Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:37: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ba2Fe2S2OF2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 142 88 25 2995 1450 230 Max 143 89 26 2996 1469 232 Sum 5121 3169 915 107847 52401 8307 bravais-lattice index = 14 lattice parameter (alat) = 18.8590 a.u. unit-cell volume = 1095.2851 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 5 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 18.858996 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.914627 celldm(5)= -0.914627 celldm(6)= 0.829254 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.829254 0.558871 0.000000 ) a(3) = ( -0.914627 -0.279436 0.292186 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.483802 1.711238 ) b(2) = ( 0.000000 1.789321 1.711238 ) b(3) = ( 0.000000 0.000000 3.422475 ) 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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. # 4 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 5 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ba 10.00 137.32700 Ba( 1.00) Fe 8.00 55.84500 Fe( 1.00) O 6.00 15.99940 O( 1.00) F 7.00 18.99840 F( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 317 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 2) = ( 0.0000000 0.0000000 0.0316896), wk = 0.0031546 k( 3) = ( 0.0000000 0.0000000 0.0633792), wk = 0.0031546 k( 4) = ( 0.0000000 0.0000000 0.0950688), wk = 0.0031546 k( 5) = ( 0.0000000 0.0000000 0.1267583), wk = 0.0031546 k( 6) = ( 0.0000000 0.0000000 0.1584479), wk = 0.0031546 k( 7) = ( 0.0000000 0.0000000 0.1901375), wk = 0.0031546 k( 8) = ( 0.0000000 0.0000000 0.2218271), wk = 0.0031546 k( 9) = ( 0.0000000 0.0000000 0.2535167), wk = 0.0031546 k( 10) = ( 0.0000000 0.0000000 0.2852063), wk = 0.0031546 k( 11) = ( 0.0000000 0.0000000 0.3168958), wk = 0.0031546 k( 12) = ( 0.0000000 0.0000000 0.3485854), wk = 0.0031546 k( 13) = ( 0.0000000 0.0000000 0.3802750), wk = 0.0031546 k( 14) = ( 0.0000000 0.0000000 0.4119646), wk = 0.0031546 k( 15) = ( 0.0000000 0.0000000 0.4436542), wk = 0.0031546 k( 16) = ( 0.0000000 0.0000000 0.4753438), wk = 0.0031546 k( 17) = ( 0.0000000 0.0000000 0.5070334), wk = 0.0031546 k( 18) = ( 0.0000000 0.0000000 0.5387230), wk = 0.0031546 k( 19) = ( 0.0000000 0.0000000 0.5704125), wk = 0.0031546 k( 20) = ( 0.0000000 0.0000000 0.6021021), wk = 0.0031546 k( 21) = ( 0.0000000 0.0000000 0.6337917), wk = 0.0031546 k( 22) = ( 0.0000000 0.0000000 0.6654813), wk = 0.0031546 k( 23) = ( 0.0000000 0.0000000 0.6971709), wk = 0.0031546 k( 24) = ( 0.0000000 0.0000000 0.7288604), wk = 0.0031546 k( 25) = ( 0.0000000 0.0000000 0.7605500), wk = 0.0031546 k( 26) = ( 0.0000000 0.0000000 0.7922396), wk = 0.0031546 k( 27) = ( 0.0000000 0.0000000 0.8239292), wk = 0.0031546 k( 28) = ( 0.0000000 0.0000000 0.8556188), wk = 0.0031546 k( 29) = ( 0.0000000 0.0000000 0.8873084), wk = 0.0031546 k( 30) = ( 0.0000000 0.0000000 0.9189980), wk = 0.0031546 k( 31) = ( 0.0000000 0.0000000 0.9506876), wk = 0.0031546 k( 32) = ( 0.0000000 0.0000000 0.9823771), wk = 0.0031546 k( 33) = ( 0.0000000 0.0000000 1.0140667), wk = 0.0031546 k( 34) = ( 0.0000000 0.0000000 1.0457563), wk = 0.0031546 k( 35) = ( 0.0000000 0.0000000 1.0774459), wk = 0.0031546 k( 36) = ( 0.0000000 0.0000000 1.1091355), wk = 0.0031546 k( 37) = ( 0.0000000 0.0000000 1.1408250), wk = 0.0031546 k( 38) = ( 0.0000000 0.0000000 1.1725146), wk = 0.0031546 k( 39) = ( 0.0000000 0.0000000 1.2042042), wk = 0.0031546 k( 40) = ( 0.0000000 0.0000000 1.2358938), wk = 0.0031546 k( 41) = ( 0.0000000 0.0000000 1.2675834), wk = 0.0031546 k( 42) = ( 0.0000000 0.0000000 1.2992730), wk = 0.0031546 k( 43) = ( 0.0000000 0.0000000 1.3309626), wk = 0.0031546 k( 44) = ( 0.0000000 0.0000000 1.3626522), wk = 0.0031546 k( 45) = ( 0.0000000 0.0000000 1.3943417), wk = 0.0031546 k( 46) = ( 0.0000000 0.0000000 1.4260313), wk = 0.0031546 k( 47) = ( 0.0000000 0.0000000 1.4577209), wk = 0.0031546 k( 48) = ( 0.0000000 0.0000000 1.4894105), wk = 0.0031546 k( 49) = ( 0.0000000 0.0000000 1.5211001), wk = 0.0031546 k( 50) = ( 0.0000000 0.0000000 1.5527897), wk = 0.0031546 k( 51) = ( 0.0000000 0.0000000 1.5844792), wk = 0.0031546 k( 52) = ( 0.0000000 0.0000000 1.6161688), wk = 0.0031546 k( 53) = ( 0.0000000 0.0000000 1.6478584), wk = 0.0031546 k( 54) = ( 0.0000000 0.0000000 1.6795480), wk = 0.0031546 k( 55) = ( 0.0000000 0.0000000 1.7112376), wk = 0.0031546 k( 56) = ( 0.0000000 0.0000000 1.7112376), wk = 0.0031546 k( 57) = ( -0.0077785 0.0254599 1.7112376), wk = 0.0031546 k( 58) = ( -0.0155569 0.0509198 1.7112376), wk = 0.0031546 k( 59) = ( -0.0233354 0.0763796 1.7112376), wk = 0.0031546 k( 60) = ( -0.0233354 0.0763796 1.7112376), wk = 0.0031546 k( 61) = ( -0.0297768 0.0974632 1.6891920), wk = 0.0031546 k( 62) = ( -0.0362182 0.1185467 1.6671464), wk = 0.0031546 k( 63) = ( -0.0426596 0.1396303 1.6451009), wk = 0.0031546 k( 64) = ( -0.0491011 0.1607138 1.6230553), wk = 0.0031546 k( 65) = ( -0.0555425 0.1817974 1.6010097), wk = 0.0031546 k( 66) = ( -0.0619839 0.2028809 1.5789641), wk = 0.0031546 k( 67) = ( -0.0684253 0.2239644 1.5569186), wk = 0.0031546 k( 68) = ( -0.0748667 0.2450480 1.5348730), wk = 0.0031546 k( 69) = ( -0.0813081 0.2661315 1.5128274), wk = 0.0031546 k( 70) = ( -0.0877495 0.2872151 1.4907818), wk = 0.0031546 k( 71) = ( -0.0941909 0.3082986 1.4687362), wk = 0.0031546 k( 72) = ( -0.1006324 0.3293821 1.4466907), wk = 0.0031546 k( 73) = ( -0.1070738 0.3504657 1.4246451), wk = 0.0031546 k( 74) = ( -0.1135152 0.3715492 1.4025995), wk = 0.0031546 k( 75) = ( -0.1199566 0.3926327 1.3805539), wk = 0.0031546 k( 76) = ( -0.1263980 0.4137163 1.3585083), wk = 0.0031546 k( 77) = ( -0.1328394 0.4347998 1.3364628), wk = 0.0031546 k( 78) = ( -0.1392808 0.4558834 1.3144172), wk = 0.0031546 k( 79) = ( -0.1457223 0.4769669 1.2923716), wk = 0.0031546 k( 80) = ( -0.1521637 0.4980505 1.2703260), wk = 0.0031546 k( 81) = ( -0.1586051 0.5191340 1.2482805), wk = 0.0031546 k( 82) = ( -0.1650465 0.5402175 1.2262349), wk = 0.0031546 k( 83) = ( -0.1714879 0.5613011 1.2041893), wk = 0.0031546 k( 84) = ( -0.1779293 0.5823846 1.1821437), wk = 0.0031546 k( 85) = ( -0.1843707 0.6034682 1.1600981), wk = 0.0031546 k( 86) = ( -0.1908122 0.6245517 1.1380526), wk = 0.0031546 k( 87) = ( -0.1972536 0.6456353 1.1160070), wk = 0.0031546 k( 88) = ( -0.2036950 0.6667188 1.0939614), wk = 0.0031546 k( 89) = ( -0.2101364 0.6878023 1.0719158), wk = 0.0031546 k( 90) = ( -0.2165778 0.7088859 1.0498703), wk = 0.0031546 k( 91) = ( -0.2230192 0.7299694 1.0278247), wk = 0.0031546 k( 92) = ( -0.2294606 0.7510529 1.0057791), wk = 0.0031546 k( 93) = ( -0.2359021 0.7721365 0.9837335), wk = 0.0031546 k( 94) = ( -0.2423435 0.7932200 0.9616879), wk = 0.0031546 k( 95) = ( -0.2487849 0.8143036 0.9396424), wk = 0.0031546 k( 96) = ( -0.2552263 0.8353871 0.9175968), wk = 0.0031546 k( 97) = ( -0.2616677 0.8564707 0.8955512), wk = 0.0031546 k( 98) = ( -0.2616677 0.8564707 0.8955512), wk = 0.0031546 k( 99) = ( -0.2551260 0.8350589 0.8731624), wk = 0.0031546 k( 100) = ( -0.2485843 0.8136471 0.8507737), wk = 0.0031546 k( 101) = ( -0.2420426 0.7922353 0.8283849), wk = 0.0031546 k( 102) = ( -0.2355009 0.7708236 0.8059961), wk = 0.0031546 k( 103) = ( -0.2289592 0.7494118 0.7836073), wk = 0.0031546 k( 104) = ( -0.2224175 0.7280001 0.7612185), wk = 0.0031546 k( 105) = ( -0.2158759 0.7065883 0.7388297), wk = 0.0031546 k( 106) = ( -0.2093342 0.6851765 0.7164410), wk = 0.0031546 k( 107) = ( -0.2027925 0.6637648 0.6940522), wk = 0.0031546 k( 108) = ( -0.1962508 0.6423530 0.6716634), wk = 0.0031546 k( 109) = ( -0.1897091 0.6209412 0.6492746), wk = 0.0031546 k( 110) = ( -0.1831674 0.5995295 0.6268858), wk = 0.0031546 k( 111) = ( -0.1766257 0.5781177 0.6044971), wk = 0.0031546 k( 112) = ( -0.1700840 0.5567059 0.5821083), wk = 0.0031546 k( 113) = ( -0.1635423 0.5352942 0.5597195), wk = 0.0031546 k( 114) = ( -0.1570006 0.5138824 0.5373307), wk = 0.0031546 k( 115) = ( -0.1504589 0.4924706 0.5149420), wk = 0.0031546 k( 116) = ( -0.1439172 0.4710589 0.4925532), wk = 0.0031546 k( 117) = ( -0.1373755 0.4496471 0.4701644), wk = 0.0031546 k( 118) = ( -0.1308339 0.4282353 0.4477756), wk = 0.0031546 k( 119) = ( -0.1242922 0.4068236 0.4253868), wk = 0.0031546 k( 120) = ( -0.1177505 0.3854118 0.4029981), wk = 0.0031546 k( 121) = ( -0.1112088 0.3640000 0.3806093), wk = 0.0031546 k( 122) = ( -0.1046671 0.3425883 0.3582205), wk = 0.0031546 k( 123) = ( -0.0981254 0.3211765 0.3358317), wk = 0.0031546 k( 124) = ( -0.0915837 0.2997647 0.3134429), wk = 0.0031546 k( 125) = ( -0.0850420 0.2783530 0.2910541), wk = 0.0031546 k( 126) = ( -0.0785003 0.2569412 0.2686654), wk = 0.0031546 k( 127) = ( -0.0719586 0.2355294 0.2462766), wk = 0.0031546 k( 128) = ( -0.0654169 0.2141177 0.2238878), wk = 0.0031546 k( 129) = ( -0.0588752 0.1927059 0.2014990), wk = 0.0031546 k( 130) = ( -0.0523335 0.1712941 0.1791102), wk = 0.0031546 k( 131) = ( -0.0457919 0.1498824 0.1567215), wk = 0.0031546 k( 132) = ( -0.0392502 0.1284706 0.1343327), wk = 0.0031546 k( 133) = ( -0.0327085 0.1070588 0.1119439), wk = 0.0031546 k( 134) = ( -0.0261668 0.0856471 0.0895551), wk = 0.0031546 k( 135) = ( -0.0196251 0.0642353 0.0671663), wk = 0.0031546 k( 136) = ( -0.0130834 0.0428235 0.0447776), wk = 0.0031546 k( 137) = ( -0.0065417 0.0214118 0.0223888), wk = 0.0031546 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 140) = ( 0.0294118 0.0089858 -0.0000000), wk = 0.0031546 k( 141) = ( 0.0588235 0.0179717 -0.0000000), wk = 0.0031546 k( 142) = ( 0.0882353 0.0269575 -0.0000000), wk = 0.0031546 k( 143) = ( 0.1176471 0.0359434 -0.0000000), wk = 0.0031546 k( 144) = ( 0.1470588 0.0449292 -0.0000000), wk = 0.0031546 k( 145) = ( 0.1764706 0.0539150 -0.0000000), wk = 0.0031546 k( 146) = ( 0.2058823 0.0629009 -0.0000000), wk = 0.0031546 k( 147) = ( 0.2352941 0.0718867 -0.0000000), wk = 0.0031546 k( 148) = ( 0.2647059 0.0808726 -0.0000000), wk = 0.0031546 k( 149) = ( 0.2941177 0.0898584 -0.0000000), wk = 0.0031546 k( 150) = ( 0.3235294 0.0988442 -0.0000000), wk = 0.0031546 k( 151) = ( 0.3529412 0.1078301 -0.0000000), wk = 0.0031546 k( 152) = ( 0.3823529 0.1168159 -0.0000000), wk = 0.0031546 k( 153) = ( 0.4117647 0.1258018 -0.0000000), wk = 0.0031546 k( 154) = ( 0.4411765 0.1347876 -0.0000000), wk = 0.0031546 k( 155) = ( 0.4705882 0.1437735 -0.0000000), wk = 0.0031546 k( 156) = ( 0.5000000 0.1527593 -0.0000000), wk = 0.0031546 k( 157) = ( 0.5000000 0.1527593 -0.0000000), wk = 0.0031546 k( 158) = ( 0.4935586 0.1738428 0.0220456), wk = 0.0031546 k( 159) = ( 0.4871172 0.1949264 0.0440912), wk = 0.0031546 k( 160) = ( 0.4806758 0.2160099 0.0661367), wk = 0.0031546 k( 161) = ( 0.4742344 0.2370934 0.0881823), wk = 0.0031546 k( 162) = ( 0.4677929 0.2581770 0.1102279), wk = 0.0031546 k( 163) = ( 0.4613515 0.2792605 0.1322735), wk = 0.0031546 k( 164) = ( 0.4549101 0.3003441 0.1543190), wk = 0.0031546 k( 165) = ( 0.4484687 0.3214276 0.1763646), wk = 0.0031546 k( 166) = ( 0.4420273 0.3425112 0.1984102), wk = 0.0031546 k( 167) = ( 0.4355859 0.3635947 0.2204558), wk = 0.0031546 k( 168) = ( 0.4291445 0.3846782 0.2425014), wk = 0.0031546 k( 169) = ( 0.4227030 0.4057618 0.2645469), wk = 0.0031546 k( 170) = ( 0.4162616 0.4268453 0.2865925), wk = 0.0031546 k( 171) = ( 0.4098202 0.4479289 0.3086381), wk = 0.0031546 k( 172) = ( 0.4033788 0.4690124 0.3306837), wk = 0.0031546 k( 173) = ( 0.3969374 0.4900960 0.3527293), wk = 0.0031546 k( 174) = ( 0.3904960 0.5111795 0.3747748), wk = 0.0031546 k( 175) = ( 0.3840546 0.5322630 0.3968204), wk = 0.0031546 k( 176) = ( 0.3776131 0.5533466 0.4188660), wk = 0.0031546 k( 177) = ( 0.3711717 0.5744301 0.4409116), wk = 0.0031546 k( 178) = ( 0.3647303 0.5955136 0.4629571), wk = 0.0031546 k( 179) = ( 0.3582889 0.6165972 0.4850027), wk = 0.0031546 k( 180) = ( 0.3518475 0.6376807 0.5070483), wk = 0.0031546 k( 181) = ( 0.3454061 0.6587643 0.5290939), wk = 0.0031546 k( 182) = ( 0.3389647 0.6798478 0.5511395), wk = 0.0031546 k( 183) = ( 0.3325232 0.7009313 0.5731850), wk = 0.0031546 k( 184) = ( 0.3260818 0.7220149 0.5952306), wk = 0.0031546 k( 185) = ( 0.3196404 0.7430984 0.6172762), wk = 0.0031546 k( 186) = ( 0.3131990 0.7641820 0.6393218), wk = 0.0031546 k( 187) = ( 0.3067576 0.7852655 0.6613673), wk = 0.0031546 k( 188) = ( 0.3003162 0.8063491 0.6834129), wk = 0.0031546 k( 189) = ( 0.2938748 0.8274326 0.7054585), wk = 0.0031546 k( 190) = ( 0.2874333 0.8485162 0.7275041), wk = 0.0031546 k( 191) = ( 0.2809919 0.8695997 0.7495496), wk = 0.0031546 k( 192) = ( 0.2745505 0.8906832 0.7715952), wk = 0.0031546 k( 193) = ( 0.2681091 0.9117668 0.7936408), wk = 0.0031546 k( 194) = ( 0.2616677 0.9328503 0.8156864), wk = 0.0031546 k( 195) = ( 0.2616677 0.9328503 0.8156864), wk = 0.0031546 k( 196) = ( 0.2325935 0.9286070 0.8201233), wk = 0.0031546 k( 197) = ( 0.2035193 0.9243637 0.8245603), wk = 0.0031546 k( 198) = ( 0.1744451 0.9201204 0.8289972), wk = 0.0031546 k( 199) = ( 0.1453709 0.9158770 0.8334341), wk = 0.0031546 k( 200) = ( 0.1162968 0.9116337 0.8378711), wk = 0.0031546 k( 201) = ( 0.0872226 0.9073904 0.8423080), wk = 0.0031546 k( 202) = ( 0.0581484 0.9031471 0.8467449), wk = 0.0031546 k( 203) = ( 0.0290742 0.8989038 0.8511819), wk = 0.0031546 k( 204) = ( 0.0000000 0.8946605 0.8556188), wk = 0.0031546 k( 205) = ( 0.0000000 0.8946605 0.8556188), wk = 0.0031546 k( 206) = ( 0.0064103 0.8736789 0.8775577), wk = 0.0031546 k( 207) = ( 0.0128205 0.8526974 0.8994967), wk = 0.0031546 k( 208) = ( 0.0192308 0.8317158 0.9214356), wk = 0.0031546 k( 209) = ( 0.0256410 0.8107342 0.9433746), wk = 0.0031546 k( 210) = ( 0.0320513 0.7897527 0.9653135), wk = 0.0031546 k( 211) = ( 0.0384615 0.7687711 0.9872525), wk = 0.0031546 k( 212) = ( 0.0448718 0.7477896 1.0091914), wk = 0.0031546 k( 213) = ( 0.0512821 0.7268080 1.0311303), wk = 0.0031546 k( 214) = ( 0.0576923 0.7058264 1.0530693), wk = 0.0031546 k( 215) = ( 0.0641026 0.6848449 1.0750082), wk = 0.0031546 k( 216) = ( 0.0705128 0.6638633 1.0969472), wk = 0.0031546 k( 217) = ( 0.0769231 0.6428818 1.1188861), wk = 0.0031546 k( 218) = ( 0.0833333 0.6219002 1.1408250), wk = 0.0031546 k( 219) = ( 0.0897436 0.6009186 1.1627640), wk = 0.0031546 k( 220) = ( 0.0961538 0.5799371 1.1847030), wk = 0.0031546 k( 221) = ( 0.1025641 0.5589555 1.2066419), wk = 0.0031546 k( 222) = ( 0.1089744 0.5379740 1.2285808), wk = 0.0031546 k( 223) = ( 0.1153846 0.5169924 1.2505198), wk = 0.0031546 k( 224) = ( 0.1217949 0.4960108 1.2724587), wk = 0.0031546 k( 225) = ( 0.1282051 0.4750293 1.2943977), wk = 0.0031546 k( 226) = ( 0.1346154 0.4540477 1.3163366), wk = 0.0031546 k( 227) = ( 0.1410256 0.4330662 1.3382755), wk = 0.0031546 k( 228) = ( 0.1474359 0.4120846 1.3602145), wk = 0.0031546 k( 229) = ( 0.1538461 0.3911031 1.3821534), wk = 0.0031546 k( 230) = ( 0.1602564 0.3701215 1.4040924), wk = 0.0031546 k( 231) = ( 0.1666667 0.3491399 1.4260313), wk = 0.0031546 k( 232) = ( 0.1730769 0.3281584 1.4479703), wk = 0.0031546 k( 233) = ( 0.1794872 0.3071768 1.4699092), wk = 0.0031546 k( 234) = ( 0.1858974 0.2861952 1.4918482), wk = 0.0031546 k( 235) = ( 0.1923077 0.2652137 1.5137871), wk = 0.0031546 k( 236) = ( 0.1987180 0.2442321 1.5357260), wk = 0.0031546 k( 237) = ( 0.2051282 0.2232505 1.5576650), wk = 0.0031546 k( 238) = ( 0.2115385 0.2022690 1.5796039), wk = 0.0031546 k( 239) = ( 0.2179487 