9794 0.9318 0.9318 1.1013 1.1013 1.8239 1.8239 1.8969 1.8969 2.0641 2.0641 2.1058 2.1058 2.2295 2.2295 2.3516 2.3516 2.3771 2.3771 2.8215 2.8215 2.8586 2.8586 3.1493 3.1493 4.1573 4.1573 4.3691 4.3691 5.0598 5.0598 5.2901 5.2901 5.4654 5.4654 5.5847 5.5847 6.1425 6.1425 6.2655 6.2655 6.3738 6.3738 6.6243 6.6243 9.4502 9.4502 k = 0.1848-0.2453 0.7678 ( 18580 PWs) bands (ev): -14.7578 -14.7578 -14.7107 -14.7107 -7.4474 -7.4474 -6.9831 -6.9831 -6.9712 -6.9712 -6.7588 -6.7588 -3.5886 -3.5886 -3.4878 -3.4878 -2.2920 -2.2920 -2.1609 -2.1609 -2.0125 -2.0125 -1.9763 -1.9763 0.9155 0.9155 1.1010 1.1010 1.8109 1.8109 1.8741 1.8741 2.0762 2.0762 2.1180 2.1180 2.2335 2.2335 2.3458 2.3458 2.3762 2.3762 2.8256 2.8256 2.8756 2.8756 3.1982 3.1982 4.1467 4.1467 4.3764 4.3764 5.0275 5.0275 5.2791 5.2791 5.4614 5.4614 5.5792 5.5792 6.1291 6.1291 6.2535 6.2535 6.3614 6.3614 6.6249 6.6249 9.4605 9.4605 k = 0.1934-0.2568 0.7491 ( 18574 PWs) bands (ev): -14.7577 -14.7577 -14.7114 -14.7114 -7.4634 -7.4634 -6.9719 -6.9719 -6.9683 -6.9683 -6.7543 -6.7543 -3.5845 -3.5845 -3.4889 -3.4889 -2.2853 -2.2853 -2.1634 -2.1634 -2.0102 -2.0102 -1.9728 -1.9728 0.9003 0.9003 1.1025 1.1025 1.7959 1.7959 1.8514 1.8514 2.0877 2.0877 2.1301 2.1301 2.2342 2.2342 2.3310 2.3310 2.3896 2.3896 2.8297 2.8297 2.8932 2.8932 3.2479 3.2479 4.1362 4.1362 4.3832 4.3832 4.9940 4.9940 5.2681 5.2681 5.4534 5.4534 5.5745 5.5745 6.1127 6.1127 6.2435 6.2435 6.3490 6.3490 6.6234 6.6234 9.4731 9.4731 k = 0.2020-0.2682 0.7305 ( 18582 PWs) bands (ev): -14.7577 -14.7577 -14.7121 -14.7121 -7.4791 -7.4791 -6.9697 -6.9697 -6.9569 -6.9569 -6.7493 -6.7493 -3.5805 -3.5805 -3.4900 -3.4900 -2.2787 -2.2787 -2.1660 -2.1660 -2.0081 -2.0081 -1.9691 -1.9691 0.8863 0.8863 1.1058 1.1058 1.7794 1.7794 1.8291 1.8291 2.0987 2.0987 2.1415 2.1415 2.2302 2.2302 2.3207 2.3207 2.4050 2.4050 2.8335 2.8335 2.9113 2.9113 3.2982 3.2982 4.1258 4.1258 4.3897 4.3897 4.9594 4.9594 5.2572 5.2572 5.4416 5.4416 5.5706 5.5706 6.0940 6.0940 6.2351 6.2351 6.3366 6.3366 6.6202 6.6202 9.4489 9.4489 k = 0.2106-0.2796 0.7118 ( 18575 PWs) bands (ev): -14.7577 -14.7577 -14.7128 -14.7128 -7.4943 -7.4943 -6.9686 -6.9686 -6.9452 -6.9452 -6.7440 -6.7440 -3.5765 -3.5765 -3.4912 -3.4912 -2.2722 -2.2722 -2.1686 -2.1686 -2.0062 -2.0062 -1.9653 -1.9653 0.8733 0.8733 1.1110 1.1110 1.7619 1.7619 1.8072 1.8072 2.1092 2.1092 2.1518 2.1518 2.2213 2.2213 2.3164 2.3164 2.4213 2.4213 2.8371 2.8371 2.9297 2.9297 3.3489 3.3489 4.1155 4.1155 4.3955 4.3955 4.9237 4.9237 5.2465 5.2465 5.4266 5.4266 5.5674 5.5674 6.0738 6.0738 6.2281 6.2281 6.3245 6.3245 6.6154 6.6154 9.3999 9.3999 k = 0.2192-0.2910 0.6931 ( 18581 PWs) bands (ev): -14.7577 -14.7577 -14.7135 -14.7135 -7.5089 -7.5089 -6.9676 -6.9676 -6.9341 -6.9341 -6.7383 -6.7383 -3.5726 -3.5726 -3.4925 -3.4925 -2.2658 -2.2658 -2.1713 -2.1713 -2.0044 -2.0044 -1.9615 -1.9615 0.8614 0.8614 1.1179 1.1179 1.7436 1.7436 1.7859 1.7859 2.1191 2.1191 2.1604 2.1604 2.2092 2.2092 2.3171 2.3171 2.4382 2.4382 2.8402 2.8402 2.9481 2.9481 3.4000 3.4000 4.1055 4.1055 4.4008 4.4008 4.8869 4.8869 5.2362 5.2362 5.4090 5.4090 5.5648 5.5648 6.0527 6.0527 6.2219 6.2219 6.3127 6.3127 6.6093 6.6093 9.3522 9.3522 k = 0.2278-0.3024 0.6744 ( 18587 PWs) bands (ev): -14.7577 -14.7577 -14.7141 -14.7141 -7.5228 -7.5228 -6.9666 -6.9666 -6.9240 -6.9240 -6.7323 -6.7323 -3.5688 -3.5688 -3.4937 -3.4937 -2.2596 -2.2596 -2.1739 -2.1739 -2.0027 -2.0027 -1.9579 -1.9579 0.8505 0.8505 1.1266 1.1266 1.7247 1.7247 1.7654 1.7654 2.1284 2.1284 2.1664 2.1664 2.1968 2.1968 2.3207 2.3207 2.4554 2.4554 2.8428 2.8428 2.9665 2.9665 3.4513 3.4513 4.0957 4.0957 4.4054 4.4054 4.8492 4.8492 5.2261 5.2261 5.3894 5.3894 5.5623 5.5623 6.0314 6.0314 6.2165 6.2165 6.3016 6.3016 6.6022 6.6022 9.3065 9.3065 k = 0.2363-0.3138 0.6557 ( 18591 PWs) bands (ev): -14.7577 -14.7577 -14.7147 -14.7147 -7.5360 -7.5360 -6.9657 -6.9657 -6.9148 -6.9148 -6.7261 -6.7261 -3.5652 -3.5652 -3.4950 -3.4950 -2.2537 -2.2537 -2.1766 -2.1766 -2.0010 -2.0010 -1.9544 -1.9544 0.8407 0.8407 1.1369 1.1369 1.7054 1.7054 1.7457 1.7457 2.1369 2.1369 2.1666 2.1666 2.1886 2.1886 2.3259 2.3259 2.4729 2.4729 2.8447 2.8447 2.9846 2.9846 3.5027 3.5027 4.0863 4.0863 4.4094 4.4094 4.8106 4.8106 5.2165 5.2165 5.3685 5.3685 5.5599 5.5599 6.0104 6.0104 6.2115 6.2115 6.2910 6.2910 6.5944 6.5944 9.2634 9.2634 k = 0.2449-0.3252 0.6370 ( 18597 PWs) bands (ev): -14.7578 -14.7578 -14.7153 -14.7153 -7.5484 -7.5484 -6.9647 -6.9647 -6.9066 -6.9066 -6.7198 -6.7198 -3.5617 -3.5617 -3.4963 -3.4963 -2.2480 -2.2480 -2.1791 -2.1791 -1.9994 -1.9994 -1.9511 -1.9511 0.8319 0.8319 1.1488 1.1488 1.6858 1.6858 1.7270 1.7270 2.1436 2.1436 2.1597 2.1597 2.1881 2.1881 2.3319 2.3319 2.4905 2.4905 2.8459 2.8459 3.0023 3.0023 3.5540 3.5540 4.0772 4.0772 4.4126 4.4126 4.7713 4.7713 5.2073 5.2073 5.3470 5.3470 5.5575 5.5575 5.9903 5.9903 6.2070 6.2070 6.2812 6.2812 6.5861 6.5861 9.2230 9.2230 k = 0.2535-0.3367 0.6183 ( 18599 PWs) bands (ev): -14.7578 -14.7578 -14.7159 -14.7159 -7.5598 -7.5598 -6.9639 -6.9639 -6.8993 -6.8993 -6.7134 -6.7134 -3.5584 -3.5584 -3.4976 -3.4976 -2.2427 -2.2427 -2.1816 -2.1816 -1.9978 -1.9978 -1.9480 -1.9480 0.8240 0.8240 1.1620 1.1620 1.6660 1.6660 1.7094 1.7094 2.1412 2.1412 2.1581 2.1581 2.1904 2.1904 2.3382 2.3382 2.5080 2.5080 2.8463 2.8463 3.0193 3.0193 3.6050 3.6050 4.0687 4.0687 4.4151 4.4151 4.7313 4.7313 5.1987 5.1987 5.3253 5.3253 5.5549 5.5549 5.9712 5.9712 6.2027 6.2027 6.2721 6.2721 6.5776 6.5776 