0.1812874 1.6015429), wk = 0.0031546 k( 240) = ( 0.2243590 0.1603059 1.6234818), wk = 0.0031546 k( 241) = ( 0.2307692 0.1393243 1.6454208), wk = 0.0031546 k( 242) = ( 0.2371795 0.1183428 1.6673597), wk = 0.0031546 k( 243) = ( 0.2435897 0.0973612 1.6892986), wk = 0.0031546 k( 244) = ( 0.2500000 0.0763796 1.7112376), wk = 0.0031546 k( 245) = ( 0.2500000 0.0763796 1.7112376), wk = 0.0031546 k( 246) = ( 0.2777778 0.0848663 1.7023637), wk = 0.0031546 k( 247) = ( 0.3055556 0.0933529 1.6934899), wk = 0.0031546 k( 248) = ( 0.3333333 0.1018395 1.6846160), wk = 0.0031546 k( 249) = ( 0.3611111 0.1103262 1.6757421), wk = 0.0031546 k( 250) = ( 0.3888889 0.1188128 1.6668682), wk = 0.0031546 k( 251) = ( 0.4166667 0.1272994 1.6579944), wk = 0.0031546 k( 252) = ( 0.4444444 0.1357860 1.6491205), wk = 0.0031546 k( 253) = ( 0.4722222 0.1442727 1.6402466), wk = 0.0031546 k( 254) = ( 0.5000000 0.1527593 1.6313728), wk = 0.0031546 k( 255) = ( 0.5000000 0.1527593 1.6313728), wk = 0.0031546 k( 256) = ( 0.5000000 0.1527593 1.6000002), wk = 0.0031546 k( 257) = ( 0.5000000 0.1527593 1.5686277), wk = 0.0031546 k( 258) = ( 0.5000000 0.1527593 1.5372551), wk = 0.0031546 k( 259) = ( 0.5000000 0.1527593 1.5058825), wk = 0.0031546 k( 260) = ( 0.5000000 0.1527593 1.4745100), wk = 0.0031546 k( 261) = ( 0.5000000 0.1527593 1.4431374), wk = 0.0031546 k( 262) = ( 0.5000000 0.1527593 1.4117649), wk = 0.0031546 k( 263) = ( 0.5000000 0.1527593 1.3803923), wk = 0.0031546 k( 264) = ( 0.5000000 0.1527593 1.3490198), wk = 0.0031546 k( 265) = ( 0.5000000 0.1527593 1.3176472), wk = 0.0031546 k( 266) = ( 0.5000000 0.1527593 1.2862747), wk = 0.0031546 k( 267) = ( 0.5000000 0.1527593 1.2549021), wk = 0.0031546 k( 268) = ( 0.5000000 0.1527593 1.2235296), wk = 0.0031546 k( 269) = ( 0.5000000 0.1527593 1.1921570), wk = 0.0031546 k( 270) = ( 0.5000000 0.1527593 1.1607845), wk = 0.0031546 k( 271) = ( 0.5000000 0.1527593 1.1294119), wk = 0.0031546 k( 272) = ( 0.5000000 0.1527593 1.0980394), wk = 0.0031546 k( 273) = ( 0.5000000 0.1527593 1.0666668), wk = 0.0031546 k( 274) = ( 0.5000000 0.1527593 1.0352943), wk = 0.0031546 k( 275) = ( 0.5000000 0.1527593 1.0039217), wk = 0.0031546 k( 276) = ( 0.5000000 0.1527593 0.9725491), wk = 0.0031546 k( 277) = ( 0.5000000 0.1527593 0.9411766), wk = 0.0031546 k( 278) = ( 0.5000000 0.1527593 0.9098040), wk = 0.0031546 k( 279) = ( 0.5000000 0.1527593 0.8784315), wk = 0.0031546 k( 280) = ( 0.5000000 0.1527593 0.8470589), wk = 0.0031546 k( 281) = ( 0.5000000 0.1527593 0.8156864), wk = 0.0031546 k( 282) = ( 0.5000000 0.1527593 0.7843138), wk = 0.0031546 k( 283) = ( 0.5000000 0.1527593 0.7529413), wk = 0.0031546 k( 284) = ( 0.5000000 0.1527593 0.7215687), wk = 0.0031546 k( 285) = ( 0.5000000 0.1527593 0.6901962), wk = 0.0031546 k( 286) = ( 0.5000000 0.1527593 0.6588236), wk = 0.0031546 k( 287) = ( 0.5000000 0.1527593 0.6274511), wk = 0.0031546 k( 288) = ( 0.5000000 0.1527593 0.5960785), wk = 0.0031546 k( 289) = ( 0.5000000 0.1527593 0.5647059), wk = 0.0031546 k( 290) = ( 0.5000000 0.1527593 0.5333334), wk = 0.0031546 k( 291) = ( 0.5000000 0.1527593 0.5019608), wk = 0.0031546 k( 292) = ( 0.5000000 0.1527593 0.4705883), wk = 0.0031546 k( 293) = ( 0.5000000 0.1527593 0.4392158), wk = 0.0031546 k( 294) = ( 0.5000000 0.1527593 0.4078432), wk = 0.0031546 k( 295) = ( 0.5000000 0.1527593 0.3764706), wk = 0.0031546 k( 296) = ( 0.5000000 0.1527593 0.3450981), wk = 0.0031546 k( 297) = ( 0.5000000 0.1527593 0.3137255), wk = 0.0031546 k( 298) = ( 0.5000000 0.1527593 0.2823530), wk = 0.0031546 k( 299) = ( 0.5000000 0.1527593 0.2509804), wk = 0.0031546 k( 300) = ( 0.5000000 0.1527593 0.2196079), wk = 0.0031546 k( 301) = ( 0.5000000 0.1527593 0.1882353), wk = 0.0031546 k( 302) = ( 0.5000000 0.1527593 0.1568627), wk = 0.0031546 k( 303) = ( 0.5000000 0.1527593 0.1254902), wk = 0.0031546 k( 304) = ( 0.5000000 0.1527593 0.0941177), wk = 0.0031546 k( 305) = ( 0.5000000 0.1527593 0.0627451), wk = 0.0031546 k( 306) = ( 0.5000000 0.1527593 0.0313726), wk = 0.0031546 k( 307) = ( 0.5000000 0.1527593 -0.0000000), wk = 0.0031546 k( 308) = ( 0.0000000 0.0000000 1.7112376), wk = 0.0031546 k( 309) = ( 0.0277778 0.0084866 1.7112376), wk = 0.0031546 k( 310) = ( 0.0555556 0.0169733 1.7112376), wk = 0.0031546 k( 311) = ( 0.0833333 0.0254599 1.7112376), wk = 0.0031546 k( 312) = ( 0.1111111 0.0339465 1.7112376), wk = 0.0031546 k( 313) = ( 0.1388889 0.0424331 1.7112376), wk = 0.0031546 k( 314) = ( 0.1666667 0.0509198 1.7112376), wk = 0.0031546 k( 315) = ( 0.1944444 0.0594064 1.7112376), wk = 0.0031546 k( 316) = ( 0.2222222 0.0678930 1.7112376), wk = 0.0031546 k( 317) = ( 0.2500000 0.0763796 1.7112376), wk = 0.0031546 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0031546 k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0031546 k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0031546 k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0031546 k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0031546 k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0031546 k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0031546 k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0031546 k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0031546 k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0031546 k( 12) = ( 0.0000000 0.0000000 0.1018518), wk = 0.0031546 k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0031546 k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0031546 k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0031546 k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0031546 k( 17) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0031546 k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0031546 k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031546 k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0031546 k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0031546 k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0031546 k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0031546 k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0031546 k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0031546 k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0031546 k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0031546 k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031546 k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0031546 k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0031546 k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0031546 k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0031546 k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0031546 k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0031546 k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0031546 k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0031546 k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031546 k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0031546 k( 39) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0031546 k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0031546 k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0031546 k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0031546 k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0031546 k( 44) = ( 0.0000000 0.0000000 0.3981481), wk = 0.0031546 k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0031546 k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0031546 k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0031546 k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0031546 k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0031546 k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0031546 k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0031546 k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0031546 k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0031546 k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0031546 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031546 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031546 k( 57) = ( -0.0077785 0.0077785 0.5000000), wk = 0.0031546 k( 58) = ( -0.0155569 0.0155569 0.5000000), wk = 0.0031546 k( 59) = ( -0.0233354 0.0233354 0.5000000), wk = 0.0031546 k( 60) = ( -0.0233354 0.0233354 0.5000000), wk = 0.0031546 k( 61) = ( -0.0297768 0.0297768 0.4935586), wk = 0.0031546 k( 62) = ( -0.0362182 0.0362182 0.4871172), wk = 0.0031546 k( 63) = ( -0.0426596 0.0426596 0.4806758), wk = 0.0031546 k( 64) = ( -0.0491011 0.0491011 0.4742344), wk = 0.0031546 k( 65) = ( -0.0555425 0.0555425 0.4677929), wk = 0.0031546 k( 66) = ( -0.0619839 0.0619839 0.4613515), wk = 0.0031546 k( 67) = ( -0.0684253 0.0684253 0.4549101), wk = 0.0031546 k( 68) = ( -0.0748667 0.0748667 0.4484687), wk = 0.0031546 k( 69) = ( -0.0813081 0.0813081 0.4420273), wk = 0.0031546 k( 70) = ( -0.0877495 0.0877495 0.4355859), wk = 0.0031546 k( 71) = ( -0.0941909 0.0941909 0.4291445), wk = 0.0031546 k( 72) = ( -0.1006324 0.1006324 0.4227030), wk = 0.0031546 k( 73) = ( -0.1070738 0.1070738 0.4162616), wk = 0.0031546 k( 74) = ( -0.1135152 0.1135152 0.4098202), wk = 0.0031546 k( 75) = ( -0.1199566 0.1199566 0.4033788), wk = 0.0031546 k( 76) = ( -0.1263980 0.1263980 0.3969374), wk = 0.0031546 k( 77) = ( -0.1328394 0.1328394 0.3904960), wk = 0.0031546 k( 78) = ( -0.1392808 0.1392808 0.3840546), wk = 0.0031546 k( 79) = ( -0.1457223 0.1457223 0.3776131), wk = 0.0031546 k( 80) = ( -0.1521637 0.1521637 0.3711717), wk = 0.0031546 k( 81) = ( -0.1586051 0.1586051 0.3647303), wk = 0.0031546 k( 82) = ( -0.1650465 0.1650465 0.3582889), wk = 0.0031546 k( 83) = ( -0.1714879 0.1714879 0.3518475), wk = 0.0031546 k( 84) = ( -0.1779293 0.1779293 0.3454061), wk = 0.0031546 k( 85) = ( -0.1843707 0.1843707 0.3389647), wk = 0.0031546 k( 86) = ( -0.1908122 0.1908121 0.3325233), wk = 0.0031546 k( 87) = ( -0.1972536 0.1972536 0.3260818), wk = 0.0031546 k( 88) = ( -0.2036950 0.2036950 0.3196404), wk = 0.0031546 k( 89) = ( -0.2101364 0.2101364 0.3131990), wk = 0.0031546 k( 90) = ( -0.2165778 0.2165778 0.3067576), wk = 0.0031546 k( 91) = ( -0.2230192 0.2230192 0.3003162), wk = 0.0031546 k( 92) = ( -0.2294606 0.2294606 0.2938748), wk = 0.0031546 k( 93) = ( -0.2359021 0.2359021 0.2874333), wk = 0.0031546 k( 94) = ( -0.2423435 0.2423435 0.2809919), wk = 0.0031546 k( 95) = ( -0.2487849 0.2487849 0.2745505), wk = 0.0031546 k( 96) = ( -0.2552263 0.2552263 0.2681091), wk = 0.0031546 k( 97) = ( -0.2616677 0.2616677 0.2616677), wk = 0.0031546 k( 98) = ( -0.2616677 0.2616677 0.2616677), wk = 0.0031546 k( 99) = ( -0.2551260 0.2551260 0.2551260), wk = 0.0031546 k( 100) = ( -0.2485843 0.2485843 0.2485843), wk = 0.0031546 k( 101) = ( -0.2420426 0.2420426 0.2420426), wk = 0.0031546 k( 102) = ( -0.2355009 0.2355009 0.2355009), wk = 0.0031546 k( 103) = ( -0.2289592 0.2289592 0.2289592), wk = 0.0031546 k( 104) = ( -0.2224175 0.2224175 0.2224176), wk = 0.0031546 k( 105) = ( -0.2158759 0.2158759 0.2158759), wk = 0.0031546 k( 106) = ( -0.2093342 0.2093342 0.2093342), wk = 0.0031546 k( 107) = ( -0.2027925 0.2027925 0.2027925), wk = 0.0031546 k( 108) = ( -0.1962508 0.1962508 0.1962508), wk = 0.0031546 k( 109) = ( -0.1897091 0.1897091 0.1897091), wk = 0.0031546 k( 110) = ( -0.1831674 0.1831674 0.1831674), wk = 0.0031546 k( 111) = ( -0.1766257 0.1766257 0.1766257), wk = 0.0031546 k( 112) = ( -0.1700840 0.1700840 0.1700840), wk = 0.0031546 k( 113) = ( -0.1635423 0.1635423 0.1635423), wk = 0.0031546 k( 114) = ( -0.1570006 0.1570006 0.1570006), wk = 0.0031546 k( 115) = ( -0.1504589 0.1504589 0.1504589), wk = 0.0031546 k( 116) = ( -0.1439172 0.1439172 0.1439172), wk = 0.0031546 k( 117) = ( -0.1373755 0.1373755 0.1373755), wk = 0.0031546 k( 118) = ( -0.1308339 0.1308339 0.1308339), wk = 0.0031546 k( 119) = ( -0.1242922 0.1242922 0.1242922), wk = 0.0031546 k( 120) = ( -0.1177505 0.1177505 0.1177505), wk = 0.0031546 k( 121) = ( -0.1112088 0.1112088 0.1112088), wk = 0.0031546 k( 122) = ( -0.1046671 0.1046671 0.1046671), wk = 0.0031546 k( 123) = ( -0.0981254 0.0981254 0.0981254), wk = 0.0031546 k( 124) = ( -0.0915837 0.0915837 0.0915837), wk = 0.0031546 k( 125) = ( -0.0850420 0.0850420 0.0850420), wk = 0.0031546 k( 126) = ( -0.0785003 0.0785003 0.0785003), wk = 0.0031546 k( 127) = ( -0.0719586 0.0719586 0.0719586), wk = 0.0031546 k( 128) = ( -0.0654169 0.0654169 0.0654169), wk = 0.0031546 k( 129) = ( -0.0588752 0.0588752 0.0588752), wk = 0.0031546 k( 130) = ( -0.0523335 0.0523335 0.0523335), wk = 0.0031546 k( 131) = ( -0.0457919 0.0457918 0.0457919), wk = 0.0031546 k( 132) = ( -0.0392502 0.0392502 0.0392502), wk = 0.0031546 k( 133) = ( -0.0327085 0.0327085 0.0327085), wk = 0.0031546 k( 134) = ( -0.0261668 0.0261668 0.0261668), wk = 0.0031546 k( 135) = ( -0.0196251 0.0196251 0.0196251), wk = 0.0031546 k( 136) = ( -0.0130834 0.0130834 0.0130834), wk = 0.0031546 k( 137) = ( -0.0065417 0.0065417 0.0065417), wk = 0.0031546 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 140) = ( 0.0294118 0.0294118 -0.0294118), wk = 0.0031546 k( 141) = ( 0.0588235 0.0588235 -0.0588235), wk = 0.0031546 k( 142) = ( 0.0882353 0.0882353 -0.0882353), wk = 0.0031546 k( 143) = ( 0.1176471 0.1176471 -0.1176471), wk = 0.0031546 k( 144) = ( 0.1470588 0.1470588 -0.1470588), wk = 0.0031546 k( 145) = ( 0.1764706 0.1764706 -0.1764706), wk = 0.0031546 k( 146) = ( 0.2058823 0.2058823 -0.2058823), wk = 0.0031546 k( 147) = ( 0.2352941 0.2352941 -0.2352941), wk = 0.0031546 k( 148) = ( 0.2647059 0.2647059 -0.2647059), wk = 0.0031546 k( 149) = ( 0.2941177 0.2941177 -0.2941177), wk = 0.0031546 k( 150) = ( 0.3235294 0.3235294 -0.3235294), wk = 0.0031546 k( 151) = ( 0.3529412 0.3529412 -0.3529412), wk = 0.0031546 k( 152) = ( 0.3823529 0.3823529 -0.3823529), wk = 0.0031546 k( 153) = ( 0.4117647 0.4117647 -0.4117647), wk = 0.0031546 k( 154) = ( 0.4411765 0.4411765 -0.4411765), wk = 0.0031546 k( 155) = ( 0.4705882 0.4705882 -0.4705882), wk = 0.0031546 k( 156) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031546 k( 157) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031546 k( 158) = ( 0.4935586 0.5064414 -0.4935586), wk = 0.0031546 k( 159) = ( 0.4871172 0.5128828 -0.4871172), wk = 0.0031546 k( 160) = ( 0.4806758 0.5193242 -0.4806758), wk = 0.0031546 k( 161) = ( 0.4742344 0.5257656 -0.4742344), wk = 0.0031546 k( 162) = ( 0.4677929 0.5322071 -0.4677929), wk = 0.0031546 k( 163) = ( 0.4613515 0.5386485 -0.4613515), wk = 0.0031546 k( 164) = ( 0.4549101 0.5450899 -0.4549101), wk = 0.0031546 k( 165) = ( 0.4484687 0.5515313 -0.4484687), wk = 0.0031546 k( 166) = ( 0.4420273 0.5579727 -0.4420273), wk = 0.0031546 k( 167) = ( 0.4355859 0.5644141 -0.4355859), wk = 0.0031546 k( 168) = ( 0.4291445 0.5708555 -0.4291445), wk = 0.0031546 k( 169) = ( 0.4227030 0.5772970 -0.4227030), wk = 0.0031546 k( 170) = ( 0.4162616 0.5837384 -0.4162616), wk = 0.0031546 k( 171) = ( 0.4098202 0.5901798 -0.4098202), wk = 0.0031546 k( 172) = ( 0.4033788 0.5966212 -0.4033788), wk = 0.0031546 k( 173) = ( 0.3969374 0.6030626 -0.3969374), wk = 0.0031546 k( 174) = ( 0.3904960 0.6095040 -0.3904960), wk = 0.0031546 k( 175) = ( 0.3840546 0.6159454 -0.3840546), wk = 0.0031546 k( 176) = ( 0.3776131 0.6223869 -0.3776131), wk = 0.0031546 k( 177) = ( 0.3711717 0.6288283 -0.3711717), wk = 0.0031546 k( 178) = ( 0.3647303 0.6352697 -0.3647303), wk = 0.0031546 k( 179) = ( 0.3582889 0.6417111 -0.3582889), wk = 0.0031546 k( 180) = ( 0.3518475 0.6481525 -0.3518475), wk = 0.0031546 k( 181) = ( 0.3454061 0.6545939 -0.3454061), wk = 0.0031546 k( 182) = ( 0.3389647 0.6610353 -0.3389647), wk = 0.0031546 k( 183) = ( 0.3325232 0.6674767 -0.3325232), wk = 0.0031546 k( 184) = ( 0.3260818 0.6739182 -0.3260818), wk = 0.0031546 k( 185) = ( 0.3196404 0.6803596 -0.3196404), wk = 0.0031546 k( 186) = ( 0.3131990 0.6868010 -0.3131990), wk = 0.0031546 k( 187) = ( 0.3067576 0.6932424 -0.3067576), wk = 0.0031546 k( 188) = ( 0.3003162 0.6996838 -0.3003162), wk = 0.0031546 k( 189) = ( 0.2938748 0.7061252 -0.2938748), wk = 0.0031546 k( 190) = ( 0.2874333 0.7125666 -0.2874333), wk = 0.0031546 k( 191) = ( 0.2809919 0.7190081 -0.2809919), wk = 0.0031546 k( 192) = ( 0.2745505 0.7254495 -0.2745505), wk = 0.0031546 k( 193) = ( 0.2681091 0.7318909 -0.2681091), wk = 0.0031546 k( 194) = ( 0.2616677 0.7383323 -0.2616677), wk = 0.0031546 k( 195) = ( 0.2616677 0.7383323 -0.2616677), wk = 0.0031546 k( 196) = ( 0.2325935 0.7118509 -0.2325935), wk = 0.0031546 k( 197) = ( 0.2035193 0.6853696 -0.2035193), wk = 0.0031546 k( 198) = ( 0.1744451 0.6588882 -0.1744451), wk = 0.0031546 k( 199) = ( 0.1453709 0.6324068 -0.1453709), wk = 0.0031546 k( 200) = ( 0.1162968 0.6059255 -0.1162968), wk = 0.0031546 k( 201) = ( 0.0872226 0.5794441 -0.0872226), wk = 0.0031546 k( 202) = ( 0.0581484 0.5529627 -0.0581484), wk = 0.0031546 k( 203) = ( 0.0290742 0.5264814 -0.0290742), wk = 0.0031546 k( 204) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031546 k( 205) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031546 k( 206) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0031546 k( 207) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0031546 k( 208) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0031546 k( 209) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0031546 k( 210) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0031546 k( 211) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0031546 k( 212) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0031546 k( 213) = ( 0.0512821 0.4487179 0.0512820), wk = 0.0031546 k( 214) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0031546 k( 215) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0031546 k( 216) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0031546 k( 217) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0031546 k( 218) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0031546 k( 219) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0031546 k( 220) = ( 0.0961538 0.4038461 0.0961539), wk = 0.0031546 k( 221) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0031546 k( 222) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0031546 k( 223) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0031546 k( 224) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0031546 k( 225) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0031546 k( 226) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0031546 k( 227) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0031546 k( 228) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0031546 k( 229) = ( 0.1538461 0.3461539 0.1538461), wk = 0.0031546 k( 230) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0031546 k( 231) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0031546 k( 232) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0031546 k( 233) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0031546 k( 234) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0031546 k( 235) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0031546 k( 236) = ( 0.1987180 0.3012821 0.1987179), wk = 0.0031546 k( 237) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0031546 k( 238) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0031546 k( 239) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0031546 k( 240) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0031546 k( 241) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0031546 k( 242) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0031546 k( 243) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0031546 k( 244) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031546 k( 245) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031546 k( 246) = ( 0.2777778 0.2777778 0.2196294), wk = 0.0031546 k( 247) = ( 0.3055556 0.3055556 0.1892588), wk = 0.0031546 k( 248) = ( 0.3333333 0.3333333 0.1588882), wk = 0.0031546 k( 249) = ( 0.3611111 0.3611111 0.1285176), wk = 0.0031546 k( 250) = ( 0.3888889 0.3888889 0.0981470), wk = 0.0031546 k( 251) = ( 0.4166667 0.4166667 0.0677764), wk = 0.0031546 k( 252) = ( 0.4444444 0.4444444 0.0374058), wk = 0.0031546 k( 253) = ( 0.4722222 0.4722222 0.0070352), wk = 0.0031546 k( 254) = ( 0.5000000 0.5000000 -0.0233354), wk = 0.0031546 k( 255) = ( 0.5000000 0.5000000 -0.0233354), wk = 0.0031546 k( 256) = ( 0.5000000 0.5000000 -0.0325020), wk = 0.0031546 k( 257) = ( 0.5000000 0.5000000 -0.0416687), wk = 0.0031546 k( 258) = ( 0.5000000 0.5000000 -0.0508353), wk = 0.0031546 k( 259) = ( 0.5000000 0.5000000 -0.0600019), wk = 0.0031546 k( 260) = ( 0.5000000 0.5000000 -0.0691685), wk = 0.0031546 k( 261) = ( 0.5000000 0.5000000 -0.0783352), wk = 0.0031546 k( 262) = ( 0.5000000 0.5000000 -0.0875018), wk = 0.0031546 k( 263) = ( 0.5000000 0.5000000 -0.0966684), wk = 0.0031546 k( 264) = ( 0.5000000 0.5000000 -0.1058350), wk = 0.0031546 k( 265) = ( 0.5000000 0.5000000 -0.1150017), wk = 0.0031546 k( 266) = ( 0.5000000 0.5000000 -0.1241683), wk = 0.0031546 k( 267) = ( 0.5000000 0.5000000 -0.1333349), wk = 0.0031546 k( 268) = ( 0.5000000 0.5000000 -0.1425016), wk = 0.0031546 k( 269) = ( 0.5000000 0.5000000 -0.1516682), wk = 0.0031546 k( 270) = ( 0.5000000 0.5000000 -0.1608348), wk = 0.0031546 k( 271) = ( 0.5000000 0.5000000 -0.1700014), wk = 0.0031546 k( 272) = ( 0.5000000 0.5000000 -0.1791681), wk = 0.0031546 k( 273) = ( 0.5000000 0.5000000 -0.1883347), wk = 0.0031546 k( 274) = ( 0.5000000 0.5000000 -0.1975013), wk = 0.0031546 k( 275) = ( 0.5000000 0.5000000 -0.2066679), wk = 0.0031546 k( 276) = ( 0.5000000 0.5000000 -0.2158346), wk = 0.0031546 k( 277) = ( 0.5000000 0.5000000 -0.2250012), wk = 0.0031546 k( 278) = ( 0.5000000 0.5000000 -0.2341678), wk = 0.0031546 k( 279) = ( 0.5000000 0.5000000 -0.2433345), wk = 0.0031546 k( 280) = ( 0.5000000 0.5000000 -0.2525011), wk = 0.0031546 k( 281) = ( 0.5000000 0.5000000 -0.2616677), wk = 0.0031546 k( 282) = ( 0.5000000 0.5000000 -0.2708343), wk = 0.0031546 k( 283) = ( 0.5000000 0.5000000 -0.2800010), wk = 0.0031546 k( 284) = ( 0.5000000 0.5000000 -0.2891676), wk = 0.0031546 k( 285) = ( 0.5000000 0.5000000 -0.2983342), wk = 0.0031546 k( 286) = ( 0.5000000 0.5000000 -0.3075008), wk = 0.0031546 k( 287) = ( 0.5000000 0.5000000 -0.3166675), wk = 0.0031546 k( 288) = ( 0.5000000 0.5000000 -0.3258341), wk = 0.0031546 k( 289) = ( 0.5000000 0.5000000 -0.3350007), wk = 0.0031546 k( 290) = ( 0.5000000 0.5000000 -0.3441673), wk = 0.0031546 k( 291) = ( 0.5000000 0.5000000 -0.3533340), wk = 0.0031546 k( 292) = ( 0.5000000 0.5000000 -0.3625006), wk = 0.0031546 k( 293) = ( 0.5000000 0.5000000 -0.3716672), wk = 0.0031546 k( 294) = ( 0.5000000 0.5000000 -0.3808339), wk = 0.0031546 k( 295) = ( 0.5000000 0.5000000 -0.3900005), wk = 0.0031546 k( 296) = ( 0.5000000 0.5000000 -0.3991671), wk = 0.0031546 k( 297) = ( 0.5000000 0.5000000 -0.4083337), wk = 0.0031546 k( 298) = ( 0.5000000 0.5000000 -0.4175004), wk = 0.0031546 k( 299) = ( 0.5000000 0.5000000 -0.4266670), wk = 0.0031546 k( 300) = ( 0.5000000 0.5000000 -0.4358336), wk = 0.0031546 k( 301) = ( 0.5000000 0.5000000 -0.4450002), wk = 0.0031546 k( 302) = ( 0.5000000 0.5000000 -0.4541669), wk = 0.0031546 k( 303) = ( 0.5000000 0.5000000 -0.4633335), wk = 0.0031546 k( 304) = ( 0.5000000 0.5000000 -0.4725001), wk = 0.0031546 k( 305) = ( 0.5000000 0.5000000 -0.4816668), wk = 0.0031546 k( 306) = ( 0.5000000 0.5000000 -0.4908334), wk = 0.0031546 k( 307) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031546 k( 308) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031546 k( 309) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0031546 k( 310) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0031546 k( 311) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0031546 k( 312) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0031546 k( 313) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0031546 k( 314) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0031546 k( 315) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0031546 k( 316) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0031546 k( 317) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031546 Dense grid: 107847 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 52401 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 370, 82) NL pseudopotentials 0.70 Mb ( 185, 248) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.02 Mb ( 2996) G-vector shells 0.01 Mb ( 1432) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.85 Mb ( 370, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.62 Mb ( 248, 2, 82) The potential is recalculated from file : ./Ba2Fe2S2OF2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.0 secs Computing kpt #: 2 total cpu time spent up to now is 9.9 secs Computing kpt #: 3 total cpu time spent up to now is 12.7 secs Computing kpt #: 4 total cpu time spent up to now is 15.4 secs Computing kpt #: 5 total cpu time spent up to now is 18.3 secs Computing kpt #: 6 total cpu time spent up to now is 21.1 secs Computing kpt #: 7 total cpu time spent up to now is 23.8 secs Computing kpt #: 8 total cpu time spent up to now is 26.5 secs Computing kpt #: 9 total cpu time spent up to now is 29.2 secs Computing kpt #: 10 total cpu time spent up to now is 32.0 secs Computing kpt #: 11 total cpu time spent up to now is 34.7 secs Computing kpt #: 12 total cpu time spent up to now is 37.5 secs Computing kpt #: 13 total cpu time spent up to now is 40.3 secs Computing kpt #: 14 total cpu time spent up to now is 43.1 secs Computing kpt #: 15 total cpu time spent up to now is 45.9 secs Computing kpt #: 16 total cpu time spent up to now is 48.7 secs Computing kpt #: 17 total cpu time spent up to now is 51.6 secs Computing kpt #: 18 total cpu time spent up to now is 54.4 secs Computing kpt #: 19 total cpu time spent up to now is 57.3 secs Computing kpt #: 20 total cpu time spent up to now is 60.2 secs Computing kpt #: 21 total cpu time spent up to now is 63.0 secs Computing kpt #: 22 total cpu time spent up to now is 65.8 secs Computing kpt #: 23 total cpu time spent up to now is 68.7 secs Computing kpt #: 24 total cpu time spent up to now is 71.6 secs Computing kpt #: 25 total cpu time spent up to now is 74.5 secs Computing kpt #: 26 total cpu time spent up to now is 77.5 secs Computing kpt #: 27 total cpu time spent up to now is 80.4 secs Computing kpt #: 28 total cpu time spent up to now is 83.3 secs Computing kpt #: 29 total cpu time spent up to now is 86.3 secs Computing kpt #: 30 total cpu time spent up to now is 89.2 secs Computing kpt #: 31 total cpu time spent up to now is 92.6 secs Computing kpt #: 32 total cpu time spent up to now is 96.0 secs Computing kpt #: 33 total cpu time spent up to now is 99.5 secs Computing kpt #: 34 total cpu time spent up to now is 103.5 secs Computing kpt #: 35 total cpu time spent up to now is 106.4 secs Computing kpt #: 36 total cpu time spent up to now is 109.4 secs Computing kpt #: 37 total cpu time spent up to now is 112.3 secs Computing kpt #: 38 total cpu time spent up to now is 115.3 secs Computing kpt #: 39 total cpu time spent up to now is 118.2 secs Computing kpt #: 40 total cpu time spent up to now is 121.2 secs Computing kpt #: 41 total cpu time spent up to now is 124.1 secs Computing kpt #: 42 total cpu time spent up to now is 127.0 secs Computing kpt #: 43 total cpu time spent up to now is 129.9 secs Computing kpt #: 44 total cpu time spent up to now is 132.7 secs Computing kpt #: 45 total cpu time spent up to now is 135.5 secs Computing kpt #: 46 total cpu time spent up to now is 138.3 secs Computing kpt #: 47 total cpu time spent up to now is 141.1 secs Computing kpt #: 48 total cpu time spent up to now is 143.8 secs Computing kpt #: 49 total cpu time spent up to now is 146.6 secs Computing kpt #: 50 total cpu time spent up to now is 149.3 secs Computing kpt #: 51 total cpu time spent up to now is 152.1 secs Computing kpt #: 52 total cpu time spent up to now is 154.7 secs Computing kpt #: 53 total cpu time spent up to now is 157.4 secs Computing kpt #: 54 total cpu time spent up to now is 160.2 secs Computing kpt #: 55 total cpu time spent up to now is 162.9 secs Computing kpt #: 56 total cpu time spent up to now is 165.7 secs Computing kpt #: 57 total cpu time spent up to now is 168.4 secs Computing kpt #: 58 total cpu time spent up to now is 171.1 secs Computing kpt #: 59 total cpu time spent up to now is 173.9 secs Computing kpt #: 60 total cpu time spent up to now is 176.9 secs Computing kpt #: 61 total cpu time spent up to now is 179.7 secs Computing kpt #: 62 total cpu time spent up to now is 182.4 secs Computing kpt #: 63 total cpu time spent up to now is 185.2 secs Computing kpt #: 64 total cpu time spent up to now is 188.0 secs Computing kpt #: 65 total cpu time spent up to now is 190.8 secs Computing kpt #: 66 total cpu time spent up to now is 193.6 secs Computing kpt #: 67 total cpu time spent up to now is 196.4 secs Computing kpt #: 68 total cpu time spent up to now is 199.1 secs Computing kpt #: 69 total cpu time spent up to now is 201.9 secs Computing kpt #: 70 total cpu time spent up to now is 204.7 secs Computing kpt #: 71 total cpu time spent up to now is 207.5 secs Computing kpt #: 72 total cpu time spent up to now is 211.6 secs Computing kpt #: 73 total cpu time spent up to now is 214.5 secs Computing kpt #: 74 total cpu time spent up to now is 217.4 secs Computing kpt #: 75 total cpu time spent up to now is 220.2 secs Computing kpt 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spent up to now is 268.0 secs Computing kpt #: 92 total cpu time spent up to now is 270.9 secs Computing kpt #: 93 total cpu time spent up to now is 273.8 secs Computing kpt #: 94 total cpu time spent up to now is 276.7 secs Computing kpt #: 95 total cpu time spent up to now is 279.6 secs Computing kpt #: 96 total cpu time spent up to now is 282.5 secs Computing kpt #: 97 total cpu time spent up to now is 285.4 secs Computing kpt #: 98 total cpu time spent up to now is 288.3 secs Computing kpt #: 99 total cpu time spent up to now is 291.1 secs Computing kpt #: 100 total cpu time spent up to now is 294.0 secs Computing kpt #: 101 total cpu time spent up to now is 296.9 secs Computing kpt #: 102 total cpu time spent up to now is 299.7 secs Computing kpt #: 103 total cpu time spent up to now is 302.6 secs Computing kpt #: 104 total cpu time spent up to now is 305.5 secs Computing kpt #: 105 total cpu time spent up to now is 308.4 secs Computing kpt #: 106 total cpu time spent up to now is 311.3 secs Computing kpt #: 107 total cpu time spent up