9.1855 9.1855 k = 0.2621-0.3481 0.5996 ( 18593 PWs) bands (ev): -14.7579 -14.7579 -14.7164 -14.7164 -7.5703 -7.5703 -6.9631 -6.9631 -6.8929 -6.8929 -6.7071 -6.7071 -3.5553 -3.5553 -3.4989 -3.4989 -2.2378 -2.2378 -2.1840 -2.1840 -1.9962 -1.9962 -1.9453 -1.9453 0.8171 0.8171 1.1765 1.1765 1.6460 1.6460 1.6930 1.6930 2.1309 2.1309 2.1638 2.1638 2.1928 2.1928 2.3445 2.3445 2.5251 2.5251 2.8459 2.8459 3.0355 3.0355 3.6553 3.6553 4.0607 4.0607 4.4170 4.4170 4.6910 4.6910 5.1905 5.1905 5.3042 5.3042 5.5523 5.5523 5.9537 5.9537 6.1988 6.1988 6.2639 6.2639 6.5693 6.5693 9.1511 9.1511 k = 0.2707-0.3595 0.5809 ( 18605 PWs) bands (ev): -14.7579 -14.7579 -14.7169 -14.7169 -7.5798 -7.5798 -6.9623 -6.9623 -6.8874 -6.8874 -6.7010 -6.7010 -3.5525 -3.5525 -3.5002 -3.5002 -2.2333 -2.2333 -2.1861 -2.1861 -1.9947 -1.9947 -1.9428 -1.9428 0.8110 0.8110 1.1919 1.1919 1.6261 1.6261 1.6781 1.6781 2.1201 2.1201 2.1703 2.1703 2.1948 2.1948 2.3506 2.3506 2.5416 2.5416 2.8448 2.8448 3.0506 3.0506 3.7049 3.7049 4.0533 4.0533 4.4182 4.4182 4.6506 4.6506 5.1829 5.1829 5.2839 5.2839 5.5496 5.5496 5.9377 5.9377 6.1952 6.1952 6.2566 6.2566 6.5612 6.5612 9.1200 9.1200 k = 0.2793-0.3709 0.5622 ( 18603 PWs) bands (ev): -14.7580 -14.7580 -14.7173 -14.7173 -7.5883 -7.5883 -6.9616 -6.9616 -6.8828 -6.8828 -6.6952 -6.6952 -3.5498 -3.5498 -3.5014 -3.5014 -2.2293 -2.2293 -2.1881 -2.1881 -1.9933 -1.9933 -1.9407 -1.9407 0.8058 0.8058 1.2080 1.2080 1.6063 1.6063 1.6646 1.6646 2.1102 2.1102 2.1763 2.1763 2.1963 2.1963 2.3563 2.3563 2.5573 2.5573 2.8430 2.8430 3.0646 3.0646 3.7531 3.7531 4.0466 4.0466 4.4190 4.4190 4.6105 4.6105 5.1759 5.1759 5.2652 5.2652 5.5470 5.5470 5.9235 5.9235 6.1919 6.1919 6.2501 6.2501 6.5537 6.5537 9.0923 9.0923 k = 0.2879-0.3823 0.5435 ( 18605 PWs) bands (ev): -14.7581 -14.7581 -14.7176 -14.7176 -7.5957 -7.5957 -6.9610 -6.9610 -6.8789 -6.8789 -6.6899 -6.6899 -3.5475 -3.5475 -3.5025 -3.5025 -2.2258 -2.2258 -2.1898 -2.1898 -1.9920 -1.9920 -1.9388 -1.9388 0.8014 0.8014 1.2244 1.2244 1.5869 1.5869 1.6527 1.6527 2.1013 2.1013 2.1817 2.1817 2.1974 2.1974 2.3615 2.3615 2.5719 2.5719 2.8407 2.8407 3.0771 3.0771 3.7995 3.7995 4.0407 4.0407 4.4193 4.4193 4.5711 4.5711 5.1694 5.1694 5.2483 5.2483 5.5445 5.5445 5.9111 5.9111 6.1889 6.1889 6.2445 6.2445 6.5469 6.5469 9.0680 9.0680 k = 0.2965-0.3937 0.5249 ( 18607 PWs) bands (ev): -14.7581 -14.7581 -14.7180 -14.7180 -7.6020 -7.6020 -6.9605 -6.9605 -6.8757 -6.8757 -6.6853 -6.6853 -3.5454 -3.5454 -3.5036 -3.5036 -2.2229 -2.2229 -2.1912 -2.1912 -1.9909 -1.9909 -1.9373 -1.9373 0.7977 0.7977 1.2407 1.2407 1.5684 1.5684 1.6426 1.6426 2.0938 2.0938 2.1863 2.1863 2.1982 2.1982 2.3661 2.3661 2.5851 2.5851 2.8380 2.8380 3.0881 3.0881 3.8433 3.8433 4.0357 4.0357 