to now is 314.2 secs Computing kpt #: 108 total cpu time spent up to now is 317.1 secs Computing kpt #: 109 total cpu time spent up to now is 320.0 secs Computing kpt #: 110 total cpu time spent up to now is 322.8 secs Computing kpt #: 111 total cpu time spent up to now is 325.7 secs Computing kpt #: 112 total cpu time spent up to now is 328.5 secs Computing kpt #: 113 total cpu time spent up to now is 331.4 secs Computing kpt #: 114 total cpu time spent up to now is 334.2 secs Computing kpt #: 115 total cpu time spent up to now is 337.1 secs Computing kpt #: 116 total cpu time spent up to now is 340.0 secs Computing kpt #: 117 total cpu time spent up to now is 343.0 secs Computing kpt #: 118 total cpu time spent up to now is 345.9 secs Computing kpt #: 119 total cpu time spent up to now is 348.9 secs Computing kpt #: 120 total cpu time spent up to now is 351.8 secs Computing kpt #: 121 total cpu time spent up to now is 354.6 secs Computing kpt #: 122 total cpu time spent up to now is 357.4 secs Computing kpt #: 123 total cpu time spent up to now is 360.2 secs Computing kpt #: 124 total cpu time spent up to now is 363.0 secs Computing kpt #: 125 total cpu time spent up to now is 365.7 secs Computing kpt #: 126 total cpu time spent up to now is 368.5 secs Computing kpt #: 127 total cpu time spent up to now is 371.2 secs Computing kpt #: 128 total cpu time spent up to now is 373.9 secs Computing kpt #: 129 total cpu time spent up to now is 376.7 secs Computing kpt #: 130 total cpu time spent up to now is 379.5 secs Computing kpt #: 131 total cpu time spent up to now is 382.2 secs Computing kpt #: 132 total cpu time spent up to now is 385.0 secs Computing kpt #: 133 total cpu time spent up to now is 387.8 secs Computing kpt #: 134 total cpu time spent up to now is 390.7 secs Computing kpt #: 135 total cpu time spent up to now is 393.5 secs Computing kpt #: 136 total cpu time spent up to now is 396.3 secs Computing kpt #: 137 total cpu time spent up to now is 399.0 secs Computing kpt #: 138 total cpu time spent up to now is 402.0 secs Computing kpt #: 139 total cpu time spent up to now is 404.9 secs Computing kpt #: 140 total cpu time spent up to now is 407.6 secs Computing kpt #: 141 total cpu time spent up to now is 410.4 secs Computing kpt #: 142 total cpu time spent up to now is 413.4 secs Computing kpt #: 143 total cpu time spent up to now is 416.2 secs Computing kpt #: 144 total cpu time spent up to now is 419.1 secs Computing kpt #: 145 total cpu time spent up to now is 421.9 secs Computing kpt #: 146 total cpu time spent up to now is 424.7 secs Computing kpt #: 147 total cpu time spent up to now is 427.6 secs Computing kpt #: 148 total cpu time spent up to now is 430.5 secs Computing kpt #: 149 total cpu time spent up to now is 433.5 secs Computing kpt #: 150 total cpu time spent up to now is 436.4 secs Computing kpt #: 151 total cpu time spent up to now is 439.2 secs Computing kpt #: 152 total cpu time spent up to now is 442.1 secs Computing kpt #: 153 total cpu time spent up to now is 445.0 secs Computing kpt #: 154 total cpu time spent up to now is 447.9 secs Computing kpt #: 155 total cpu time spent up to now is 450.7 secs Computing kpt #: 156 total cpu time spent up to now is 453.6 secs Computing kpt #: 157 total cpu time spent up to now is 456.4 secs Computing kpt #: 158 total cpu time spent up to now is 459.3 secs Computing kpt #: 159 total cpu time spent up to now is 462.1 secs Computing kpt #: 160 total cpu time spent up to now is 465.0 secs Computing kpt #: 161 total cpu time spent up to now is 467.7 secs Computing kpt #: 162 total cpu time spent up to now is 470.5 secs Computing kpt #: 163 total cpu time spent up to now is 473.2 secs Computing kpt #: 164 total cpu time spent up to now is 476.0 secs Computing kpt #: 165 total cpu time spent up to now is 478.7 secs Computing kpt #: 166 total cpu time spent up to now is 481.5 secs Computing kpt #: 167 total cpu time spent up to now is 484.3 secs Computing kpt #: 168 total cpu time spent up to now is 487.1 secs Computing kpt #: 169 total cpu time spent up to now is 490.0 secs Computing kpt #: 170 total cpu time spent up to now is 492.8 secs Computing kpt #: 171 total cpu time spent up to now is 495.7 secs Computing kpt #: 172 total cpu time spent up to now is 498.6 secs Computing kpt #: 173 total cpu time spent up to now is 501.4 secs Computing kpt #: 174 total cpu time spent up to now is 504.3 secs Computing kpt #: 175 total cpu time spent up to now is 507.1 secs Computing kpt #: 176 total cpu time spent up to now is 509.8 secs Computing kpt #: 177 total cpu time spent up to now is 512.7 secs Computing kpt #: 178 total cpu time spent up to now is 515.5 secs Computing kpt #: 179 total cpu time spent up to now is 518.3 secs Computing kpt #: 180 total cpu time spent up to now is 521.1 secs Computing kpt #: 181 total cpu time spent up to now is 524.0 secs Computing kpt #: 182 total cpu time spent up to now is 526.8 secs Computing kpt #: 183 total cpu time spent up to now is 529.8 secs Computing kpt #: 184 total cpu time spent up to now is 532.7 secs Computing kpt #: 185 total cpu time spent up to now is 535.6 secs Computing kpt #: 186 total cpu time spent up to now is 538.5 secs Computing kpt #: 187 total cpu time spent up to now is 541.4 secs Computing kpt #: 188 total cpu time spent up to now is 544.3 secs Computing kpt #: 189 total cpu time spent up to now is 547.3 secs Computing kpt #: 190 total cpu time spent up to now is 550.2 secs Computing kpt #: 191 total cpu time spent up to now is 553.1 secs Computing kpt #: 192 total cpu time spent up to now is 556.0 secs Computing kpt #: 193 total cpu time spent up to now is 558.9 secs Computing kpt #: 194 total cpu time spent up to now is 561.7 secs Computing kpt #: 195 total cpu time spent up to now is 564.6 secs Computing kpt #: 196 total cpu time spent up to now is 567.5 secs Computing kpt #: 197 total cpu time spent up to now is 570.4 secs Computing kpt #: 198 total cpu time spent up to now is 573.2 secs Computing kpt #: 199 total cpu time spent up to now is 576.1 secs Computing kpt #: 200 total cpu time spent up to now is 579.0 secs Computing kpt #: 201 total cpu time spent up to now is 581.9 secs Computing kpt #: 202 total cpu time spent up to now is 584.8 secs Computing kpt #: 203 total cpu time spent up to now is 587.6 secs Computing kpt #: 204 total cpu time spent up to now is 590.5 secs Computing kpt #: 205 total cpu time spent up to now is 593.4 secs Computing kpt #: 206 total cpu time spent up to now is 596.2 secs Computing kpt #: 207 total cpu time spent up to now is 599.1 secs Computing kpt #: 208 total cpu time spent up to now is 602.0 secs Computing kpt #: 209 total cpu time spent up to now is 604.9 secs Computing kpt #: 210 total cpu time spent up to now is 607.8 secs Computing kpt #: 211 total cpu time spent up to now is 610.7 secs Computing kpt #: 212 total cpu time spent up to now is 613.6 secs Computing kpt #: 213 total cpu time spent up to now is 616.5 secs Computing kpt #: 214 total cpu time spent up to now is 619.4 secs Computing kpt #: 215 total cpu time spent up to now is 622.3 secs Computing kpt #: 216 total cpu time spent up to now is 625.2 secs Computing kpt #: 217 total cpu time spent up to now is 628.2 secs Computing kpt #: 218 total cpu time spent up to now is 631.1 secs Computing kpt #: 219 total cpu time spent up to now is 634.0 secs Computing kpt #: 220 total cpu time spent up to now is 637.0 secs Computing kpt #: 221 total cpu time spent up to now is 639.9 secs Computing kpt #: 222 total cpu time spent up to now is 642.8 secs Computing kpt #: 223 total cpu time spent up to now is 645.7 secs Computing kpt #: 224 total cpu time spent up to now is 648.6 secs Computing kpt #: 225 total cpu time spent up to now is 651.6 secs Computing kpt #: 226 total cpu time spent up to now is 654.5 secs Computing kpt #: 227 total cpu time spent up to now is 657.5 secs Computing kpt #: 228 total cpu time spent up to now is 660.3 secs Computing kpt #: 229 total cpu time spent up to now is 663.2 secs Computing kpt #: 230 total cpu time spent up to now is 666.1 secs Computing kpt #: 231 total cpu time spent up to now is 668.9 secs Computing kpt #: 232 total cpu time spent up to now is 671.7 secs Computing kpt #: 233 total cpu time spent up to now is 674.5 secs Computing kpt #: 234 total cpu time spent up to now is 677.3 secs Computing kpt #: 235 total cpu time spent up to now is 680.0 secs Computing kpt #: 236 total cpu time spent up to now is 682.8 secs Computing kpt #: 237 total cpu time spent up to now is 685.5 secs Computing kpt #: 238 total cpu time spent up to now is 688.2 secs Computing kpt #: 239 total cpu time spent up to now is 690.9 secs Computing kpt #: 240 total cpu time spent up to now is 693.6 secs Computing kpt #: 241 total cpu time spent up to now is 696.3 secs Computing kpt #: 242 total cpu time spent up to now is 699.0 secs Computing kpt #: 243 total cpu time spent up to now is 702.1 secs Computing kpt #: 244 total cpu time spent up to now is 704.9 secs Computing kpt #: 245 total cpu time spent up to now is 707.6 secs Computing kpt #: 246 total cpu time spent up to now is 710.3 secs Computing kpt #: 247 total cpu time spent up to now is 713.0 secs Computing kpt #: 248 total cpu time spent up to now is 715.7 secs Computing kpt #: 249 total cpu time spent up to now is 718.4 secs Computing kpt #: 250 total cpu time spent up to now is 721.1 secs Computing kpt #: 251 total cpu time spent up to now is 723.8 secs Computing kpt #: 252 total cpu time spent up to now is 726.5 secs Computing kpt #: 253 total cpu time spent up to now is 729.2 secs Computing kpt #: 254 total cpu time spent up to now is 731.9 secs Computing kpt #: 255 total cpu time spent up to now is 734.7 secs Computing kpt #: 256 total cpu time spent up to now is 737.4 secs Computing kpt #: 257 total cpu time spent up to now is 740.2 secs Computing kpt #: 258 total cpu time spent up to now is 742.9 secs Computing kpt #: 259 total cpu time spent up to now is 745.7 secs Computing kpt #: 260 total cpu time spent up to now is 748.5 secs Computing kpt #: 261 total cpu time spent up to now is 751.3 secs Computing kpt #: 262 total cpu time spent up to now is 754.0 secs Computing kpt #: 263 total cpu time spent up to now is 756.8 secs Computing kpt #: 264 total cpu time spent up to now is 759.5 secs Computing kpt #: 265 total cpu time spent up to now is 762.3 secs Computing kpt #: 266 total cpu time spent up to now is 765.1 secs Computing kpt #: 267 total cpu time spent up to now is 767.9 secs Computing kpt #: 268 total cpu time spent up to now is 770.7 secs Computing kpt #: 269 total cpu time spent up to now is 773.5 secs Computing kpt #: 270 total cpu time spent up to now is 776.4 secs Computing kpt #: 271 total cpu time spent up to now is 779.2 secs Computing kpt #: 272 total cpu time spent up to now is 782.0 secs Computing kpt #: 273 total cpu time spent up to now is 784.9 secs Computing kpt #: 274 total cpu time spent up to now is 787.7 secs Computing kpt #: 275 total cpu time spent up to now is 790.6 secs Computing kpt #: 276 total cpu time spent up to now is 793.5 secs Computing kpt #: 277 total cpu time spent up to now is 796.3 secs Computing kpt #: 278 total cpu time spent up to now is 799.3 secs Computing kpt #: 279 total cpu time spent up to now is 802.2 secs Computing kpt #: 280 total cpu time spent up to now is 805.1 secs Computing kpt #: 281 total cpu time spent up to now is 808.1 secs Computing kpt #: 282 total cpu time spent up to now is 811.0 secs Computing kpt #: 283 total cpu time spent up to now is 813.9 secs Computing kpt #: 284 total cpu time spent up to now is 816.9 secs Computing kpt #: 285 total cpu time spent up to now is 819.8 secs Computing kpt #: 286 total cpu time spent up to now is 822.7 secs Computing kpt #: 287 total cpu time spent up to now is 825.6 secs Computing kpt #: 288 total cpu time spent up to now is 828.5 secs Computing kpt #: 289 total cpu time spent up to now is 831.4 secs Computing kpt #: 290 total cpu time spent up to now is 834.4 secs Computing kpt #: 291 total cpu time spent up to now is 837.3 secs Computing kpt #: 292 total cpu time spent up to now is 840.2 secs Computing kpt #: 293 total cpu time spent up to now is 843.1 secs Computing kpt #: 294 total cpu time spent up to now is 846.0 secs Computing kpt #: 295 total cpu time spent up to now is 848.8 secs Computing kpt #: 296 total cpu time spent up to now is 851.6 secs Computing kpt #: 297 total cpu time spent up to now is 854.4 secs Computing kpt #: 298 total cpu time spent up to now is 857.2 secs Computing kpt #: 299 total cpu time spent up to now is 860.0 secs Computing kpt #: 300 total cpu time spent up to now is 862.8 secs Computing kpt #: 301 total cpu time spent up to now is 865.6 secs Computing kpt #: 302 total cpu time spent up to now is 868.4 secs Computing kpt #: 303 total cpu time spent up to now is 871.1 secs Computing kpt #: 304 total cpu time spent up to now is 874.0 secs Computing kpt #: 305 total cpu time spent up to now is 876.8 secs Computing kpt #: 306 total cpu time spent up to now is 879.7 secs Computing kpt #: 307 total cpu time spent up to now is 882.5 secs Computing kpt #: 308 total cpu time spent up to now is 885.3 secs Computing kpt #: 309 total cpu time spent up to now is 888.0 secs Computing kpt #: 310 total cpu time spent up to now is 890.8 secs Computing kpt #: 311 total cpu time spent up to now is 893.5 secs Computing kpt #: 312 total cpu time spent up to now is 896.3 secs Computing kpt #: 313 total cpu time spent up to now is 899.0 secs Computing kpt #: 314 total cpu time spent up to now is 901.7 secs Computing kpt #: 315 total cpu time spent up to now is 904.4 secs Computing kpt #: 316 total cpu time spent up to now is 907.1 secs Computing kpt #: 317 total cpu time spent up to now is 909.7 secs ethr = 1.47E-08, avg # of iterations = 18.3 total cpu time spent up to now is 909.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6601 PWs) bands (ev): -18.4639 -18.4639 -18.2428 -18.2428 -14.7006 -14.7006 -14.5753 -14.5753 -9.9267 -9.9267 -4.9212 -4.9212 -4.8914 -4.8914 -4.1203 -4.1203 -3.7260 -3.7260 -2.9885 -2.9885 -2.7225 -2.7225 -2.4975 -2.4975 -2.4638 -2.4638 3.3388 3.3388 3.3419 3.3419 3.4137 3.4137 3.4351 3.4351 4.0490 4.0490 4.0815 4.0815 4.0873 4.0873 4.3512 4.3512 4.4041 4.4041 5.0779 5.0779 5.7047 5.7047 5.7620 5.7620 6.7509 6.7509 6.8435 6.8435 7.1003 7.1003 7.1504 7.1504 8.2429 8.2429 8.4128 8.4128 8.6383 8.6383 8.6701 8.6701 8.8567 8.8567 9.3482 9.3482 9.5616 9.5616 9.7680 9.7680 9.7889 9.7889 10.9409 10.9409 11.7913 11.7913 11.8615 11.8615 k = 0.0000 0.0000 0.0317 ( 6587 PWs) bands (ev): -18.4637 -18.4637 -18.2427 -18.2427 -14.7007 -14.7007 -14.5755 -14.5755 -9.9264 -9.9264 -4.9261 -4.9261 -4.8868 -4.8868 -4.1212 -4.1212 -3.7253 -3.7253 -2.9881 -2.9881 -2.7225 -2.7225 -2.4993 -2.4993 -2.4628 -2.4628 3.3388 3.3388 3.3425 3.3425 3.4135 3.4135 3.4367 3.4367 4.0449 4.0449 4.0812 4.0812 4.0890 4.0890 4.3516 4.3516 4.4045 4.4045 5.0754 5.0754 5.7055 5.7055 5.7627 5.7627 6.7451 6.7451 6.8366 6.8366 7.1003 7.1003 7.1570 7.1570 8.2437 8.2437 8.4161 8.4161 8.6386 8.6386 8.6703 8.6703 8.8573 8.8573 9.3481 9.3481 9.5628 9.5628 9.7659 9.7659 9.7867 9.7867 10.9467 10.9467 11.7962 11.7962 11.8641 11.8641 k = 0.0000 0.0000 0.0634 ( 6577 PWs) bands (ev): -18.4630 -18.4630 -18.2426 -18.2426 -14.7009 -14.7009 -14.5762 -14.5762 -9.9256 -9.9256 -4.9364 -4.9364 -4.8774 -4.8774 -4.1241 -4.1241 -3.7235 -3.7235 -2.9869 -2.9869 -2.7226 -2.7226 -2.5041 -2.5041 -2.4603 -2.4603 3.3388 3.3388 3.3442 3.3442 3.4132 3.4132 3.4410 3.4410 4.0349 4.0349 4.0773 4.0773 4.0944 4.0944 4.3527 4.3527 4.4057 4.4057 5.0680 5.0680 5.7079 5.7079 5.7648 5.7648 6.7275 6.7275 6.8179 6.8179 7.1008 7.1008 7.1750 7.1750 8.2464 8.2464 8.4259 8.4259 8.6392 8.6392 8.6710 8.6710 8.8588 8.8588 9.3475 9.3475 9.5665 9.5665 9.7590 9.7590 9.7810 9.7810 10.9639 10.9639 11.8105 11.8105 11.8722 11.8722 k = 0.0000 0.0000 0.0951 ( 6581 PWs) bands (ev): -18.4619 -18.4619 -18.2423 -18.2423 -14.7013 -14.7013 -14.5772 -14.5772 -9.9241 -9.9241 -4.9485 -4.9485 -4.8669 -4.8669 -4.1287 -4.1287 -3.7205 -3.7205 -2.9849 -2.9849 -2.7227 -2.7227 -2.5110 -2.5110 -2.4572 -2.4572 3.3388 3.3388 3.3470 3.3470 3.4136 3.4136 3.4472 3.4472 4.0220 4.0220 4.0698 4.0698 4.1009 4.1009 4.3543 4.3543 4.4080 4.4080 5.0560 5.0560 5.7112 5.7112 5.7686 5.7686 6.6975 6.6975 6.7919 6.7919 7.1022 7.1022 7.2000 7.2000 8.2507 8.2507 8.4416 8.4416 8.6403 8.6403 8.6721 8.6721 8.8613 8.8613 9.3467 9.3467 9.5726 9.5726 9.7466 9.7466 9.7730 9.7730 10.9919 10.9919 11.8342 11.8342 11.8856 11.8856 k = 0.0000 0.0000 0.1268 ( 6577 PWs) bands (ev): -18.4603 -18.4603 -18.2419 -18.2419 -14.7019 -14.7019 -14.5787 -14.5787 -9.9222 -9.9222 -4.9612 -4.9612 -4.8564 -4.8564 -4.1348 -4.1348 -3.7166 -3.7166 -2.9821 -2.9821 -2.7229 -2.7229 -2.5193 -2.5193 -2.4542 -2.4542 3.3388 3.3388 3.3511 3.3511 3.4150 3.4150 3.4546 3.4546 4.0074 4.0074 4.0589 4.0589 4.1068 4.1068 4.3561 4.3561 4.4117 4.4117 5.0400 5.0400 5.7148 5.7148 5.7744 5.7744 6.6560 6.6560 6.7620 6.7620 7.1045 7.1045 7.2288 7.2288 8.2568 8.2568 8.4627 8.4627 8.6418 8.6418 8.6737 8.6737 8.8650 8.8650 9.3454 9.3454 9.5812 9.5812 9.7286 9.7286 9.7639 9.7639 11.0299 11.0299 11.8668 11.8668 11.9043 11.9043 k = 0.0000 0.0000 0.1584 ( 6581 PWs) bands (ev): -18.4583 -18.4583 -18.2414 -18.2414 -14.7027 -14.7027 -14.5806 -14.5806 -9.9197 -9.9197 -4.9741 -4.9741 -4.8463 -4.8463 -4.1421 -4.1421 -3.7120 -3.7120 -2.9786 -2.9786 -2.7231 -2.7231 -2.5288 -2.5288 -2.4516 -2.4516 3.3391 3.3391 3.3562 3.3562 3.4178 3.4178 3.4630 3.4630 3.9914 3.9914 4.0448 4.0448 4.1116 4.1116 4.3578 4.3578 4.4174 4.4174 5.0205 5.0205 5.7181 5.7181 5.7823 5.7823 6.6049 6.6049 6.7291 6.7291 7.1074 7.1074 7.2595 7.2595 8.2644 8.2644 8.4880 8.4880 8.6438 8.6438 8.6758 8.6758 8.8700 8.8700 9.3439 9.3439 9.5921 9.5921 9.7060 9.7060 9.7537 9.7537 11.0771 11.0771 11.9079 11.9079 11.9284 11.9284 k = 0.0000 0.0000 0.1901 ( 6569 PWs) bands (ev): -18.4558 -18.4558 -18.2408 -18.2408 -14.7036 -14.7036 -14.5829 -14.5829 -9.9166 -9.9166 -4.9870 -4.9870 -4.8369 -4.8369 -4.1502 -4.1502 -3.7071 -3.7071 -2.9745 -2.9745 -2.7232 -2.7232 -2.5392 -2.5392 -2.4495 -2.4495 3.3398 3.3398 3.3624 3.3624 3.4219 3.4219 3.4721 3.4721 3.9743 3.9743 4.0273 4.0273 4.1150 4.1150 4.3591 4.3591 4.4252 4.4252 4.9982 4.9982 5.7207 5.7207 5.7922 5.7922 6.5467 6.5467 6.6933 6.6933 7.1107 7.1107 7.2909 7.2909 8.2735 8.2735 8.5166 8.5166 8.6463 8.6463 8.6786 8.6786 8.8765 8.8765 9.3423 9.3423 9.6055 9.6055 9.6800 9.6800 9.7425 9.7425 11.1325 11.1325 11.9565 11.9565 11.9581 11.9581 k = 0.0000 0.0000 0.2218 ( 6559 PWs) bands (ev): -18.4529 -18.4529 -18.2401 -18.2401 -14.7046 -14.7046 -14.5856 -14.5856 -9.9130 -9.9130 -4.9999 -4.9999 -4.8283 -4.8283 -4.1588 -4.1588 -3.7020 -3.7020 -2.9699 -2.9699 -2.7234 -2.7234 -2.5503 -2.5503 -2.4481 -2.4481 3.3409 3.3409 3.3698 3.3698 3.4273 3.4273 3.4815 3.4815 3.9562 3.9562 4.0066 4.0066 4.1170 4.1170 4.3600 4.3600 4.4353 4.4353 4.9738 4.9738 5.7225 5.7225 5.8037 5.8037 6.4830 6.4830 6.6545 6.6545 7.1140 7.1140 7.3224 7.3224 8.2841 8.2841 8.5467 8.5467 8.6493 8.6493 8.6822 8.6822 8.8850 8.8850 9.3407 9.3407 9.6209 9.6209 9.6518 9.6518 9.7305 9.7305 11.1952 11.1952 11.9922 11.9922 12.0130 12.0130 k = 0.0000 0.0000 0.2535 ( 6559 PWs) bands (ev): -18.4496 -18.4496 -18.2393 -18.2393 -14.7058 -14.7058 -14.5887 -14.5887 -9.9089 -9.9089 -5.0126 -5.0126 -4.8206 -4.8206 -4.1676 -4.1676 -3.6970 -3.6970 -2.9647 -2.9647 -2.7235 -2.7235 -2.5621 -2.5621 -2.4475 -2.4475 3.3426 3.3426 3.3782 3.3782 3.4340 3.4340 3.4912 3.4912 3.9371 3.9371 3.9827 3.9827 4.1175 4.1175 4.3606 4.3606 4.4473 4.4473 4.9477 4.9477 5.7237 5.7237 5.8162 5.8162 6.4153 6.4153 6.6130 6.6130 7.1168 7.1168 7.3537 7.3537 8.2959 8.2959 8.5768 8.5768 8.6529 8.6529 8.6868 8.6868 8.8961 8.8961 9.3392 9.3392 9.6193 9.6193 9.6411 9.6411 9.7179 9.7179 11.2645 11.2645 12.0319 12.0319 12.0753 12.0753 k = 0.0000 0.0000 0.2852 ( 6559 PWs) bands (ev): -18.4459 -18.4459 -18.2384 -18.2384 -14.7072 -14.7072 -14.5921 -14.5921 -9.9043 -9.9043 -5.0251 -5.0251 -4.8139 -4.8139 -4.1763 -4.1763 -3.6923 -3.6923 -2.9593 -2.9593 -2.7235 -2.7235 -2.5746 -2.5746 -2.4476 -2.4476 3.3448 3.3448 3.3876 3.3876 3.4418 3.4418 3.5012 3.5012 3.9170 3.9170 3.9557 3.9557 4.1165 4.1165 4.3610 4.3610 4.4612 4.4612 4.9207 4.9207 5.7243 5.7243 5.8294 5.8294 6.3448 6.3448 6.5691 6.5691 7.1189 7.1189 7.3848 7.3848 8.3091 8.3091 8.6048 8.6048 8.6571 8.6571 8.6924 8.6924 8.9108 8.9108 9.3380 9.3380 9.5887 9.5887 9.6605 9.6605 9.7053 9.7053 11.3397 11.3397 12.0766 12.0766 12.1427 12.1427 k = 0.0000 0.0000 0.3169 ( 6567 PWs) bands (ev): -18.4418 -18.4418 -18.2374 -18.2374 -14.7088 -14.7088 -14.5959 -14.5959 -9.8992 -9.8992 -5.0372 -5.0372 -4.8083 -4.8083 -4.1845 -4.1845 -3.6881 -3.6881 -2.9536 -2.9536 -2.7234 -2.7234 -2.5876 -2.5876 -2.4484 -2.4484 3.3476 3.3476 3.3980 3.3980 3.4508 3.4508 3.5112 3.5112 3.8960 3.8960 3.9258 3.9258 4.1141 4.1141 4.3614 4.3614 4.4765 4.4765 4.8932 4.8932 5.7244 5.7244 5.8428 5.8428 6.2722 6.2722 6.5231 6.5231 7.1198 7.1198 7.4157 7.4157 8.3234 8.3234 8.6288 8.6288 8.6620 8.6620 8.6991 8.6991 8.9301 8.9301 9.3376 9.3376 9.5567 9.5567 9.6810 9.6810 9.6944 9.6944 11.4203 11.4203 12.1264 12.1264 12.2137 12.2137 k = 0.0000 0.0000 0.3486 ( 6567 PWs) bands (ev): -18.4373 -18.4373 -18.2364 -18.2364 -14.7105 -14.7105 -14.6001 -14.6001 -9.8936 -9.8936 -5.0489 -5.0489 -4.8039 -4.8039 -4.1920 -4.1920 -3.6844 -3.6844 -2.9480 -2.9480 -2.7232 -2.7232 -2.6010 -2.6010 -2.4501 -2.4501 3.3508 3.3508 3.4094 3.4094 3.4609 3.4609 3.5214 3.5214 3.8739 3.8739 3.8933 3.8933 4.1101 4.1101 4.3619 4.3619 4.4932 4.4932 4.8656 4.8656 5.7243 5.7243 5.8560 5.8560 6.1984 6.1984 6.4756 6.4756 7.1191 7.1191 7.4463 7.4463 8.3388 8.3388 8.6476 8.6476 8.6676 8.6676 8.7063 8.7063 8.9549 8.9549 9.3381 9.3381 9.5244 9.5244 9.6788 9.6788 9.7088 9.7088 11.5056 11.5056 12.1810 12.1810 12.2865 12.2865 k = 0.0000 0.0000 0.3803 ( 6551 PWs) bands (ev): -18.4324 -18.4324 -18.2352 -18.2352 -14.7123 -14.7123 -14.6046 -14.6046 -9.8876 -9.8876 -5.0602 -5.0602 -4.8008 -4.8008 -4.1985 -4.1985 -3.6814 -3.6814 -2.9426 -2.9426 -2.7227 -2.7227 -2.6148 -2.6148 -2.4525 -2.4525 3.3543 3.3543 3.4216 3.4216 3.4719 3.4719 3.5317 3.5317 3.8503 3.8503 3.8588 3.8588 4.1046 4.1046 4.3624 4.3624 4.5108 4.5108 4.8384 4.8384 5.7239 5.7239 5.8689 5.8689 6.1241 6.1241 6.4268 6.4268 7.1163 7.1163 7.4767 7.4767 8.3553 8.3553 8.6614 8.6614 8.6744 8.6744 8.7128 8.7128 8.9853 8.9853 9.3401 9.3401 9.4922 9.4922 9.6681 9.6681 9.7344 9.7344 11.5954 11.5954 12.2403 12.2403 12.3584 12.3584 k = 0.0000 0.0000 0.4120 ( 6549 PWs) bands (ev): -18.4271 -18.4271 -18.2340 -18.2340 -14.7143 -14.7143 -14.6094 -14.6094 -9.8811 -9.8811 -5.0709 -5.0709 -4.7989 -4.7989 -4.2040 -4.2040 -3.6791 -3.6791 -2.9376 -2.9376 -2.7221 -2.7221 -2.6289 -2.6289 -2.4558 -2.4558 3.3580 3.3580 3.4347 3.4347 3.4838 3.4838 3.5423 3.5423 3.8188 3.8188 3.8288 3.8288 4.0974 4.0974 4.3631 4.3631 4.5292 4.5292 4.8120 4.8120 5.7233 5.7233 5.8810 5.8810 6.0502 6.0502 6.3771 6.3771 7.1110 7.1110 7.5069 7.5069 8.3728 8.3728 8.6708 8.6708 8.6827 8.6827 8.7173 8.7173 9.0203 9.0203 9.3440 9.3440 9.4604 9.4604 9.6583 9.6583 9.7618 9.7618 11.6893 11.6893 12.3041 12.3041 12.4255 12.4255 k = 0.0000 0.0000 0.4437 ( 6545 PWs) bands (ev): -18.4215 -18.4215 -18.2326 -18.2326 -14.7164 -14.7164 -14.6145 -14.6145 -9.8742 -9.8742 -5.0811 -5.0811 -4.7984 -4.7984 -4.2082 -4.2082 -3.6775 -3.6775 -2.9332 -2.9332 -2.7213 -2.7213 -2.6430 -2.6430 -2.4599 -2.4599 3.3614 3.3614 3.4485 3.4485 3.4966 3.4966 3.5533 3.5533 3.7799 3.7799 3.8034 3.8034 4.0884 4.0884 4.3639 4.3639 4.5481 4.5481 4.7867 4.7867 5.7225 5.7225 5.8919 5.8919 5.9776 5.9776 6.3269 6.3269 7.1030 7.1030 7.5368 7.5368 8.3913 8.3913 8.6771 8.6771 8.6918 8.6918 8.7200 8.7200 9.0584 9.0584 9.3505 9.3505 9.4293 9.4293 9.6500 9.6500 9.7906 9.7906 11.7870 11.7870 12.3722 12.3722 12.4820 12.4820 k = 0.0000 0.0000 0.4753 ( 6551 PWs) bands (ev): -18.4156 -18.4156 -18.2312 -18.2312 -14.7187 -14.7187 -14.6199 -14.6199 -9.8669 -9.8669 -5.0908 -5.0908 -4.7990 -4.7990 -4.2110 -4.2110 -3.6766 -3.6766 -2.9297 -2.9297 -2.7205 -2.7205 -2.6569 -2.6569 -2.4648 -2.4648 3.3643 3.3643 3.4630 3.4630 3.5101 3.5101 3.5650 3.5650 3.7387 3.7387 3.7775 3.7775 4.0775 4.0775 4.3648 4.3648 4.5673 4.5673 4.7627 4.7627 5.7213 5.7213 5.8941 5.8941 5.9147 5.9147 6.2764 6.2764 7.0919 7.0919 7.5665 7.5665 8.4108 8.4108 8.6807 8.6807 8.6998 8.6998 8.7233 8.7233 9.0972 9.0972 9.3595 9.3595 9.4000 9.4000 9.6436 9.6436 9.8203 9.8203 11.8882 11.8882 12.4438 12.4438 12.5208 12.5208 k = 0.0000 0.0000 0.5070 ( 6551 PWs) bands (ev): -18.4093 -18.4093 -18.2298 -18.2298 -14.7210 -14.7210 -14.6256 -14.6256 -9.8592 -9.8592 -5.0998 -5.0998 -4.8009 -4.8009 -4.2124 -4.2124 -3.6764 -3.6764 -2.9272 -2.9272 -2.7202 -2.7202 -2.6701 -2.6701 -2.4705 -2.4705 3.3665 3.3665 3.4779 3.4779 3.5244 3.5244 3.5775 3.5775 3.6961 3.6961 3.7506 3.7506 4.0645 4.0645 4.3658 4.3658 4.5866 4.5866 4.7403 4.7403 5.7195 5.7195 5.8348 5.8348 5.9150 5.9150 6.2259 6.2259 7.0776 7.0776 7.5960 7.5960 8.4312 8.4312 8.6801 8.6801 8.7055 8.7055 8.7310 8.7310 9.1346 9.1346 9.3598 9.3598 9.3853 9.3853 9.6392 9.6392 9.8506 9.8506 11.9927 11.9927 12.5113 12.5113 12.5434 12.5434 k = 0.0000 0.0000 0.5387 ( 6547 PWs) bands (ev): -18.4028 -18.4028 -18.2282 -18.2282 -14.7236 -14.7236 -14.6315 -14.6315 -9.8512 -9.8512 -5.1081 -5.1081 -4.8039 -4.8039 -4.2124 -4.2124 -3.6768 -3.6768 -2.9259 -2.9259 -2.7213 -2.7213 -2.6815 -2.6815 -2.4771 -2.4771 3.3675 3.3675 3.4929 3.4929 3.5395 3.5395 3.5909 3.5909 3.6529 3.6529 3.7227 3.7227 4.0494 4.0494 4.3669 4.3669 4.6056 4.6056 4.7198 4.7198 5.7152 5.7152 5.7718 5.7718 5.9230 5.9230 6.1756 6.1756 7.0599 7.0599 7.6251 7.6251 8.4525 8.4525 8.6739 8.6739 8.7104 8.7104 8.7434 8.7434 9.1681 9.1681 9.3349 9.3349 9.4031 9.4031 9.6370 9.6370 9.8814 9.8814 12.1002 12.1002 12.5185 12.5185 12.6073 12.6073 k = 0.0000 0.0000 0.5704 ( 6551 PWs) bands (ev): -18.3960 -18.3960 -18.2267 -18.2267 -14.7262 -14.7262 -14.6376 -14.6376 -9.8429 -9.8429 -5.1157 -5.1157 -4.8080 -4.8080 -4.2110 -4.2110 -3.6777 -3.6777 -2.9260 -2.9260 -2.7259 -2.7259 -2.6890 -2.6890 -2.4846 -2.4846 3.3671 3.3671 3.5068 3.5068 3.5553 3.5553 3.6011 3.6011 3.6146 3.6146 3.6937 3.6937 4.0320 4.0320 4.3680 4.3680 4.6240 4.6240 4.7014 4.7014 5.6917 5.6917 5.7310 5.7310 5.9303 5.9303 6.1258 6.1258 7.0387 7.0387 7.6538 7.6538 8.4746 8.4746 8.6630 8.6630 8.7160 8.7160 8.7590 8.7590 9.1962 9.1962 9.3070 9.3070 9.4321 9.4321 9.6371 9.6371 9.9121 9.9121 12.2106 12.2106 12.4948 12.4948 12.6900 12.6900 k = 0.0000 0.0000 0.6021 ( 6545 PWs) bands (ev): -18.3890 -18.3890 -18.2250 -18.2250 -14.7290 -14.7290 -14.6439 -14.6439 -9.8343 -9.8343 -5.1226 -5.1226 -4.8130 -4.8130 -4.2081 -4.2081 -3.6792 -3.6792 -2.9275 -2.9275 -2.7349 -2.7349 -2.6918 -2.6918 -2.4929 -2.4929 3.3651 3.3651 3.5140 3.5140 3.5687 3.5687 3.5750 3.5750 3.6236 3.6236 3.6637 3.6637 4.0122 4.0122 4.3691 4.3691 4.6405 4.6405 4.6864 4.6864 5.6390 5.6390 5.7231 5.7231 5.9364 5.9364 6.0767 6.0767 7.0142 7.0142 7.6821 7.6821 8.4977 8.4977 8.6485 8.6485 8.7224 8.7224 8.7769 8.7769 9.2183 9.2183 9.2794 9.2794 9.4687 9.4687 9.6395 9.6395 9.9426 9.9426 12.3236 12.3236 12.4617 12.4617 12.7771 12.7771 k = 0.0000 0.0000 0.6338 ( 6541 PWs) bands (ev): -18.3817 -18.3817 -18.2233 -18.2233 -14.7318 -14.7318 -14.6504 -14.6504 -9.8255 -9.8255 -5.1288 -5.1288 -4.8188 -4.8188 -4.2039 -4.2039 -3.6810 -3.6810 -2.9304 -2.9304 -2.7469 -2.7469 -2.6913 -2.6913 -2.5021 -2.5021 3.3614 3.3614 3.4936 3.4936 3.5621 3.5621 3.5900 3.5900 3.6315 3.6315 3.6420 3.6420 3.9902 3.9902 4.3703 4.3703 4.6498 4.6498 4.6798 4.6798 5.5852 5.5852 5.7204 5.7204 5.9407 5.9407 6.0290 6.0290 6.9865 6.9865 7.7097 7.7097 8.5215 8.5215 8.6314 8.6314 8.7293 8.7293 8.7966 8.7966 9.2353 9.2353 9.2526 9.2526 9.5112 9.5112 9.6442 9.6442 9.9724 9.9724 12.4251 12.4251 12.4395 12.4395 12.8676 12.8676 k = 0.0000 0.0000 0.6655 ( 6543 PWs) bands (ev): -18.3742 -18.3742 -18.2216 -18.2216 -14.7348 -14.7348 -14.6570 -14.6570 -9.8164 -9.8164 -5.1342 -5.1342 -4.8253 -4.8253 -4.1983 -4.1983 -3.6831 -3.6831 -2.9348 -2.9348 -2.7602 -2.7602 -2.6892 -2.6892 -2.5121 -2.5121 3.3561 3.3561 3.4521 3.4521 3.5738 3.5738 3.5970 3.5970 3.6111 3.6111 3.6601 3.6601 3.9659 3.9659 4.3713 4.3713 4.6450 4.6450 4.6884 4.6884 5.5352 5.5352 5.7186 5.7186 5.9409 5.9409 5.9850 5.9850 6.9557 6.9557 7.7367 7.7367 8.5460 8.5460 8.6124 8.6124 8.7366 8.7366 8.8181 8.8181 9.2265 9.2265 9.2486 9.2486 9.5576 9.5576 9.6516 9.6516 10.0014 10.0014 12.3900 12.3900 12.5568 12.5568 12.9608 12.9608 k = 0.0000 0.0000 0.6972 ( 6546 PWs) bands (ev): -18.3665 -18.3665 -18.2199 -18.2199 -14.7378 -14.7378 -14.6637 -14.6637 -9.8071 -9.8071 -5.1388 -5.1388 -4.8323 -4.8323 -4.1916 -4.1916 -3.6854 -3.6854 -2.9406 -2.9406 -2.7739 -2.7739 -2.6866 -2.6866 -2.5230 -2.5230 3.3490 3.3490 3.4060 3.4060 3.5638 3.5638 3.5907 3.5907 3.6293 3.6293 3.6800 3.6800 3.9396 3.9396 4.3723 4.3723 4.6350 4.6350 4.7029 4.7029 5.4899 5.4899 5.7169 5.7169 5.9214 5.9214 5.9604 5.9604 6.9221 6.9221 7.7628 7.7628 8.5704 8.5704 8.5927 8.5927 8.7443 8.7443 8.8411 8.8411 9.2015 9.2015 9.2591 9.2591 9.6050 9.6050 9.6624 9.6624 10.0293 10.0293 12.3571 12.3571 12.6766 12.6766 13.0565 13.0565 k = 0.0000 0.0000 0.7289 ( 6532 PWs) bands (ev): -18.3587 -18.3587 -18.2181 -18.2181 -14.7410 -14.7410 -14.6706 -14.6706 -9.7976 -9.7976 -5.1427 -5.1427 -4.8398 -4.8398 -4.1836 -4.1836 -3.6878 -3.6878 -2.9478 -2.9478 -2.7876 -2.7876 -2.6840 -2.6840 -2.5348 -2.5348 3.3392 3.3392 3.3601 3.3601 3.5282 3.5282 3.6083 3.6083 3.6497 3.6497 3.7011 3.7011 3.9116 3.9116 4.3732 4.3732 4.6251 4.6251 4.7180 4.7180 5.4495 5.4495 5.7153 5.7153 5.8804 5.8804 5.9572 5.9572 6.8860 6.8860 7.7879 7.7879 8.5680 8.5680 8.5991 8.5991 8.7522 8.7522 8.8654 8.8654 9.1774 9.1774 9.2677 9.2677 9.6464 9.6464 9.6826 9.6826 10.0559 10.0559 12.3283 12.3283 12.7982 12.7982 13.1543 13.1543 k = 0.0000 0.0000 0.7606 ( 6532 PWs) bands (ev): -18.3507 -18.3507 -18.2163 -18.2163 -14.7442 -14.7442 -14.6775 -14.6775 -9.7881 -9.7881 -5.1458 -5.1458 -4.8476 -4.8476 -4.1746 -4.1746 -3.6902 -3.6902 -2.9562 -2.9562 -2.8012 -2.8012 -2.6817 -2.6817 -2.5474 -2.5474 3.3073 3.3073 3.3347 3.3347 3.4907 3.4907 3.6267 3.6267 3.6710 3.6710 3.7231 3.7231 3.8823 3.8823 4.3740 4.3740 4.6161 4.6161 4.7325 4.7325 5.4140 5.4140 5.7136 5.7136 5.8367 5.8367 5.9567 5.9567 6.8478 6.8478 7.8120 7.8120 8.5455 8.5455 