4.4193 4.4193 4.5332 4.5332 5.1635 5.1635 5.2336 5.2336 5.5422 5.5422 5.9007 5.9007 6.1864 6.1864 6.2397 6.2397 6.5409 6.5409 9.0473 9.0473 k = 0.3051-0.4051 0.5062 ( 18600 PWs) bands (ev): -14.7582 -14.7582 -14.7182 -14.7182 -7.6072 -7.6072 -6.9601 -6.9601 -6.8732 -6.8732 -6.6813 -6.6813 -3.5437 -3.5437 -3.5045 -3.5045 -2.2205 -2.2205 -2.1923 -2.1923 -1.9899 -1.9899 -1.9360 -1.9360 0.7947 0.7947 1.2561 1.2561 1.5511 1.5511 1.6342 1.6342 2.0876 2.0876 2.1900 2.1900 2.1990 2.1990 2.3699 2.3699 2.5966 2.5966 2.8352 2.8352 3.0973 3.0973 3.8834 3.8834 4.0316 4.0316 4.4191 4.4191 4.4979 4.4979 5.1583 5.1583 5.2215 5.2215 5.5401 5.5401 5.8922 5.8922 6.1842 6.1842 6.2359 6.2359 6.5358 6.5358 9.0303 9.0303 k = 0.3137-0.4165 0.4875 ( 18608 PWs) bands (ev): -14.7582 -14.7582 -14.7184 -14.7184 -7.6113 -7.6113 -6.9597 -6.9597 -6.8713 -6.8713 -6.6781 -6.6781 -3.5423 -3.5423 -3.5053 -3.5053 -2.2188 -2.2188 -2.1931 -2.1931 -1.9892 -1.9892 -1.9350 -1.9350 0.7925 0.7925 1.2700 1.2700 1.5360 1.5360 1.6276 1.6276 2.0827 2.0827 2.1925 2.1925 2.1999 2.1999 2.3730 2.3730 2.6061 2.6061 2.8326 2.8326 3.1046 3.1046 3.9183 3.9183 4.0285 4.0285 4.4188 4.4188 4.4666 4.4666 5.1539 5.1539 5.2121 5.2121 5.5385 5.5385 5.8856 5.8856 6.1825 6.1825 6.2329 6.2329 6.5318 6.5318 9.0170 9.0170 k = 0.3223-0.4280 0.4688 ( 18618 PWs) bands (ev): -14.7582 -14.7582 -14.7186 -14.7186 -7.6142 -7.6142 -6.9595 -6.9595 -6.8699 -6.8699 -6.6758 -6.6758 -3.5413 -3.5413 -3.5059 -3.5059 -2.2175 -2.2175 -2.1937 -2.1937 -1.9886 -1.9886 -1.9344 -1.9344 0.7909 0.7909 1.2812 1.2812 1.5238 1.5238 1.6229 1.6229 2.0792 2.0792 2.1940 2.1940 2.2008 2.2008 2.3752 2.3752 2.6132 2.6132 2.8304 2.8304 3.1099 3.1099 3.9458 3.9458 4.0265 4.0265 4.4185 4.4185 4.4414 4.4414 5.1505 5.1505 5.2055 5.2055 5.5372 5.5372 5.8809 5.8809 6.1812 6.1812 6.2308 6.2308 6.5288 6.5288 9.0074 9.0074 k = 0.3309-0.4394 0.4501 ( 18614 PWs) bands (ev): -14.7583 -14.7583 -14.7187 -14.7187 -7.6160 -7.6160 -6.9593 -6.9593 -6.8691 -6.8691 -6.6744 -6.6744 -3.5406 -3.5406 -3.5062 -3.5062 -2.2168 -2.2168 -2.1940 -2.1940 -1.9882 -1.9882 -1.9339 -1.9339 0.7899 0.7899 1.2887 1.2887 1.5159 1.5159 1.6200 1.6200 2.0771 2.0771 2.1947 2.1947 2.2016 2.2016 2.3766 2.3766 2.6176 2.6176 2.8290 2.8290 3.1131 3.1131 3.9635 3.9635 4.0256 4.0256 4.4183 4.4183 4.4248 4.4248 5.1484 5.1484 5.2015 5.2015 5.5365 5.5365 5.8781 5.8781 6.1805 6.1805 6.2295 6.2295 6.5271 6.5271 9.0017 9.0017 k = 0.3395-0.4508 0.4314 ( 18613 PWs) bands (ev): -14.7583 -14.7583 -14.7187 -14.7187 -7.6165 -7.6165 -6.9593 -6.9593 -6.8688 -6.8688 -6.6739 -6.6739 -3.5404 -3.5404 -3.5064 -3.5064 -2.2166 -2.2166 -2.1941 -2.1941 -1.9881 -1.9881 -1.9338 -1.9338 0.7896 0.7896 1.2913 1.2913 1.5131 1.5131 1.6190 1.6190 