8.6253 8.6253 8.7605 8.7605 8.8908 8.8908 9.1542 9.1542 9.2751 9.2751 9.6697 9.6697 9.7229 9.7229 10.0811 10.0811 12.3043 12.3043 12.9215 12.9215 13.2536 13.2536 k = 0.0000 0.0000 0.7922 ( 6528 PWs) bands (ev): -18.3426 -18.3426 -18.2145 -18.2145 -14.7475 -14.7475 -14.6845 -14.6845 -9.7784 -9.7784 -5.1481 -5.1481 -4.8556 -4.8556 -4.1645 -4.1645 -3.6925 -3.6925 -2.9658 -2.9658 -2.8144 -2.8144 -2.6802 -2.6802 -2.5609 -2.5609 3.2602 3.2602 3.3237 3.3237 3.4513 3.4513 3.6454 3.6454 3.6927 3.6927 3.7459 3.7459 3.8525 3.8525 4.3748 4.3748 4.6080 4.6080 4.7463 4.7463 5.3833 5.3833 5.7117 5.7117 5.7933 5.7933 5.9558 5.9558 6.8078 6.8078 7.8348 7.8348 8.5217 8.5217 8.6525 8.6525 8.7690 8.7690 8.9171 8.9171 9.1322 9.1322 9.2815 9.2815 9.6852 9.6852 9.7725 9.7725 10.1050 10.1050 12.2858 12.2858 13.0462 13.0462 13.3402 13.3402 k = 0.0000 0.0000 0.8239 ( 6526 PWs) bands (ev): -18.3345 -18.3345 -18.2127 -18.2127 -14.7508 -14.7508 -14.6916 -14.6916 -9.7686 -9.7686 -5.1497 -5.1497 -4.8637 -4.8637 -4.1534 -4.1534 -3.6946 -3.6946 -2.9764 -2.9764 -2.8273 -2.8273 -2.6795 -2.6795 -2.5752 -2.5752 3.2125 3.2125 3.3131 3.3131 3.4100 3.4100 3.6643 3.6643 3.7140 3.7140 3.7691 3.7691 3.8233 3.8233 4.3753 4.3753 4.6009 4.6009 4.7591 4.7591 5.3571 5.3571 5.7097 5.7097 5.7509 5.7509 5.9540 5.9540 6.7663 6.7663 7.8563 7.8563 8.4972 8.4972 8.6802 8.6802 8.7778 8.7778 8.9438 8.9438 9.1114 9.1114 9.2873 9.2873 9.6995 9.6995 9.8238 9.8238 10.1274 10.1274 12.2729 12.2729 13.1720 13.1720 13.3534 13.3534 k = 0.0000 0.0000 0.8556 ( 6522 PWs) bands (ev): -18.3263 -18.3263 -18.2109 -18.2109 -14.7542 -14.7542 -14.6986 -14.6986 -9.7588 -9.7588 -5.1506 -5.1506 -4.8720 -4.8720 -4.1414 -4.1414 -3.6964 -3.6964 -2.9879 -2.9879 -2.8397 -2.8397 -2.6801 -2.6801 -2.5902 -2.5902 3.1651 3.1651 3.3023 3.3023 3.3670 3.3670 3.6832 3.6832 3.7328 3.7328 3.7866 3.7866 3.8035 3.8035 4.3758 4.3758 4.5947 4.5947 4.7709 4.7709 5.3351 5.3351 5.7059 5.7059 5.7114 5.7114 5.9513 5.9513 6.7238 6.7238 7.8764 7.8764 8.4723 8.4723 8.7082 8.7082 8.7871 8.7871 8.9704 8.9704 9.0924 9.0924 9.2925 9.2925 9.7138 9.7138 9.8750 9.8750 10.1487 10.1487 12.2655 12.2655 13.2977 13.2977 13.3721 13.3721 k = 0.0000 0.0000 0.8873 ( 6530 PWs) bands (ev): -18.3180 -18.3180 -18.2090 -18.2090 -14.7576 -14.7576 -14.7056 -14.7056 -9.7490 -9.7490 -5.1507 -5.1507 -4.8801 -4.8801 -4.1284 -4.1284 -3.6977 -3.6977 -3.0001 -3.0001 -2.8518 -2.8518 -2.6821 -2.6821 -2.6057 -2.6057 3.1182 3.1182 3.2913 3.2913 3.3226 3.3226 3.7020 3.7020 3.7368 3.7368 3.7813 3.7813 3.8222 3.8222 4.3762 4.3762 4.5892 4.5892 4.7819 4.7819 5.3167 5.3167 5.6694 5.6694 5.7058 5.7058 5.9475 5.9475 6.6806 6.6806 7.8949 7.8949 8.4472 8.4472 8.7360 8.7360 8.7970 8.7970 8.9952 8.9952 9.0766 9.0766 9.2973 9.2973 9.7282 9.7282 9.9255 9.9255 10.1689 10.1689 12.2637 12.2637 13.3897 13.3897 13.4310 13.4310 k = 0.0000 0.0000 0.9190 ( 6532 PWs) bands (ev): -18.3098 -18.3098 -18.2072 -18.2072 -14.7610 -14.7610 -14.7126 -14.7126 -9.7392 -9.7392 -5.1501 -5.1501 -4.8883 -4.8883 -4.1146 -4.1146 -3.6985 -3.6985 -3.0130 -3.0130 -2.8635 -2.8635 -2.6860 -2.6860 -2.6215 -2.6215 3.0721 3.0721 3.2724 3.2724 3.2849 3.2849 3.7148 3.7148 3.7224 3.7224 3.7946 3.7946 3.8478 3.8478 4.3764 4.3764 4.5843 4.5843 4.7920 4.7920 5.3016 5.3016 5.6308 5.6308 5.7032 5.7032 5.9426 5.9426 6.6369 6.6369 7.9119 7.9119 8.4220 8.4220 8.7628 8.7628 8.8085 8.8085 9.0129 9.0129 9.0690 9.0690 9.3018 9.3018 9.7424 9.7424 9.9751 9.9751 10.1885 10.1885 12.2670 12.2670 13.4222 13.4222 13.5554 13.5554 k = 0.0000 0.0000 0.9507 ( 6524 PWs) bands (ev): -18.3016 -18.3016 -18.2055 -18.2055 -14.7644 -14.7644 -14.7195 -14.7195 -9.7295 -9.7295 -5.1489 -5.1489 -4.8963 -4.8963 -4.1000 -4.1000 -3.6986 -3.6986 -3.0262 -3.0262 -2.8748 -2.8748 -2.6922 -2.6922 -2.6373 -2.6373 3.0268 3.0268 3.2268 3.2268 3.2730 3.2730 3.6891 3.6891 3.7397 3.7397 3.8145 3.8145 3.8746 3.8746 4.3765 4.3765 4.5800 4.5800 4.8014 4.8014 5.2890 5.2890 5.5937 5.5937 5.7005 5.7005 5.9367 5.9367 6.5933 6.5933 7.9273 7.9273 8.3969 8.3969 8.7864 8.7864 8.8235 8.8235 9.0139 9.0139 9.0793 9.0793 9.3060 9.3060 9.7563 9.7563 10.0234 10.0234 10.2076 10.2076 12.2753 12.2753 13.4590 13.4590 13.6790 13.6790 k = 0.0000 0.0000 0.9824 ( 6528 PWs) bands (ev): -18.2935 -18.2935 -18.2037 -18.2037 -14.7679 -14.7679 -14.7264 -14.7264 -9.7199 -9.7199 -5.1471 -5.1471 -4.9041 -4.9041 -4.0846 -4.0846 -3.6980 -3.6980 -3.0398 -3.0398 -2.8857 -2.8857 -2.7014 -2.7014 -2.6524 -2.6524 2.9825 2.9825 3.1783 3.1783 3.2639 3.2639 3.6618 3.6618 3.7580 3.7580 3.8351 3.8351 3.9021 3.9021 4.3765 4.3765 4.5761 4.5761 4.8101 4.8101 5.2786 5.2786 5.5579 5.5579 5.6976 5.6976 5.9299 5.9299 6.5499 6.5499 7.9411 7.9411 8.3721 8.3721 8.8042 8.8042 8.8444 8.8444 9.0034 9.0034 9.1018 9.1018 9.3101 9.3101 9.7698 9.7698 10.0703 10.0703 10.2265 10.2265 12.2881 12.2881 13.5021 13.5021 13.7833 13.7834 k = 0.0000 0.0000 1.0141 ( 6528 PWs) bands (ev): -18.2854 -18.2854 -18.2020 -18.2020 -14.7713 -14.7713 -14.7331 -14.7331 -9.7104 -9.7104 -5.1447 -5.1447 -4.9118 -4.9118 -4.0684 -4.0684 -3.6966 -3.6966 -3.0536 -3.0536 -2.8963 -2.8963 -2.7141 -2.7141 -2.6665 -2.6665 2.9394 2.9394 3.1289 3.1289 3.2559 3.2559 3.6351 3.6351 3.7759 3.7759 3.8553 3.8553 3.9303 3.9303 4.3765 4.3765 4.5726 4.5726 4.8184 4.8184 5.2698 5.2698 5.5237 5.5237 5.6944 5.6944 5.9220 5.9220 6.5072 6.5072 7.9533 7.9533 8.3476 8.3476 8.8171 8.8171 8.8701 8.8701 8.9901 8.9901 9.1280 9.1280 9.3140 9.3140 9.7824 9.7824 10.1155 10.1155 10.2457 10.2457 12.3050 12.3050 13.5511 13.5511 13.8236 13.8236 k = 0.0000 0.0000 1.0458 ( 6542 PWs) bands (ev): -18.2775 -18.2775 -18.2003 -18.2003 -14.7747 -14.7747 -14.7397 -14.7397 -9.7011 -9.7011 -5.1418 -5.1418 -4.9193 -4.9193 -4.0515 -4.0515 -3.6942 -3.6942 -3.0675 -3.0675 -2.9065 -2.9065 -2.7302 -2.7302 -2.6795 -2.6795 2.8975 2.8975 3.0792 3.0792 3.2490 3.2490 3.6096 3.6096 3.7934 3.7934 3.8745 3.8745 3.9589 3.9589 4.3763 4.3763 4.5695 4.5695 4.8263 4.8263 5.2620 5.2620 5.4909 5.4909 5.6910 5.6910 5.9133 5.9133 6.4653 6.4653 7.9639 7.9639 8.3236 8.3236 8.8274 8.8274 8.8975 8.8975 8.9771 8.9771 9.1549 9.1549 9.3178 9.3178 9.7943 9.7943 10.1589 10.1589 10.2654 10.2654 12.3257 12.3257 13.6049 13.6049 13.8278 13.8278 k = 0.0000 0.0000 1.0774 ( 6546 PWs) bands (ev): -18.2696 -18.2696 -18.1986 -18.1986 -14.7780 -14.7780 -14.7461 -14.7461 -9.6920 -9.6920 -5.1384 -5.1384 -4.9266 -4.9266 -4.0340 -4.0340 -3.6907 -3.6907 -3.0813 -3.0813 -2.9164 -2.9164 -2.7492 -2.7492 -2.6919 -2.6919 2.8569 2.8569 3.0295 3.0295 3.2435 3.2435 3.5853 3.5853 3.8105 3.8105 3.8926 3.8926 3.9879 3.9879 4.3761 4.3761 4.5668 4.5668 4.8340 4.8340 5.2550 5.2550 5.4597 5.4597 5.6873 5.6873 5.9036 5.9036 6.4245 6.4245 7.9731 7.9731 8.3002 8.3002 8.8367 8.8367 8.9230 8.9230 8.9674 8.9674 9.1815 9.1815 9.3219 9.3219 9.8050 9.8050 10.2003 10.2003 10.2860 10.2860 12.3499 12.3499 13.6609 13.6609 13.8258 13.8258 k = 0.0000 0.0000 1.1091 ( 6554 PWs) bands (ev): -18.2620 -18.2620 -18.1970 -18.1970 -14.7813 -14.7813 -14.7524 -14.7524 -9.6831 -9.6831 -5.1345 -5.1345 -4.9336 -4.9336 -4.0158 -4.0158 -3.6861 -3.6861 -3.0950 -3.0950 -2.9260 -2.9260 -2.7704 -2.7704 -2.7046 -2.7046 2.8177 2.8177 2.9803 2.9803 3.2392 3.2392 3.5623 3.5623 3.8271 3.8271 3.9092 3.9092 4.0170 4.0170 4.3759 4.3759 4.5643 4.5643 4.8416 4.8416 5.2482 5.2482 5.4300 5.4300 5.6833 5.6833 5.8930 5.8930 6.3852 6.3852 7.9809 7.9809 8.2775 8.2775 8.8452 8.8452 8.9347 8.9347 8.9723 8.9723 9.2071 9.2071 9.3263 9.3263 9.8147 9.8147 10.2393 10.2393 10.3078 10.3078 12.3772 12.3772 13.7125 13.7125 13.8238 13.8238 k = 0.0000 0.0000 1.1408 ( 6560 PWs) bands (ev): -18.2546 -18.2546 -18.1954 -18.1954 -14.7846 -14.7846 -14.7585 -14.7585 -9.6745 -9.6745 -5.1303 -5.1303 -4.9405 -4.9405 -3.9971 -3.9971 -3.6803 -3.6803 -3.1085 -3.1085 -2.9353 -2.9353 -2.7932 -2.7932 -2.7178 -2.7178 2.7801 2.7801 2.9320 2.9320 3.2363 3.2363 3.5406 3.5406 3.8430 3.8430 3.9243 3.9243 4.0461 4.0461 4.3757 4.3757 4.5623 4.5623 4.8490 4.8490 5.2415 5.2415 5.4020 5.4020 5.6791 5.6791 5.8817 5.8817 6.3475 6.3475 7.9874 7.9874 8.2557 8.2557 8.8532 8.8532 8.9286 8.9286 8.9958 8.9958 9.2313 9.2313 9.3314 9.3314 9.8232 9.8232 10.2758 10.2758 10.3311 10.3311 12.4074 12.4074 13.7444 13.7444 13.8227 13.8227 k = 0.0000 0.0000 1.1725 ( 6544 PWs) bands (ev): -18.2474 -18.2474 -18.1939 -18.1939 -14.7877 -14.7877 -14.7643 -14.7643 -9.6661 -9.6661 -5.1258 -5.1258 -4.9471 -4.9471 -3.9779 -3.9779 -3.6731 -3.6731 -3.1217 -3.1217 -2.9442 -2.9442 -2.8171 -2.8171 -2.7320 -2.7320 2.7441 2.7441 2.8848 2.8848 3.2348 3.2348 3.5203 3.5203 3.8583 3.8583 3.9378 3.9378 4.0751 4.0751 4.3755 4.3755 4.5606 4.5606 4.8565 4.8565 5.2345 5.2345 5.3755 5.3755 5.6745 5.6745 5.8695 5.8695 6.3117 6.3117 7.9929 7.9929 8.2347 8.2347 8.8607 8.8607 8.9189 8.9189 9.0237 9.0237 9.2534 9.2534 9.3377 9.3377 9.8306 9.8306 10.3093 10.3093 10.3564 10.3564 12.4400 12.4400 13.7426 13.7426 13.8217 13.8217 k = 0.0000 0.0000 1.2042 ( 6540 PWs) bands (ev): -18.2404 -18.2404 -18.1925 -18.1925 -14.7908 -14.7908 -14.7700 -14.7700 -9.6581 -9.6581 -5.1209 -5.1209 -4.9534 -4.9534 -3.9584 -3.9584 -3.6645 -3.6645 -3.1347 -3.1347 -2.9528 -2.9528 -2.8421 -2.8421 -2.7472 -2.7472 2.7097 2.7097 2.8391 2.8391 3.2347 3.2347 3.5013 3.5013 3.8729 3.8729 3.9494 3.9494 4.1038 4.1038 4.3753 4.3753 4.5593 4.5593 4.8641 4.8641 5.2272 5.2272 5.3506 5.3506 5.6698 5.6698 5.8567 5.8567 6.2780 6.2780 7.9972 7.9972 8.2148 8.2148 8.8673 8.8673 8.9093 8.9093 9.0521 9.0521 9.2723 9.2723 9.3461 9.3461 9.8367 9.8367 10.3399 10.3399 10.3833 10.3833 12.4749 12.4749 13.7149 13.7149 13.8221 13.8221 k = 0.0000 0.0000 1.2359 ( 6520 PWs) bands (ev): -18.2337 -18.2337 -18.1911 -18.1911 -14.7937 -14.7937 -14.7753 -14.7753 -9.6503 -9.6503 -5.1159 -5.1159 -4.9596 -4.9596 -3.9385 -3.9385 -3.6544 -3.6544 -3.1472 -3.1472 -2.9611 -2.9611 -2.8678 -2.8678 -2.7633 -2.7633 2.6771 2.6771 2.7952 2.7952 3.2360 3.2360 3.4835 3.4835 3.8867 3.8867 3.9593 3.9593 4.1319 4.1319 4.3752 4.3752 4.5584 4.5584 4.8719 4.8719 5.2192 5.2192 5.3273 5.3273 5.6648 5.6648 5.8434 5.8434 6.2465 6.2465 8.0006 8.0006 8.1960 8.1960 8.8725 8.8725 8.9013 8.9013 9.0801 9.0801 9.2872 9.2872 9.3572 9.3572 9.8417 9.8417 10.3683 10.3683 10.4112 10.4112 12.5116 12.5116 13.6746 13.6746 13.8243 13.8243 k = 0.0000 0.0000 1.2676 ( 6524 PWs) bands (ev): -18.2273 -18.2273 -18.1898 -18.1898 -14.7965 -14.7965 -14.7805 -14.7805 -9.6430 -9.6430 -5.1106 -5.1106 -4.9656 -4.9656 -3.9185 -3.9185 -3.6428 -3.6428 -3.1594 -3.1594 -2.9693 -2.9693 -2.8941 -2.8941 -2.7804 -2.7804 2.6463 2.6463 2.7533 2.7533 3.2386 3.2386 3.4671 3.4671 3.8997 3.8997 3.9673 3.9673 4.1594 4.1594 4.3752 4.3752 4.5579 4.5579 4.8798 4.8798 5.2105 5.2105 5.3056 5.3056 5.6595 5.6595 5.8295 5.8295 6.2173 6.2173 8.0032 8.0032 8.1784 8.1784 8.8743 8.8743 8.8968 8.8968 9.1073 9.1073 9.2981 9.2981 9.3711 9.3711 9.8457 9.8457 10.3950 10.3950 10.4393 10.4393 12.5498 12.5498 13.6285 13.6285 13.8278 13.8278 k = 0.0000 0.0000 1.2993 ( 6528 PWs) bands (ev): -18.2212 -18.2212 -18.1885 -18.1885 -14.7992 -14.7992 -14.7853 -14.7853 -9.6361 -9.6361 -5.1053 -5.1053 -4.9713 -4.9713 -3.8985 -3.8985 -3.6296 -3.6296 -3.1711 -3.1711 -2.9774 -2.9774 -2.9204 -2.9204 -2.7983 -2.7983 2.6174 2.6174 2.7136 2.7136 3.2423 3.2423 3.4518 3.4518 3.9117 3.9117 3.9735 3.9735 4.1861 4.1861 4.3752 4.3753 4.5578 4.5578 4.8880 4.8880 5.2012 5.2012 5.2855 5.2855 5.6541 5.6541 5.8153 5.8153 6.1905 6.1905 8.0050 8.0050 8.1620 8.1620 8.8711 8.8711 8.8977 8.8977 9.1336 9.1336 9.3056 9.3056 9.3869 9.3869 9.8486 9.8486 10.4208 10.4208 10.4666 10.4666 12.5890 12.5890 13.5801 13.5801 13.8322 13.8322 k = 0.0000 0.0000 1.3310 ( 6530 PWs) bands (ev): -18.2155 -18.2155 -18.1874 -18.1874 -14.8018 -14.8018 -14.7898 -14.7898 -9.6295 -9.6295 -5.0998 -5.0998 -4.9769 -4.9769 -3.8785 -3.8785 -3.6148 -3.6148 -3.1823 -3.1823 -2.9861 -2.9861 -2.9461 -2.9461 -2.8169 -2.8169 2.5903 2.5903 2.6763 2.6763 3.2472 3.2472 3.4377 3.4377 3.9229 3.9229 3.9779 3.9779 4.2117 4.2117 4.3754 4.3754 4.5582 4.5582 4.8964 4.8964 5.1912 5.1912 5.2669 5.2669 5.6486 5.6486 5.8010 5.8010 6.1662 6.1662 8.0060 8.0060 8.1471 8.1471 8.8652 8.8652 8.9016 8.9016 9.1586 9.1586 9.3109 9.3109 9.4035 9.4035 9.8508 9.8508 10.4459 10.4459 10.4926 10.4926 12.6286 12.6286 13.5318 13.5318 13.8373 13.8373 k = 0.0000 0.0000 1.3627 ( 6520 PWs) bands (ev): -18.2102 -18.2102 -18.1863 -18.1863 -14.8042 -14.8042 -14.7941 -14.7941 -9.6234 -9.6234 -5.0943 -5.0943 -4.9823 -4.9823 -3.8588 -3.8588 -3.5985 -3.5985 -3.1931 -3.1931 -2.9978 -2.9978 -2.9687 -2.9687 -2.8360 -2.8360 2.5653 2.5653 2.6415 2.6415 3.2530 3.2530 3.4249 3.4249 3.9332 3.9332 3.9806 3.9806 4.2361 4.2361 4.3757 4.3757 4.5589 4.5589 4.9051 4.9051 5.1807 5.1807 5.2498 5.2498 5.6429 5.6429 5.7868 5.7868 6.1443 6.1443 8.0064 8.0064 8.1336 8.1336 8.8588 8.8588 8.9064 8.9064 9.1823 9.1823 9.3148 9.3148 9.4201 9.4201 9.8521 9.8521 10.4703 10.4703 10.5171 10.5171 12.6679 12.6679 13.4852 13.4852 13.8428 13.8428 k = 0.0000 0.0000 1.3943 ( 6524 PWs) bands (ev): -18.2052 -18.2052 -18.1853 -18.1853 -14.8064 -14.8064 -14.7980 -14.7980 -9.6178 -9.6178 -5.0888 -5.0888 -4.9876 -4.9876 -3.8395 -3.8395 -3.5805 -3.5805 -3.2033 -3.2033 -3.0168 -3.0168 -2.9837 -2.9837 -2.8553 -2.8553 2.5423 2.5423 2.6094 2.6094 3.2596 3.2596 3.4132 3.4132 3.9424 3.9424 3.9819 3.9819 4.2592 4.2592 4.3761 4.3761 4.5598 4.5598 4.9140 4.9140 5.1697 5.1697 5.2341 5.2341 5.6373 5.6373 5.7729 5.7729 6.1248 6.1248 8.0062 8.0062 8.1215 8.1215 8.8526 8.8526 8.9112 8.9112 9.2043 9.2043 9.3178 9.3178 9.4360 9.4360 9.8529 9.8529 10.4940 10.4940 10.5399 10.5399 12.7060 12.7060 13.4419 13.4419 13.8484 13.8484 k = 0.0000 0.0000 1.4260 ( 6544 PWs) bands (ev): -18.2007 -18.2007 -18.1843 -18.1843 -14.8085 -14.8085 -14.8016 -14.8016 -9.6127 -9.6127 -5.0834 -5.0834 -4.9927 -4.9927 -3.8208 -3.8208 -3.5612 -3.5612 -3.2130 -3.2130 -3.0418 -3.0418 -2.9924 -2.9924 -2.8746 -2.8746 2.5213 2.5213 2.5802 2.5802 3.2667 3.2667 3.4026 3.4026 3.9507 3.9507 3.9820 3.9820 4.2807 4.2807 4.3765 4.3765 4.5610 4.5610 4.9232 4.9232 5.1584 5.1584 5.2197 5.2197 5.6317 5.6317 5.7596 5.7596 6.1075 6.1075 8.0054 8.0054 8.1111 8.1111 8.8468 8.8468 8.9157 8.9157 9.2246 9.2246 9.3203 9.3203 9.4508 9.4508 9.8531 9.8531 10.5165 10.5165 10.5609 10.5609 12.7417 12.7417 13.4034 13.4034 13.8540 13.8540 k = 0.0000 0.0000 1.4577 ( 6544 PWs) bands (ev): -18.1966 -18.1966 -18.1835 -18.1835 -14.8103 -14.8103 -14.8048 -14.8048 -9.6080 -9.6080 -5.0780 -5.0780 -4.9977 -4.9977 -3.8030 -3.8030 -3.5405 -3.5405 -3.2221 -3.2221 -3.0688 -3.0688 -2.9983 -2.9983 -2.8935 -2.8935 2.5024 2.5024 2.5538 2.5538 3.2740 3.2740 3.3931 3.3931 3.9578 3.9578 3.9811 3.9811 4.3005 4.3005 4.3771 4.3771 4.5624 4.5624 4.9326 4.9326 5.1470 5.1470 5.2066 5.2066 5.6262 5.6262 5.7471 5.7471 6.0925 6.0925 8.0041 8.0041 8.1022 8.1022 8.8416 8.8416 8.9199 8.9199 9.2428 9.2428 9.3226 9.3226 9.4643 9.4643 9.8530 9.8530 10.5378 10.5378 10.5800 10.5800 12.7740 12.7740 13.3712 13.3712 13.8595 13.8595 k = 0.0000 0.0000 1.4894 ( 6540 PWs) bands (ev): -18.1929 -18.1929 -18.1828 -18.1828 -14.8120 -14.8120 -14.8077 -14.8077 -9.6039 -9.6039 -5.0727 -5.0727 -5.0025 -5.0025 -3.7862 -3.7862 -3.5187 -3.5187 -3.2306 -3.2306 -3.0963 -3.0963 -3.0029 -3.0029 -2.9116 -2.9116 2.4857 2.4857 2.5304 2.5304 3.2815 3.2815 3.3848 3.3848 3.9636 3.9636 3.9798 3.9798 4.3184 4.3184 4.3777 4.3777 4.5638 4.5638 4.9422 4.9422 5.1357 5.1357 5.1948 5.1948 5.6210 5.6210 5.7355 5.7355 6.0795 6.0795 8.0023 8.0023 8.0949 8.0949 8.8370 8.8370 8.9238 8.9238 9.2590 9.2590 9.3247 9.3247 9.4765 9.4765 9.8526 9.8526 10.5574 10.5574 10.5972 10.5972 12.8013 12.8013 13.3465 13.3465 13.8646 13.8646 k = 0.0000 0.0000 1.5211 ( 6550 PWs) bands (ev): -18.1897 -18.1897 -18.1821 -18.1821 -14.8134 -14.8134 -14.8102 -14.8102 -9.6002 -9.6002 -5.0674 -5.0674 -5.0073 -5.0073 -3.7706 -3.7706 -3.4960 -3.4960 -3.2384 -3.2384 -3.1238 -3.1238 -3.0066 -3.0066 -2.9287 -2.9287 2.4711 2.4711 2.5101 2.5101 3.2887 3.2887 3.3776 3.3776 3.9674 3.9674 3.9789 3.9789 4.3343 4.3343 4.3783 4.3783 4.5653 4.5653 4.9519 4.9519 5.1246 5.1246 5.1843 5.1843 5.6161 5.6161 5.7252 5.7252 6.0685 6.0685 8.0003 8.0003 8.0890 8.0890 8.8331 8.8331 8.9271 8.9271 9.2728 9.2728 9.3268 9.3268 9.4872 9.4872 9.8521 9.8521 10.5750 10.5750 10.6124 10.6124 12.8228 12.8228 13.3299 13.3299 13.8693 13.8693 k = 0.0000 0.0000 1.5528 ( 6546 PWs) bands (ev): -18.1870 -18.1870 -18.1816 -18.1816 -14.8147 -14.8147 -14.8123 -14.8123 -9.5971 -9.5971 -5.0624 -5.0624 -5.0119 -5.0119 -3.7567 -3.7567 -3.4728 -3.4728 -3.2454 -3.2454 -3.1509 -3.1509 -3.0093 -3.0093 -2.9443 -2.9443 2.4587 2.4587 2.4928 2.4928 3.2955 3.2955 3.3714 3.3714 3.9684 3.9684 3.9798 3.9798 4.3481 4.3481 4.3789 4.3789 4.5666 4.5666 4.9615 4.9615 5.1138 5.1138 5.1752 5.1752 5.6117 5.6117 5.7163 5.7163 6.0594 6.0594 7.9982 7.9982 8.0844 8.0844 8.8297 8.8297 8.9300 8.9300 9.2841 9.2841 9.3292 9.3292 9.4963 9.4963 9.8515 9.8515 10.5903 10.5903 10.6256 10.6256 12.8381 12.8381 13.3214 13.3214 13.8734 13.8734 k = 0.0000 0.0000 1.5845 ( 6554 PWs) bands (ev): -18.1847 -18.1847 -18.1811 -18.1811 -14.8157 -14.8157 -14.8141 -14.8141 -9.5946 -9.5946 -5.0574 -5.0574 -5.0164 -5.0164 -3.7447 -3.7447 -3.4497 -3.4497 -3.2513 -3.2513 -3.1770 -3.1770 -3.0112 -3.0112 -2.9581 -2.9581 2.4484 2.4484 2.4787 2.4787 3.3015 3.3015 3.3664 3.3664 3.9671 3.9671 3.9821 3.9821 4.3595 4.3595 4.3795 4.3795 4.5678 4.5678 4.9708 4.9708 5.1036 5.1036 5.1675 5.1675 5.6079 5.6079 5.7088 5.7088 6.0521 6.0521 7.9961 7.9961 8.0809 8.0809 8.8270 8.8270 8.9324 8.9324 9.2928 9.2928 9.3317 9.3317 9.5038 9.5038 9.8509 9.8509 10.6030 10.6030 10.6368 10.6368 12.8476 12.8476 13.3197 13.3197 13.8769 13.8769 k = 0.0000 0.0000 1.6162 ( 6542 PWs) bands (ev): -18.1830 -18.1830 -18.1808 -18.1808 -14.8165 -14.8165 -14.8155 -14.8155 -9.5926 -9.5926 -5.0527 -5.0527 -5.0208 -5.0208 -3.7349 -3.7349 -3.4275 -3.4275 -3.2561 -3.2561 -3.2016 -3.2016 -3.0123 -3.0123 -2.9696 -2.9696 2.4404 2.4404 2.4677 2.4677 3.3066 3.3066 3.3624 3.3624 3.9652 3.9652 3.9844 3.9844 4.3685 4.3685 4.3799 4.3799 4.5688 4.5688 4.9793 4.9793 5.0943 5.0943 5.1615 5.1615 5.6047 5.6047 5.7030 5.7030 6.0465 6.0465 7.9944 7.9944 8.0785 8.0785 8.8249 8.8249 8.9343 8.9343 9.2990 9.2990 9.3343 9.3343 9.5097 9.5097 9.8504 9.8504 10.6130 10.6130 10.6457 10.6457 12.8525 12.8525 13.3225 13.3225 13.8797 13.8797 k = 0.0000 0.0000 1.6479 ( 6542 PWs) bands (ev): -18.1817 -18.1817 -18.1805 -18.1805 -14.8170 -14.8170 -14.8165 -14.8165 -9.5912 -9.5912 -5.0484 -5.0484 -5.0249 -5.0249 -3.7276 -3.7276 -3.4078 -3.4078 -3.2595 -3.2595 -3.2231 -3.2231 -3.0127 -3.0127 -2.9784 -2.9784 2.4347 2.4347 2.4598 2.4598 3.3104 3.3104 3.3595 3.3595 3.9635 3.9635 3.9862 3.9862 4.3750 4.3750 4.3803 4.3803 4.5695 4.5695 4.9865 4.9865 5.0867 5.0867 5.1571 5.1571 5.6024 5.6024 5.6987 5.6987 6.0425 6.0425 7.9929 7.9929 8.0768 8.0768 8.8235 8.8235 8.9357 8.9357 9.3030 9.3030 9.3366 9.3366 9.5139 9.5139 9.8500 9.8500 10.6201 10.6201 10.6523 10.6523 12.8545 12.8545 13.3271 13.3271 13.8817 13.8817 k = 0.0000 0.0000 1.6795 ( 6532 PWs) bands (ev): -18.1809 -18.1809 -18.1804 -18.1804 -14.8173 -14.8173 -14.8171 -14.8171 -9.5903 -9.5903 -5.0448 -5.0448 -5.0283 -5.0283 -3.7231 -3.7231 -3.3933 -3.3933 -3.2611 -3.2611 -3.2392 -3.2392 -3.0126 -3.0126 -2.9842 -2.9842 2.4312 2.4312 2.4551 2.4551 3.3128 3.3128 3.3578 3.3578 3.9624 3.9624 3.9873 3.9873 4.3790 4.3790 4.3805 4.3805 4.5700 4.5700 4.9915 4.9915 5.0814 5.0814 5.1545 5.1545 5.6010 5.6010 5.6962 5.6962 6.0401 6.0401 7.9921 7.9921 8.0758 8.0758 8.8226 8.8226 8.9365 8.9365 9.3052 9.3052 9.3383 9.3383 9.5165 9.5165 9.8497 9.8497 10.6244 10.6244 10.6563 10.6563 12.8551 12.8551 13.3310 13.3310 13.8830 13.8830 k = 0.0000 0.0000 1.7112 ( 6532 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7216 -3.7216 -3.3878 -3.3878 -3.2612 -3.2612 -3.2456 -3.2456 -3.0125 -3.0125 -2.9862 -2.9862 2.4301 2.4301 2.4535 2.4535 3.3136 3.3136 3.3572 3.3572 3.9620 3.9620 3.9877 3.9877 4.3804 4.3804 4.3805 4.3805 4.5701 4.5701 4.9933 4.9933 5.0795 5.0795 5.1536 5.1536 5.6005 5.6005 5.6953 5.6953 6.0394 6.0394 7.9918 7.9918 8.0755 8.0755 8.8223 8.8223 8.9368 8.9368 9.3059 9.3059 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6577 10.6577 12.8551 12.8551 13.3325 13.3325 13.8834 13.8834 k = 0.0000 0.0000 1.7112 ( 6532 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7216 -3.7216 -3.3878 -3.3878 -3.2612 -3.2612 -3.2456 -3.2456 -3.0125 -3.0125 -2.9862 -2.9862 2.4301 2.4301 2.4535 2.4535 3.3136 3.3136 3.3572 3.3572 3.9620 3.9620 3.9877 3.9877 4.3804 4.3804 4.3805 4.3805 4.5701 4.5701 4.9933 4.9933 5.0795 5.0795 5.1536 5.1536 5.6005 5.6005 5.6953 5.6953 6.0394 6.0394 7.9918 7.9918 8.0755 8.0755 8.8223 8.8223 8.9368 8.9368 9.3059 9.3059 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6577 10.6577 12.8551 12.8551 13.3325 13.3325 13.8834 13.8834 k =-0.0078 0.0255 1.7112 ( 6536 PWs) bands (ev): -18.1807 -18.1807 -18.1805 -18.1805 -14.8174 -14.8174 -14.8172 -14.8172 -9.5903 -9.5903 -5.0445 -5.0445 -5.0286 -5.0286 -3.7229 -3.7229 -3.3897 -3.3897 -3.2605 -3.2605 -3.2440 -3.2440 -3.0136 -3.0136 -2.9832 -2.9832 2.4310 2.4310 2.4543 2.4543 3.3139 3.3139 3.3573 3.3573 3.9617 3.9617 3.9879 3.9879 4.3794 4.3794 4.3804 4.3804 4.5698 4.5698 4.9930 4.9930 5.0802 5.0802 5.1537 5.1537 5.6014 5.6014 5.6954 5.6954 6.0400 6.0400 7.9920 7.9920 8.0757 8.0757 8.8225 8.8225 8.9366 8.9366 9.3055 9.3055 9.3383 9.3383 9.5167 9.5167 9.8499 9.8499 10.6249 10.6249 10.6568 10.6568 12.8565 12.8565 13.3305 13.3305 13.8809 13.8809 k =-0.0156 0.0509 1.7112 ( 6544 PWs) bands (ev): -18.1811 -18.1811 -18.1808 -18.1808 -14.8172 -14.8172 -14.8167 -14.8167 -9.5909 -9.5909 -5.0474 -5.0474 -5.0258 -5.0258 -3.7265 -3.7265 -3.3955 -3.3955 -3.2579 -3.2579 -3.2399 -3.2399 -3.0157 -3.0157 -2.9753 -2.9753 2.4339 2.4339 2.4566 2.4566 3.3149 3.3149 3.3575 3.3575 3.9607 3.9607 3.9883 3.9883 4.3767 4.3767 4.3803 4.3803 4.5689 4.5689 4.9920 4.9920 5.0824 5.0824 5.1539 5.1539 5.6040 5.6040 5.6956 5.6956 6.0418 6.0418 7.9928 7.9928 8.0765 8.0765 8.8231 8.8231 8.9360 8.9360 9.3042 9.3042 9.3369 9.3369 9.5149 9.5149 9.8507 9.8507 10.6222 10.6222 10.6542 10.6542 12.8604 12.8604 13.3245 13.3245 13.8735 13.8735 k =-0.0233 0.0764 1.7112 ( 6548 PWs) bands (ev): -18.1820 -18.1820 -18.1810 -18.1810 -14.8168 -14.8168 -14.8160 -14.8160 -9.5919 -9.5919 -5.0511 -5.0511 -5.0224 -5.0224 -3.7324 -3.7324 -3.4046 -3.4046 -3.2529 -3.2529 -3.2343 -3.2343 -3.0176 -3.0176 -2.9640 -2.9640 2.4388 2.4388 2.4605 2.4605 3.3166 3.3166 3.3579 3.3579 3.9592 3.9592 3.9890 3.9890 4.3721 4.3721 4.3799 4.3799 4.5673 4.5673 4.9905 4.9905 5.0860 5.0860 5.1544 5.1544 5.6083 5.6083 5.6961 5.6961 6.0448 6.0448 7.9941 7.9941 8.0777 8.0777 8.8242 8.8242 8.9350 8.9350 9.3018 9.3018 9.3347 9.3347 9.5119 9.5119 9.8520 9.8520 10.6177 10.6177 10.6499 10.6499 12.8669 12.8669 13.3146 13.3146 13.8613 13.8613 k =-0.0233 0.0764 1.7112 ( 6548 PWs) bands (ev): -18.1820 -18.1820 -18.1810 -18.1810 -14.8168 -14.8168 -14.8160 -14.8160 -9.5919 -9.5919 -5.0511 -5.0511 -5.0224 -5.0224 -3.7324 -3.7324 -3.4046 -3.4046 -3.2529 -3.2529 -3.2343 -3.2343 -3.0176 -3.0176 -2.9640 -2.9640 2.4388 2.4388 2.4605 2.4605 3.3166 3.3166 3.3579 3.3579 3.9592 3.9592 3.9890 3.9890 4.3721 4.3721 4.3799 4.3799 4.5673 4.5673 4.9905 4.9905 5.0860 5.0860 5.1544 5.1544 5.6083 5.6083 5.6961 5.6961 6.0448 6.0448 7.9941 7.9941 8.0777 8.0777 8.8242 8.8242 8.9350 8.9350 9.3018 9.3018 9.3347 9.3347 9.5119 9.5119 9.8520 9.8520 10.6177 10.6177 10.6499 10.6499 12.8669 12.8669 13.3146 13.3146 13.8613 13.8613 k =-0.0298 0.0975 1.6892 ( 6548 PWs) bands (ev): -18.1830 -18.1830 -18.1813 -18.1813 -14.8162 -14.8162 -14.8151 -14.8151 -9.5931 -9.5931 -5.0547 -5.0547 -5.0190 -5.0190 -3.7396 -3.7396 -3.4164 -3.4164 -3.2462 -3.2462 -3.2270 -3.2270 -3.0180 -3.0180 -2.9523 -2.9523 2.4445 2.4445 2.4659 2.4659 3.3181 3.3181 3.3587 3.3587 3.9576 3.9576 3.9895 3.9895 4.3669 4.3669 4.3790 4.3790 4.5656 4.5656 4.9880 4.9880 5.0905 5.0905 5.1555 5.1555 5.6133 5.6133 5.6970 5.6970 6.0486 6.0486 7.9957 7.9957 8.0794 8.0794 8.8255 8.8255 8.9338 8.9338 9.2987 9.2987 9.3321 9.3321 9.5081 9.5081 9.8534 9.8534 10.6119 10.6119 10.6444 10.6444 12.8742 12.8742 13.3031 13.3031 13.8478 13.8478 k =-0.0362 0.1185 1.6671 ( 6548 PWs) bands (ev): -18.1843 -18.1843 -18.1819 -18.1819 -14.8154 -14.8154 -14.8140 -14.8140 -9.5950 -9.5950 -5.0588 -5.0588 -5.0154 -5.0154 -3.7491 -3.7491 -3.4325 -3.4325 -3.2373 -3.2373 -3.2167 -3.2167 -3.0160 -3.0160 -2.9386 -2.9386 2.4514 2.4514 2.4750 2.4750 3.3193 3.3193 3.3601 3.3601 3.9560 3.9560 3.9897 3.9897 4.3606 4.3606 4.3768 4.3768 4.5633 4.5633 4.9842 4.9842 5.0964 5.0964 5.1582 5.1582 5.6196 5.6196 5.6991 5.6991 6.0539 6.0539 7.9979 7.9979 8.0816 8.0816 8.8275 8.8275 8.9320 8.9320 9.2941 9.2941 9.3286 9.3286 9.5027 9.5027 9.8553 9.8553 10.6034 10.6034 10.6366 10.6366 12.8827 12.8827 13.2884 13.2884 13.8315 13.8315 k =-0.0427 0.1396 1.6451 ( 6552 PWs) bands (ev): -18.1859 -18.1859 -18.1828 -18.1828 -14.8143 -14.8143 -14.8125 -14.8125 -9.5973 -9.5973 -5.0631 -5.0631 -5.0117 -5.0117 -3.7607 -3.7607 -3.4514 -3.4514 -3.2276 -3.2276 -3.2041 -3.2041 -3.0113 -3.0113 -2.9233 -2.9233 2.4591 2.4591 2.4884 2.4884 3.3203 3.3203 3.3622 3.3622 3.9542 3.9542 3.9893 3.9893 4.3533 4.3533 4.3735 4.3735 4.5605 4.5605 4.9795 4.9795 5.1026 5.1026 5.1630 5.1630 5.6269 5.6269 5.7026 5.7026 6.0608 6.0608 8.0007 8.0007 8.0845 8.0845 8.8301 8.8301 8.9296 8.9296 9.2881 9.2881 9.3241 9.3241 9.4959 9.4959 9.8574 9.8574 10.5923 10.5923 10.6264 10.6264 12.8919 12.8919 13.2715 13.2715 13.8129 13.8129 k =-0.0491 0.1607 1.6231 ( 6558 PWs) bands (ev): -18.1877 -18.1877 -18.1840 -18.1840 -14.8129 -14.8129 -14.8108 -14.8108 -9.6001 -9.6001 -5.0674 -5.0674 -5.0081 -5.0081 -3.7740 -3.7740 -3.4717 -3.4717 -3.2181 -3.2181 -3.1897 -3.1897 -3.0038 -3.0038 -2.9067 -2.9067 2.4674 2.4674 2.5059 2.5059 3.3212 3.3212 3.3650 3.3650 3.9521 3.9521 3.9883 3.9883 4.3450 4.3450 4.3693 4.3693 4.5573 4.5573 4.9743 4.9743 5.1079 5.1079 5.1705 5.1705 5.6349 5.6349 5.7079 5.7079 6.0691 6.0691 8.0041 8.0041 8.0881 8.0881 8.8333 8.8333 8.9265 8.9265 9.2808 9.2808 9.3186 9.3186 9.4876 9.4876 9.8599 9.8599 10.5785 10.5785 10.6142 10.6142 12.9009 12.9009 13.2541 13.2541 13.7925 13.7925 k =-0.0555 0.1818 1.6010 ( 6548 PWs) bands (ev): -18.1899 -18.1899 -18.1854 -18.1854 -14.8113 -14.8113 -14.8088 -14.8088 -9.6035 -9.6035 -5.0716 -5.0716 -5.0048 -5.0048 -3.7886 -3.7886 -3.4926 -3.4926 -3.2096 -3.2096 -3.1736 -3.1736 -2.9935 -2.9935 -2.8891 -2.8891 2.4766 2.4766 2.5273 2.5273 3.3220 3.3220 3.3685 3.3685 3.9497 3.9497 3.9864 3.9864 4.3361 4.3361 4.3641 4.3641 4.5537 4.5537 4.9691 4.9691 5.1118 5.1118 5.1810 5.1810 5.6431 5.6431 5.7152 5.7152 6.0788 6.0788 8.0081 8.0081 8.0923 8.0923 8.8371 8.8371 8.9226 8.9226 9.2723 9.2723 9.3122 9.3122 9.4782 9.4782 9.8626 9.8626 10.5620 10.5620 10.6001 10.6001 12.9083 12.9083 13.2380 13.2380 13.7709 13.7709 k =-0.0620 0.2029 1.5790 ( 6550 PWs) bands (ev): -18.1922 -18.1922 -18.1871 -18.1871 -14.8094 -14.8094 -14.8065 -14.8065 -9.6073 -9.6073 -5.0758 -5.0758 -5.0018 -5.0018 -3.8042 -3.8042 -3.5135 -3.5135 -3.2022 -3.2022 -3.1562 -3.1562 -2.9807 -2.9807 -2.8706 -2.8706 2.4869 2.4869 2.5522 2.5522 3.3230 3.3230 3.3726 3.3726 3.9467 3.9467 3.9835 3.9835 4.3266 4.3266 4.3584 4.3584 4.5498 4.5498 4.9639 4.9639 5.1141 5.1141 5.1943 5.1943 5.6510 5.6510 5.7249 5.7249 6.0898 6.0898 8.0126 8.0126 8.0970 8.0970 8.8416 8.8416 8.9178 8.9178 9.2625 9.2625 9.3048 9.3048 9.4676 9.4676 9.8656 9.8656 10.5425 10.5425 10.5844 10.5844 12.9124 12.9124 13.2251 13.2251 13.7486 13.7486 k =-0.0684 0.2240 1.5569 ( 6555 PWs) bands (ev): -18.1948 -18.1948 -18.1890 -18.1890 -14.8073 -14.8073 -14.8041 -14.8041 -9.6115 -9.6115 -5.0798 -5.0798 -4.9992 -4.9992 -3.8204 -3.8204 -3.5343 -3.5343 -3.1957 -3.1957 -3.1377 -3.1377 -2.9660 -2.9660 -2.8514 -2.8514 2.4983 2.4983 2.5805 2.5805 3.3241 3.3241 3.3774 3.3774 3.9430 3.9430 3.9793 3.9793 4.3167 4.3167 4.3521 4.3521 4.5455 4.5455 4.9589 4.9589 5.1149 5.1149 5.2100 5.2100 5.6584 5.6584 5.7371 5.7371 6.1022 6.1022 8.0176 8.0176 8.1024 8.1024 8.8468 8.8468 8.9120 8.9120 9.2516 9.2516 9.2965 9.2965 9.4560 9.4560 9.8686 9.8686 10.5201 10.5201 10.5673 10.5673 12.9114 12.9114 13.2178 13.2178 13.7260 13.7260 k =-0.0749 0.2450 1.5349 ( 6547 PWs) bands (ev): -18.1976 -18.1976 -18.1912 -18.1912 -14.8049 -14.8049 -14.8014 -14.8014 -9.6161 -9.6161 -5.0836 -5.0836 -4.9970 -4.9970 -3.8369 -3.8369 -3.5545 -3.5545 -3.1899 -3.1899 -3.1185 -3.1185 -2.9498 -2.9498 -2.8317 -2.8317 2.5110 2.5110 2.6119 2.6119 3.3256 3.3256 3.3829 3.3829 3.9384 3.9384 3.9738 3.9738 4.3067 4.3067 4.3455 4.3455 4.5410 4.5410 4.9542 4.9542 5.1146 5.1146 5.2276 5.2276 5.6652 5.6652 5.7519 5.7519 6.1158 6.1158 8.0231 8.0231 8.1083 8.1083 8.8526 8.8526 8.9052 8.9052 9.2396 9.2396 9.2873 9.2873 9.4438 9.4438 9.8717 9.8717 10.4947 10.4947 10.5490 10.5490 12.9036 12.9036 13.2175 13.2175 13.7036 13.7036 k =-0.0813 0.2661 1.5128 ( 6554 PWs) bands (ev): -18.2006 -18.2006 -18.1935 -18.1935 -14.8023 -14.8023 -14.7985 -14.7985 -9.6211 -9.6211 -5.0873 -5.0873 -4.9953 -4.9953 -3.8537 -3.8537 -3.5741 -3.5741 -3.1842 -3.1842 -3.0988 -3.0988 -2.9326 -2.9326 -2.8115 -2.8115 2.5248 2.5248 2.6463 2.6463 3.3275 3.3275 3.3892 3.3892 3.9328 3.9328 3.9668 3.9668 4.2966 4.2966 4.3388 4.3388 4.5363 4.5363 4.9499 4.9499 5.1134 5.1134 5.2469 5.2469 5.6715 5.6715 5.7691 5.7691 6.1305 6.1305 8.0291 8.0291 8.1148 8.1148 8.8591 8.8591 8.8972 8.8972 9.2267 9.2267 9.2773 9.2773 9.4309 9.4309 9.8747 9.8747 10.4664 10.4664 10.5297 10.5297 12.8887 12.8887 13.2245 13.2245 13.6815 13.6815 k =-0.0877 0.2872 1.4908 ( 6558 PWs) bands (ev): -18.2037 -18.2037 -18.1961 -18.1961 -14.7995 -14.7995 -14.7954 -14.7954 -9.6265 -9.6265 -5.0908 -5.0908 -4.9942 -4.9942 -3.8703 -3.8703 -3.5928 -3.5928 -3.1786 -3.1786 -3.0788 -3.0788 -2.9147 -2.9147 -2.7911 -2.7911 2.5398 2.5398 2.6835 2.6835 3.3299 3.3299 3.3964 3.3964 3.9259 3.9259 3.9582 3.9582 4.2866 4.2866 4.3320 4.3320 4.5315 4.5315 4.9459 4.9459 5.1112 5.1112 5.2676 5.2676 5.6774 5.6774 5.7882 5.7882 6.1463 6.1463 8.0355 8.0355 8.1218 8.1218 8.8658 8.8658 8.8883 8.8883 9.2129 9.2129 9.2664 9.2664 9.4177 9.4177 9.8776 9.8776 10.4351 10.4351 10.5097 10.5097 12.8672 12.8672 13.2382 13.2382 13.6599 13.6599 k =-0.0942 0.3083 1.4687 ( 6558 PWs) bands (ev): -18.2070 -18.2070 -18.1988 -18.1988 -14.7966 -14.7966 -14.7922 -14.7922 -9.6321 -9.6321 -5.0941 -5.0941 -4.9936 -4.9936 -3.8868 -3.8868 -3.6107 -3.6107 -3.1726 -3.1726 -3.0588 -3.0588 -2.8966 -2.8966 -2.7705 -2.7705 2.5559 2.5559 2.7233 2.7233 3.3329 3.3329 3.4045 3.4045 3.9177 3.9177 3.9480 3.9480 4.2768 4.2768 4.3251 4.3251 4.5265 4.5265 4.9424 4.9424 5.1081 5.1081 5.2895 5.2895 