2.0764 2.0764 2.1949 2.1949 2.2019 2.2019 2.3771 2.3771 2.6191 2.6191 2.8285 2.8285 3.1142 3.1142 3.9697 3.9697 4.0254 4.0254 4.4178 4.4178 4.4194 4.4194 5.1476 5.1476 5.2002 5.2002 5.5362 5.5362 5.8772 5.8772 6.1802 6.1802 6.2291 6.2291 6.5265 6.5265 8.9998 8.9998 k = 0.6605 0.1634 0.2040 ( 18613 PWs) bands (ev): -14.7583 -14.7583 -14.7187 -14.7187 -7.6165 -7.6165 -6.9593 -6.9593 -6.8688 -6.8688 -6.6739 -6.6739 -3.5404 -3.5404 -3.5064 -3.5064 -2.2166 -2.2166 -2.1941 -2.1941 -1.9881 -1.9881 -1.9338 -1.9338 0.7896 0.7896 1.2913 1.2913 1.5131 1.5131 1.6190 1.6190 2.0764 2.0764 2.1949 2.1949 2.2019 2.2019 2.3771 2.3771 2.6191 2.6191 2.8285 2.8285 3.1142 3.1142 3.9697 3.9697 4.0254 4.0254 4.4178 4.4178 4.4194 4.4194 5.1476 5.1476 5.2002 5.2002 5.5362 5.5362 5.8772 5.8772 6.1802 6.1802 6.2291 6.2291 6.5265 6.5265 8.9998 8.9998 k = 0.6498 0.1776 0.1904 ( 18621 PWs) bands (ev): -14.7573 -14.7573 -14.7198 -14.7198 -7.6182 -7.6182 -6.9565 -6.9565 -6.8654 -6.8654 -6.6741 -6.6741 -3.5387 -3.5387 -3.5129 -3.5129 -2.2175 -2.2175 -2.2024 -2.2024 -1.9908 -1.9908 -1.9351 -1.9351 0.7739 0.7739 1.3018 1.3018 1.5255 1.5255 1.6154 1.6154 2.0882 2.0882 2.1808 2.1808 2.1948 2.1948 2.3761 2.3761 2.6221 2.6221 2.8742 2.8742 3.1202 3.1202 3.9785 3.9785 4.0168 4.0168 4.4161 4.4161 4.4179 4.4179 5.1502 5.1502 5.2014 5.2014 5.5482 5.5482 5.8786 5.8786 6.2039 6.2039 6.2160 6.2160 6.5047 6.5047 8.9824 8.9824 k = 0.6391 0.1918 0.1768 ( 18619 PWs) bands (ev): -14.7564 -14.7564 -14.7208 -14.7208 -7.6198 -7.6198 -6.9537 -6.9537 -6.8617 -6.8617 -6.6745 -6.6745 -3.5373 -3.5373 -3.5194 -3.5194 -2.2253 -2.2253 -2.2042 -2.2042 -1.9936 -1.9936 -1.9366 -1.9366 0.7570 0.7570 1.3120 1.3120 1.5389 1.5389 1.6125 1.6125 2.0999 2.0999 2.1685 2.1685 2.1883 2.1883 2.3752 2.3752 2.6250 2.6250 2.9201 2.9201 3.1251 3.1251 3.9869 3.9869 4.0097 4.0097 4.4143 4.4143 4.4165 4.4165 5.1529 5.1529 5.2028 5.2028 5.5617 5.5617 5.8797 5.8797 6.1783 6.1783 6.2538 6.2538 6.4828 6.4828 8.9667 8.9667 k = 0.6284 0.2061 0.1632 ( 18601 PWs) bands (ev): -14.7555 -14.7555 -14.7217 -14.7217 -7.6214 -7.6214 -6.9509 -6.9509 -6.8576 -6.8576 -6.6751 -6.6751 -3.5362 -3.5362 -3.5258 -3.5258 -2.2362 -2.2362 -2.2029 -2.2029 -1.9963 -1.9963 -1.9386 -1.9386 0.7395 0.7395 1.3219 1.3219 1.5526 1.5526 1.6104 1.6104 2.1106 2.1106 2.1585 2.1585 2.1822 2.1822 2.3746 2.3746 2.6279 2.6279 2.9657 2.9657 3.1289 3.1289 3.9878 3.9878 4.0112 4.0112 4.4125 4.4125 4.4152 4.4152 5.1557 5.1557 5.2043 5.2043 5.5766 5.5766 5.8806 5.8806 6.1521 6.1521 6.2931 6.2931 6.4611 6.4611 8.9528 8.9528 k = 0.6177 0.2203 0.1496 ( 18581 PWs) bands (ev): -14.7547 -14.7547 -14.7226 -14.7226 -7.6230 -7.6230 -6.9481 -6.9481 -6.8532 -6.8532 -6.6759 -6.6759 -3.5358 -3.5358 -3.5315 -3.5315 -2.2475 -2.2475 -2.2012 -2.2012 -1.9989 -1.9989 -1.9408 -1.9408 0.7219 0.7219 1.3313 1.3313 1.5663 1.5663 1.6090 1.6090 2.1183 2.1183 2.1528 2.1528 2.1764 2.1764 2.3741 2.3741 2.6307 2.6307 3.0105 3.0105 3.1320 3.1320 3.9800 3.9800 4.0222 4.0222 4.4108 4.4108 4.4138 4.4138 5.1586 5.1586 5.2060 5.2060 5.5928 5.5928 5.8813 5.8813 6.1257 6.1257 6.3334 6.3334 6.4398 6.4398 8.9406 8.9406 k = 0.6070 0.2345 0.1360 ( 18585 PWs) bands (ev): -14.7540 -14.7540 -14.7235 -14.7235 -7.6245 -7.6245 -6.9453 -6.9453 -6.8487 -6.8487 -6.6768 -6.6768 -3.5389 -3.5389 -3.5338 -3.5338 -2.2585 -2.2585 -2.1995 -2.1995 -2.0014 -2.0014 -1.9432 -1.9432 0.7045 0.7045 1.3402 1.3402 1.5794 1.5794 1.6083 1.6083 2.1201 2.1201 2.1541 2.1541 2.1711 2.1711 2.3737 2.3737 2.6333 2.6333 3.0537 3.0537 3.1346 3.1346 3.9699 3.9699 4.0361 4.0361 4.4091 4.4091 4.4125 4.4125 5.1614 5.1614 5.2079 5.2079 5.6101 5.6101 5.8818 5.8818 6.0991 6.0991 6.3735 6.3735 6.4194 6.4194 8.9303 8.9303 k = 0.5963 0.2487 0.1224 ( 18581 PWs) bands (ev): -14.7533 -14.7533 -14.7242 -14.7242 -7.6260 -7.6260 -6.9427 -6.9427 -6.8441 -6.8441 -6.6780 -6.6780 -3.5442 -3.5442 -3.5336 -3.5336 -2.2690 -2.2690 -2.1981 -2.1981 -2.0036 -2.0036 -1.9457 -1.9457 0.6878 0.6878 1.3485 1.3485 1.5912 1.5912 1.6087 1.6087 2.1167 2.1167 2.1613 2.1613 2.1663 2.1663 2.3734 2.3734 2.6358 2.6358 3.0940 3.0940 3.1377 3.1377 3.9594 3.9594 4.0508 4.0508 4.4074 4.4074 4.4113 4.4113 5.1641 5.1641 5.2099 5.2099 5.6286 5.6286 5.8821 5.8821 6.0724 6.0724 6.3980 6.3980 6.4150 6.4150 8.9217 8.9217 k = 0.5856 0.2629 0.1088 ( 18573 PWs) bands (ev): -14.7527 -14.7527 -14.7249 -14.7249 -7.6273 -7.6273 -6.9402 -6.9402 -6.8394 -6.8394 -6.6794 -6.6794 -3.5494 -3.5494 -3.5334 -3.5334 -2.2788 -2.2788 -2.1969 -2.1969 -2.0056 -2.0056 -1.9483 -1.9483 0.6720 0.6720 1.3561 1.3561 1.5995 1.5995 1.6120 1.6120 2.1117 2.1117 2.1618 2.1618 2.1707 2.1707 2.3732 2.3732 2.6380 2.6380 3.1236 3.1236 3.1487 3.1487 3.9490 3.9490 4.0655 4.0655 4.4058 4.4058 4.4102 4.4102 5.1667 5.1667 5.2120 5.2120 5.6480 5.6480 5.8821 5.8821 6.0459 6.0459 6.3804 6.3804 6.4525 6.4525 8.9149 8.9149 k = 0.5749 0.2771 0.0952 ( 18569 PWs) bands (ev): -14.7522 -14.7522 -14.7256 -14.7256 -7.6285 -7.6285 -6.9378 -6.9378 -6.8348 -6.8348 -6.6808 -6.6808 -3.5542 -3.5542 -3.5333 -3.5333 -2.2876 -2.2876 -2.1959 -2.1959 -2.0074 -2.0074 -1.9508 -1.9508 0.6575 0.6575 1.3630 1.3630 1.6026 1.6026 1.6197 1.6197 2.1067 2.1067 2.1579 2.1579 2.1801 2.1801 2.3731 2.3731 2.6401 2.6401 3.1311 3.1311 3.1788 3.1788 3.9388 3.9388 4.0799 4.0799 4.4042 4.4042 4.4091 4.4091 5.1690 5.1690 5.2141 5.2141 5.6682 5.6682 5.8819 5.8819 6.0198 6.0198 6.3635 6.3635 6.4888 6.4888 8.9099 8.9099 k = 0.5642 0.2913 0.0816 ( 18557 PWs) bands (ev): -14.7517 -14.7517 -14.7261 -14.7261 -7.6296 -7.6296 -6.9357 -6.9357 -6.8305 -6.8305 -6.6824 -6.6824 -3.5585 -3.5585 -3.5332 -3.5332 -2.2955 -2.2955 -2.1952 -2.1952 -2.0089 -2.0089 -1.9531 -1.9531 0.6445 0.6445 1.3691 1.3691 1.6035 1.6035 1.6285 1.6285 2.1023 2.1023 2.1545 2.1545 2.1890 2.1890 2.3730 2.3730 2.6419 2.6419 3.1324 3.1324 3.2113 3.2113 3.9292 3.9292 4.0934 4.0934 4.4028 4.4028 4.4081 4.4081 5.1711 5.1711 5.2162 5.2162 5.6890 5.6890 5.8812 5.8812 5.9942 5.9942 6.3482 6.3482 6.5222 6.5222 8.9065 8.9065 k = 0.5535 0.3055 0.0680 ( 18557 PWs) bands (ev): -14.7513 -14.7513 -14.7266 -14.7266 -7.6305 -7.6305 -6.9339 -6.9339 -6.8265 -6.8265 -6.6839 -6.6839 -3.5622 -3.5622 -3.5332 -3.5332 -2.3024 -2.3024 -2.1946 -2.1946 -2.0101 -2.0101 -1.9552 -1.9552 0.6332 0.6332 1.3744 1.3744 1.6040 1.6040 1.6366 1.6366 2.0986 2.0986 2.1516 2.1516 2.1970 2.1970 2.3730 2.3730 2.6435 2.6435 3.1326 3.1326 3.2409 3.2409 3.9204 3.9204 4.1056 4.1056 4.4015 4.4015 4.4073 4.4073 5.1728 5.1728 5.2182 5.2182 5.7104 5.7104 5.8801 5.8801 5.9695 5.9695 6.3349 6.3349 6.5520 6.5520 8.9046 8.9046 k = 0.5428 0.3197 0.0544 ( 18567 PWs) bands (ev): -14.7510 -14.7510 -14.7270 -14.7270 -7.6313 -7.6313 -6.9323 -6.9323 -6.8229 -6.8229 -6.6853 -6.6853 -3.5654 -3.5654 -3.5333 -3.5333 -2.3080 -2.3080 -2.1942 -2.1942 -2.0111 -2.0111 -1.9570 -1.9570 0.6237 0.6237 1.3787 1.3787 1.6043 1.6043 1.6434 1.6434 2.0955 2.0955 2.1493 2.1493 2.2038 2.2038 2.3730 2.3730 2.6448 2.6448 3.1325 3.1325 3.2664 3.2664 3.9127 3.9127 4.1161 4.1161 4.4004 4.4004 4.4066 4.4066 5.1743 5.1743 5.2199 5.2199 5.7320 5.7320 5.8779 5.8779 5.9463 5.9463 6.3236 6.3236 6.5775 6.5775 8.9043 8.9043 k = 0.5321 0.3339 0.0408 ( 18554 PWs) bands (ev): -14.7507 -14.7507 -14.7273 -14.7273 -7.6320 -7.6320 -6.9311 -6.9311 -6.8200 -6.8200 -6.6866 -6.6866 -3.5678 -3.5678 -3.5333 -3.5333 -2.3125 -2.3125 -2.1939 -2.1939 -2.0119 -2.0119 -1.9585 -1.9585 0.6161 0.6161 1.3822 1.3822 1.6045 1.6045 1.6488 1.6488 2.0932 2.0932 2.1474 2.1474 2.2092 2.2092 2.3730 2.3730 2.6458 2.6458 3.1322 3.1322 3.2869 3.2869 3.9063 3.9063 4.1247 4.1247 4.3994 4.3994 4.4060 4.4060 5.1755 5.1755 5.2214 5.2214 5.7537 5.7537 5.8734 5.8734 5.9262 5.9262 6.3147 6.3147 6.5981 6.5981 8.9051 8.9051 k = 0.5214 0.3481 0.0272 ( 18558 PWs) bands (ev): -14.7505 -14.7505 -14.7275 -14.7275 -7.6324 -7.6324 -6.9302 -6.9302 -6.8178 -6.8178 -6.6876 -6.6876 -3.5696 -3.5696 -3.5334 -3.5334 -2.3158 -2.3158 -2.1937 -2.1937 -2.0125 -2.0125 -1.9596 -1.9596 0.6107 0.6107 1.3846 1.3846 1.6047 1.6047 1.6527 1.6527 2.0916 2.0916 2.1461 2.1461 2.2132 2.2132 2.3730 2.3730 2.6465 2.6465 3.1320 3.1320 3.3020 3.3020 3.9015 3.9015 4.1310 4.1310 4.3988 4.3988 4.4056 4.4056 5.1763 5.1763 5.2225 5.2225 5.7748 5.7748 5.8649 5.8649 5.9116 5.9116 6.3082 6.3082 6.6131 6.6131 8.9066 8.9066 k = 0.5107 0.3623 0.0136 ( 18582 PWs) bands (ev): -14.7504 -14.7504 -14.7276 -14.7276 -7.6327 -7.6327 -6.9297 -6.9297 -6.8164 -6.8164 -6.6882 -6.6882 -3.5707 -3.5707 -3.5334 -3.5334 -2.3177 -2.3177 -2.1936 -2.1936 -2.0128 -2.0128 -1.9603 -1.9603 0.6074 0.6074 1.3861 1.3861 1.6048 1.6048 1.6551 1.6551 2.0906 2.0906 2.1453 2.1453 2.2156 2.2156 2.3731 2.3731 2.6469 2.6469 3.1318 3.1318 3.3113 3.3113 3.8985 3.8985 4.1348 4.1348 4.3983 4.3983 4.4054 4.4054 5.1768 5.1768 5.2232 5.2232 5.7937 5.7937 5.8523 5.8523 5.9040 5.9040 6.3043 6.3043 6.6224 6.6224 8.9082 8.9082 k = 0.5000 0.3766 0.0000 ( 18574 PWs) bands (ev): -14.7504 -14.7504 -14.7277 -14.7277 -7.6328 -7.6328 -6.9295 -6.9295 -6.8160 -6.8160 -6.6884 -6.6884 -3.5711 -3.5711 -3.5335 -3.5335 -2.3184 -2.3184 -2.1936 -2.1936 -2.0129 -2.0129 -1.9605 -1.9605 0.6063 0.6063 1.3866 1.3866 1.6048 1.6048 1.6559 1.6559 2.0903 2.0903 2.1451 2.1451 2.2164 2.2164 2.3731 2.3731 2.6471 2.6471 3.1317 3.1317 3.3144 3.3144 3.8975 3.8975 4.1361 4.1361 4.3982 4.3982 4.4053 4.4053 5.1770 5.1770 5.2234 5.2234 5.8033 5.8033 5.8444 5.8444 5.9019 5.9019 6.3030 6.3030 6.6255 6.6255 8.9088 8.9088 Writing output data file CsFeS2.save init_run : 0.70s CPU 0.87s WALL ( 1 calls) electrons : 1017.16s CPU 1028.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 1017.15s CPU 1028.70s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.26s CPU 0.31s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.17s CPU 0.27s WALL ( 290 calls) cegterg : 941.64s CPU 947.39s WALL ( 694 calls) Called by sum_band: Called by *egterg: h_psi : 685.17s CPU 690.95s WALL ( 11912 calls) s_psi : 23.74s CPU 23.85s WALL ( 11912 calls) g_psi : 0.73s CPU 0.74s WALL ( 10928 calls) cdiaghg : 210.46s CPU 211.22s WALL ( 11218 calls) cegterg:over : 31.09s CPU 30.87s WALL ( 10928 calls) cegterg:upda : 25.43s CPU 25.43s WALL ( 10928 calls) cegterg:last : 13.88s CPU 13.77s WALL ( 1543 calls) cdiaghg:chol : 8.36s CPU 8.42s WALL ( 11218 calls) cdiaghg:inve : 5.83s CPU 5.97s WALL ( 11218 calls) cdiaghg:para : 12.24s CPU 12.68s WALL ( 22436 calls) Called by h_psi: h_psi:vloc : 616.42s CPU 621.86s WALL ( 11912 calls) h_psi:vnl : 67.86s CPU 68.16s WALL ( 11912 calls) add_vuspsi : 38.65s CPU 38.67s WALL ( 11912 calls) General routines calbec : 29.14s CPU 29.44s WALL ( 11912 calls) fft : 0.02s CPU 0.02s WALL ( 15 calls) fftw : 596.41s CPU 601.58s WALL ( 1183856 calls) davcio : 0.34s CPU 5.15s WALL ( 580 calls) Parallel routines fft_scatter : 346.52s CPU 349.00s WALL ( 1183871 calls) PWSCF : 18m14.82s CPU 18m46.92s WALL This run was terminated on: 15: 1:47 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=