5.6831 5.6831 5.8090 5.8090 6.1631 6.1631 8.0424 8.0424 8.1294 8.1294 8.8690 8.8690 8.8822 8.8822 9.1983 9.1983 9.2546 9.2546 9.4044 9.4044 9.8802 9.8802 10.4011 10.4011 10.4892 10.4892 12.8402 12.8402 13.2569 13.2569 13.6388 13.6388 k =-0.1006 0.3294 1.4467 ( 6558 PWs) bands (ev): -18.2105 -18.2105 -18.2016 -18.2016 -14.7935 -14.7935 -14.7888 -14.7888 -9.6380 -9.6380 -5.0972 -5.0972 -4.9936 -4.9936 -3.9028 -3.9028 -3.6277 -3.6277 -3.1661 -3.1661 -3.0389 -3.0389 -2.8786 -2.8786 -2.7499 -2.7499 2.5730 2.5730 2.7654 2.7654 3.3367 3.3367 3.4137 3.4137 3.9082 3.9082 3.9363 3.9363 4.2671 4.2671 4.3181 4.3181 4.5217 4.5217 4.9393 4.9393 5.1042 5.1042 5.3124 5.3124 5.6887 5.6887 5.8314 5.8314 6.1809 6.1809 8.0496 8.0496 8.1376 8.1376 8.8600 8.8600 8.8875 8.8875 9.1830 9.1830 9.2419 9.2419 9.3912 9.3912 9.8825 9.8825 10.3643 10.3643 10.4683 10.4683 12.8087 12.8087 13.2794 13.2794 13.6177 13.6177 k =-0.1071 0.3505 1.4246 ( 6552 PWs) bands (ev): -18.2140 -18.2140 -18.2046 -18.2046 -14.7903 -14.7903 -14.7853 -14.7853 -9.6442 -9.6442 -5.1002 -5.1002 -4.9941 -4.9941 -3.9184 -3.9184 -3.6437 -3.6437 -3.1589 -3.1589 -3.0192 -3.0192 -2.8608 -2.8608 -2.7293 -2.7293 2.5912 2.5912 2.8097 2.8097 3.3413 3.3413 3.4239 3.4239 3.8972 3.8972 3.9232 3.9232 4.2575 4.2575 4.3109 4.3109 4.5170 4.5170 4.9366 4.9366 5.0994 5.0994 5.3364 5.3364 5.6943 5.6943 5.8549 5.8549 6.1994 6.1994 8.0571 8.0571 8.1462 8.1462 8.8458 8.8458 8.8970 8.8970 9.1670 9.1670 9.2285 9.2285 9.3782 9.3782 9.8844 9.8844 10.3250 10.3250 10.4472 10.4472 12.7735 12.7735 13.3041 13.3041 13.5959 13.5959 k =-0.1135 0.3715 1.4026 ( 6550 PWs) bands (ev): -18.2177 -18.2177 -18.2077 -18.2077 -14.7870 -14.7870 -14.7818 -14.7818 -9.6505 -9.6505 -5.1029 -5.1029 -4.9952 -4.9952 -3.9334 -3.9334 -3.6587 -3.6587 -3.1511 -3.1511 -2.9998 -2.9998 -2.8435 -2.8435 -2.7090 -2.7090 2.6102 2.6102 2.8558 2.8558 3.3468 3.3468 3.4354 3.4354 3.8848 3.8848 3.9088 3.9088 4.2479 4.2479 4.3033 4.3033 4.5125 4.5125 4.9344 4.9344 5.0936 5.0936 5.3613 5.3613 5.7000 5.7000 5.8794 5.8794 6.2188 6.2188 8.0649 8.0649 8.1555 8.1555 8.8291 8.8291 8.9082 8.9082 9.1505 9.1505 9.2141 9.2141 9.3658 9.3658 9.8858 9.8858 10.2832 10.2832 10.4262 10.4262 12.7352 12.7352 13.3300 13.3300 13.5714 13.5714 k =-0.1200 0.3926 1.3806 ( 6546 PWs) bands (ev): -18.2214 -18.2214 -18.2109 -18.2109 -14.7836 -14.7836 -14.7781 -14.7781 -9.6569 -9.6569 -5.1056 -5.1056 -4.9969 -4.9969 -3.9477 -3.9477 -3.6727 -3.6727 -3.1424 -3.1424 -2.9809 -2.9809 -2.8268 -2.8268 -2.6890 -2.6890 2.6299 2.6299 2.9035 2.9035 3.3532 3.3532 3.4482 3.4482 3.8710 3.8710 3.8935 3.8935 4.2383 4.2383 4.2952 4.2952 4.5084 4.5084 4.9326 4.9326 5.0870 5.0870 5.3871 5.3871 5.7058 5.7058 5.9048 5.9048 6.2388 6.2388 8.0730 8.0730 8.1654 8.1654 8.8104 8.8104 8.9205 8.9205 9.1334 9.1334 9.1987 9.1987 9.3541 9.3541 9.8865 9.8865 10.2391 10.2391 10.4055 10.4055 12.6940 12.6940 13.3563 13.3563 13.5410 13.5410 k =-0.1264 0.4137 1.3585 ( 6546 PWs) bands (ev): -18.2251 -18.2251 -18.2141 -18.2141 -14.7802 -14.7802 -14.7744 -14.7744 -9.6635 -9.6635 -5.1080 -5.1080 -4.9990 -4.9990 -3.9612 -3.9612 -3.6857 -3.6857 -3.1330 -3.1330 -2.9625 -2.9625 -2.8107 -2.8107 -2.6693 -2.6693 2.6504 2.6504 2.9525 2.9525 3.3608 3.3608 3.4624 3.4624 3.8561 3.8561 3.8774 3.8774 4.2285 4.2285 4.2862 4.2862 4.5049 4.5049 4.9311 4.9311 5.0793 5.0793 5.4135 5.4135 5.7116 5.7116 5.9308 5.9308 6.2594 6.2594 8.0813 8.0813 8.1758 8.1758 8.7897 8.7897 8.9341 8.9341 9.1159 9.1159 9.1824 9.1824 9.3432 9.3432 9.8864 9.8864 10.1929 10.1929 10.3853 10.3853 12.6502 12.6502 13.3821 13.3821 13.5000 13.5000 k =-0.1328 0.4348 1.3365 ( 6540 PWs) bands (ev): -18.2289 -18.2289 -18.2174 -18.2174 -14.7767 -14.7767 -14.7707 -14.7707 -9.6701 -9.6701 -5.1104 -5.1104 -5.0016 -5.0016 -3.9739 -3.9739 -3.6977 -3.6977 -3.1226 -3.1226 -2.9448 -2.9448 -2.7956 -2.7956 -2.6502 -2.6502 2.6714 2.6714 3.0023 3.0023 3.3694 3.3694 3.4782 3.4782 3.8402 3.8402 3.8609 3.8609 4.2183 4.2183 4.2763 4.2763 4.5020 4.5020 4.9301 4.9301 5.0706 5.0706 5.4406 5.4406 5.7175 5.7175 5.9572 5.9572 6.2804 6.2804 8.0899 8.0899 8.1869 8.1869 8.7672 8.7672 8.9488 8.9488 9.0979 9.0979 9.1650 9.1650 9.3332 9.3332 9.8855 9.8855 10.1449 10.1449 10.3658 10.3658 12.6039 12.6039 13.4064 13.4064 13.4459 13.4459 k =-0.1393 0.4559 1.3144 ( 6544 PWs) bands (ev): -18.2326 -18.2326 -18.2206 -18.2206 -14.7732 -14.7732 -14.7670 -14.7670 -9.6767 -9.6767 -5.1126 -5.1126 -5.0047 -5.0047 -3.9858 -3.9858 -3.7088 -3.7088 -3.1115 -3.1115 -2.9278 -2.9278 -2.7813 -2.7813 -2.6316 -2.6316 2.6927 2.6927 3.0526 3.0526 3.3793 3.3793 3.4956 3.4956 3.8235 3.8235 3.8441 3.8441 4.2075 4.2075 4.2651 4.2651 4.4998 4.4998 4.9295 4.9295 5.0609 5.0609 5.4682 5.4682 5.7235 5.7235 5.9840 5.9840 6.3017 6.3017 8.0986 8.0986 8.1986 8.1986 8.7429 8.7429 8.9646 8.9646 9.0794 9.0794 9.1467 9.1467 9.3241 9.3241 9.8836 9.8836 10.0951 10.0951 10.3474 10.3474 12.5554 12.5554 13.3763 13.3763 13.4321 13.4321 k =-0.1457 0.4770 1.2924 ( 6539 PWs) bands (ev): -18.2364 -18.2364 -18.2239 -18.2239 -14.7697 -14.7697 -14.7634 -14.7634 -9.6832 -9.6832 -5.1147 -5.1147 -5.0082 -5.0082 -3.9969 -3.9969 -3.7191 -3.7191 -3.0996 -3.0996 -2.9115 -2.9115 -2.7679 -2.7679 -2.6136 -2.6136 2.7144 2.7144 3.1029 3.1029 3.3903 3.3903 3.5147 3.5147 3.8063 3.8063 3.8275 3.8275 4.1959 4.1959 4.2525 4.2525 4.4982 4.4982 4.9291 4.9291 5.0502 5.0502 5.4962 5.4962 5.7295 5.7295 6.0110 6.0110 6.3233 6.3233 8.1077 8.1077 8.2110 8.2110 8.7172 8.7172 8.9814 8.9814 9.0606 9.0606 9.1275 9.1275 9.3161 9.3161 9.8805 9.8805 10.0438 10.0438 10.3303 10.3303 12.5049 12.5049 13.3011 13.3011 13.4534 13.4534 k =-0.1522 0.4981 1.2703 ( 6529 PWs) bands (ev): -18.2400 -18.2400 -18.2272 -18.2272 -14.7663 -14.7663 -14.7598 -14.7598 -9.6897 -9.6897 -5.1167 -5.1167 -5.0120 -5.0120 -4.0070 -4.0070 -3.7285 -3.7285 -3.0870 -3.0870 -2.8962 -2.8962 -2.7556 -2.7556 -2.5964 -2.5964 2.7361 2.7361 3.1528 3.1528 3.4027 3.4027 3.5356 3.5356 3.7890 3.7890 3.8113 3.8113 4.1835 4.1835 4.2386 4.2386 4.4974 4.4974 4.9291 4.9291 5.0385 5.0385 5.5246 5.5246 5.7355 5.7355 6.0379 6.0379 6.3450 6.3450 8.1170 8.1170 8.2241 8.2241 8.6902 8.6902 8.9981 8.9981 9.0422 9.0422 9.1079 9.1079 9.3091 9.3091 9.8762 9.8762 9.9913 9.9913 10.3146 10.3146 12.4528 12.4528 13.2208 13.2208 13.4726 13.4726 k =-0.1586 0.5191 1.2483 ( 6539 PWs) bands (ev): -18.2436 -18.2436 -18.2304 -18.2304 -14.7630 -14.7630 -14.7562 -14.7562 -9.6961 -9.6961 -5.1186 -5.1186 -5.0160 -5.0160 -4.0162 -4.0162 -3.7370 -3.7370 -3.0736 -3.0736 -2.8817 -2.8817 -2.7443 -2.7443 -2.5799 -2.5799 2.7577 2.7577 3.2016 3.2016 3.4163 3.4163 3.5578 3.5578 3.7718 3.7718 3.7962 3.7962 4.1699 4.1699 4.2233 4.2233 4.4973 4.4973 4.9294 4.9294 5.0257 5.0257 5.5530 5.5530 5.7415 5.7415 6.0646 6.0646 6.3667 6.3667 8.1266 8.1266 8.2379 8.2379 8.6621 8.6621 9.0062 9.0062 9.0317 9.0317 9.0886 9.0886 9.3030 9.3030 9.8706 9.8706 9.9379 9.9379 10.3005 10.3005 12.3997 12.3997 13.1384 13.1384 13.4876 13.4876 k =-0.1650 0.5402 1.2262 ( 6531 PWs) bands (ev): -18.2471 -18.2471 -18.2335 -18.2335 -14.7597 -14.7597 -14.7528 -14.7528 -9.7023 -9.7023 -5.1204 -5.1204 -5.0203 -5.0203 -4.0246 -4.0246 -3.7448 -3.7448 -3.0596 -3.0596 -2.8684 -2.8684 -2.7340 -2.7340 -2.5642 -2.5642 2.7791 2.7791 3.2490 3.2490 3.4312 3.4312 3.5808 3.5808 3.7551 3.7551 3.7831 3.7831 4.1551 4.1551 4.2066 4.2066 4.4977 4.4977 4.9298 4.9298 5.0119 5.0119 5.5814 5.5814 5.7474 5.7474 6.0910 6.0910 6.3883 6.3883 8.1367 8.1367 8.2524 8.2524 8.6335 8.6335 8.9902 8.9902 9.0413 9.0413 9.0734 9.0734 9.2979 9.2979 9.8633 9.8633 9.8840 9.8840 10.2882 10.2882 12.3461 12.3461 13.0556 13.0556 13.4661 13.4661 k =-0.1715 0.5613 1.2042 ( 6524 PWs) bands (ev): -18.2505 -18.2505 -18.2365 -18.2365 -14.7565 -14.7565 -14.7494 -14.7494 -9.7083 -9.7083 -5.1221 -5.1221 -5.0246 -5.0246 -4.0321 -4.0321 -3.7519 -3.7519 -3.0451 -3.0451 -2.8561 -2.8561 -2.7249 -2.7249 -2.5494 -2.5494 2.8001 2.8001 3.2944 3.2944 3.4474 3.4474 3.6030 3.6030 3.7390 3.7390 3.7738 3.7738 4.1390 4.1390 4.1885 4.1885 4.4987 4.4987 4.9303 4.9303 4.9973 4.9973 5.6096 5.6096 5.7531 5.7531 6.1168 6.1168 6.4095 6.4095 8.1473 8.1473 8.2674 8.2674 8.6045 8.6045 8.9660 8.9660 9.0390 9.0390 9.0784 9.0784 9.2935 9.2935 9.8288 9.8288 9.8553 9.8553 10.2777 10.2777 12.2926 12.2926 12.9734 12.9734 13.4117 13.4117 k =-0.1779 0.5824 1.1821 ( 6526 PWs) bands (ev): -18.2538 -18.2538 -18.2394 -18.2394 -14.7534 -14.7534 -14.7462 -14.7462 -9.7141 -9.7141 -5.1237 -5.1237 -5.0291 -5.0291 -4.0388 -4.0388 -3.7584 -3.7584 -3.0302 -3.0302 -2.8450 -2.8450 -2.7167 -2.7167 -2.5354 -2.5354 2.8205 2.8205 3.3377 3.3377 3.4649 3.4649 3.6215 3.6215 3.7237 3.7237 3.7715 3.7715 4.1214 4.1214 4.1693 4.1693 4.5001 4.5001 4.9309 4.9309 4.9819 4.9819 5.6374 5.6374 5.7587 5.7587 6.1419 6.1419 6.4303 6.4303 8.1586 8.1586 8.2830 8.2830 8.5754 8.5754 8.9383 8.9383 9.0242 9.0242 9.0996 9.0996 9.2899 9.2899 9.7743 9.7743 9.8448 9.8448 10.2691 10.2691 12.2398 12.2398 12.8929 12.8929 13.3547 13.3547 k =-0.1844 0.6035 1.1601 ( 6526 PWs) bands (ev): -18.2569 -18.2569 -18.2422 -18.2422 -14.7505 -14.7505 -14.7432 -14.7432 -9.7196 -9.7196 -5.1253 -5.1253 -5.0335 -5.0335 -4.0447 -4.0447 -3.7642 -3.7642 -3.0148 -3.0148 -2.8352 -2.8352 -2.7095 -2.7095 -2.5224 -2.5224 2.8402 2.8402 3.3785 3.3785 3.4836 3.4836 3.6326 3.6326 3.7091 3.7091 3.7799 3.7799 4.1024 4.1024 4.1491 4.1491 4.5017 4.5017 4.9310 4.9310 4.9661 4.9661 5.6645 5.6645 5.7641 5.7641 6.1661 6.1661 6.4505 6.4505 8.1707 8.1707 8.2989 8.2989 8.5467 8.5467 8.9077 8.9077 9.0087 9.0087 9.1248 9.1248 9.2870 9.2870 9.7201 9.7201 9.8327 9.8327 10.2623 10.2623 12.1885 12.1885 12.8148 12.8148 13.2981 13.2981 k =-0.1908 0.6246 1.1381 ( 6532 PWs) bands (ev): -18.2598 -18.2598 -18.2448 -18.2448 -14.7478 -14.7478 -14.7403 -14.7403 -9.7248 -9.7248 -5.1267 -5.1267 -5.0379 -5.0379 -4.0498 -4.0498 -3.7694 -3.7694 -2.9993 -2.9993 -2.8267 -2.8267 -2.7033 -2.7033 -2.5104 -2.5104 2.8589 2.8589 3.4170 3.4170 3.5034 3.5034 3.6351 3.6351 3.6955 3.6955 3.8001 3.8001 4.0818 4.0818 4.1278 4.1278 4.5036 4.5036 4.9294 4.9294 4.9513 4.9513 5.6908 5.6908 5.7692 5.7692 6.1893 6.1893 6.4700 6.4700 8.1838 8.1838 8.3151 8.3151 8.5187 8.5187 8.8746 8.8746 8.9947 8.9947 9.1521 9.1521 9.2847 9.2847 9.6665 9.6665 9.8188 9.8188 10.2572 10.2572 12.1392 12.1392 12.7398 12.7398 13.2436 13.2436 k =-0.1973 0.6456 1.1160 ( 6533 PWs) bands (ev): -18.2625 -18.2625 -18.2473 -18.2473 -14.7452 -14.7452 -14.7377 -14.7377 -9.7296 -9.7296 -5.1281 -5.1281 -5.0421 -5.0421 -4.0543 -4.0543 -3.7741 -3.7741 -2.9835 -2.9835 -2.8196 -2.8196 -2.6980 -2.6980 -2.4993 -2.4993 2.8766 2.8766 3.4531 3.4531 3.5241 3.5241 3.6314 3.6314 3.6830 3.6830 3.8293 3.8293 4.0598 4.0598 4.1058 4.1058 4.5056 4.5056 4.9213 4.9213 4.9424 4.9424 5.7161 5.7161 5.7740 5.7740 6.2111 6.2111 6.4885 6.4885 8.1980 8.1980 8.3314 8.3314 8.4919 8.4919 8.8392 8.8392 8.9824 8.9824 9.1808 9.1808 9.2832 9.2832 9.6139 9.6139 9.8030 9.8030 10.2537 10.2537 12.0924 12.0924 12.6687 12.6687 13.1923 13.1923 k =-0.2037 0.6667 1.0940 ( 6535 PWs) bands (ev): -18.2650 -18.2650 -18.2496 -18.2496 -14.7428 -14.7428 -14.7352 -14.7352 -9.7341 -9.7341 -5.1294 -5.1294 -5.0461 -5.0461 -4.0580 -4.0580 -3.7783 -3.7783 -2.9678 -2.9678 -2.8141 -2.8141 -2.6935 -2.6935 -2.4893 -2.4893 2.8930 2.8930 3.4869 3.4869 3.5453 3.5453 3.6245 3.6245 3.6721 3.6721 3.8636 3.8636 4.0365 4.0365 4.0832 4.0832 4.5076 4.5076 4.9058 4.9058 4.9404 4.9404 5.7399 5.7399 5.7785 5.7785 6.2316 6.2316 6.5059 6.5059 8.2136 8.2136 8.3473 8.3473 8.4666 8.4666 8.8022 8.8022 8.9720 8.9720 9.2103 9.2103 9.2826 9.2826 9.5629 9.5629 9.7852 9.7852 10.2516 10.2516 12.0487 12.0487 12.6019 12.6019 13.1449 13.1449 k =-0.2101 0.6878 1.0719 ( 6525 PWs) bands (ev): -18.2673 -18.2673 -18.2516 -18.2516 -14.7407 -14.7407 -14.7329 -14.7329 -9.7382 -9.7382 -5.1305 -5.1305 -5.0499 -5.0499 -4.0612 -4.0612 -3.7820 -3.7820 -2.9522 -2.9522 -2.8101 -2.8101 -2.6896 -2.6896 -2.4802 -2.4802 2.9080 2.9080 3.5186 3.5186 3.5662 3.5662 3.6170 3.6170 3.6639 3.6639 3.8998 3.8998 4.0121 4.0121 4.0603 4.0603 4.5096 4.5096 4.8879 4.8879 4.9406 4.9406 5.7622 5.7622 5.7827 5.7827 6.2504 6.2504 6.5221 6.5221 8.2305 8.2305 8.3623 8.3623 8.4436 8.4436 8.7639 8.7639 8.9636 8.9636 9.2391 9.2391 9.2843 9.2843 9.5140 9.5140 9.7654 9.7654 10.2507 10.2507 12.0085 12.0085 12.5402 12.5402 13.1020 13.1020 k =-0.2166 0.7089 1.0499 ( 6519 PWs) bands (ev): -18.2694 -18.2694 -18.2535 -18.2535 -14.7387 -14.7387 -14.7309 -14.7309 -9.7419 -9.7419 -5.1316 -5.1316 -5.0533 -5.0533 -4.0639 -4.0639 -3.7852 -3.7852 -2.9368 -2.9368 -2.8078 -2.8078 -2.6865 -2.6865 -2.4722 -2.4722 2.9216 2.9216 3.5472 3.5472 3.5846 3.5846 3.6107 3.6107 3.6604 3.6604 3.9348 3.9348 3.9868 3.9868 4.0381 4.0381 4.5115 4.5115 4.8695 4.8695 4.9412 4.9412 5.7826 5.7826 5.7865 5.7865 6.2674 6.2674 6.5369 6.5369 8.2490 8.2490 8.3750 8.3750 8.4242 8.4242 8.7248 8.7248 8.9573 8.9573 9.2610 9.2610 9.2941 9.2941 9.4679 9.4679 9.7437 9.7437 10.2507 10.2507 11.9722 11.9722 12.4842 12.4842 13.0637 13.0637 k =-0.2230 0.7300 1.0278 ( 6523 PWs) bands (ev): -18.2712 -18.2712 -18.2551 -18.2551 -14.7370 -14.7370 -14.7292 -14.7292 -9.7451 -9.7451 -5.1325 -5.1325 -5.0564 -5.0564 -4.0660 -4.0660 -3.7879 -3.7879 -2.9218 -2.9218 -2.8071 -2.8071 -2.6838 -2.6838 -2.4653 -2.4653 2.9336 2.9336 3.5692 3.5692 3.5959 3.5959 3.6116 3.6116 3.6650 3.6650 3.9557 3.9557 3.9684 3.9684 4.0207 4.0207 4.5132 4.5132 4.8513 4.8513 4.9420 4.9420 5.7897 5.7897 5.8010 5.8010 6.2825 6.2825 6.5502 6.5502 8.2689 8.2689 8.3805 8.3805 8.4133 8.4133 8.6855 8.6855 8.9529 8.9529 9.2688 9.2688 9.3185 9.3185 9.4253 9.4253 9.7200 9.7200 10.2513 10.2513 11.9401 11.9401 12.4345 12.4345 13.0304 13.0304 k =-0.2295 0.7511 1.0058 ( 6530 PWs) bands (ev): -18.2727 -18.2727 -18.2566 -18.2566 -14.7356 -14.7356 -14.7277 -14.7277 -9.7478 -9.7478 -5.1333 -5.1333 -5.0591 -5.0591 -4.0677 -4.0677 -3.7903 -3.7903 -2.9075 -2.9075 -2.8080 -2.8080 -2.6817 -2.6817 -2.4594 -2.4594 2.9439 2.9439 3.5777 3.5777 3.5979 3.5979 3.6273 3.6273 3.6792 3.6792 3.9319 3.9319 3.9691 3.9691 4.0255 4.0255 4.5148 4.5148 4.8340 4.8340 4.9427 4.9427 5.7925 5.7925 5.8169 5.8169 6.2956 6.2956 6.5617 6.5617 8.2903 8.2903 8.3736 8.3736 8.4164 8.4164 8.6465 8.6465 8.9506 8.9506 9.2707 9.2707 9.3470 9.3470 9.3895 9.3895 9.6946 9.6946 10.2523 10.2523 11.9125 11.9125 12.3914 12.3914 13.0020 13.0020 k =-0.2359 0.7721 0.9837 ( 6528 PWs) bands (ev): -18.2740 -18.2740 -18.2577 -18.2577 -14.7343 -14.7343 -14.7264 -14.7264 -9.7501 -9.7501 -5.1340 -5.1340 -5.0613 -5.0613 -4.0691 -4.0691 -3.7922 -3.7922 -2.8939 -2.8939 -2.8104 -2.8104 -2.6800 -2.6800 -2.4545 -2.4545 2.9524 2.9524 3.5765 3.5765 3.5970 3.5970 3.6508 3.6508 3.6998 3.6998 3.9049 3.9049 3.9508 3.9508 4.0485 4.0485 4.5161 4.5161 4.8183 4.8183 4.9434 4.9434 5.7949 5.7949 5.8304 5.8304 6.3064 6.3064 6.5713 6.5713 8.3122 8.3122 8.3634 8.3634 8.4247 8.4247 8.6085 8.6085 8.9499 8.9499 9.2712 9.2712 9.3449 9.3449 9.3907 9.3907 9.6676 9.6676 10.2535 10.2535 11.8897 11.8897 12.3556 12.3556 12.9788 12.9788 k =-0.2423 0.7932 0.9617 ( 6531 PWs) bands (ev): -18.2750 -18.2750 -18.2586 -18.2586 -14.7334 -14.7334 -14.7254 -14.7254 -9.7519 -9.7519 -5.1345 -5.1345 -5.0631 -5.0631 -4.0700 -4.0700 -3.7936 -3.7936 -2.8814 -2.8814 -2.8142 -2.8142 -2.6787 -2.6787 -2.4507 -2.4507 2.9591 2.9591 3.5734 3.5734 3.5947 3.5947 3.6758 3.6758 3.7231 3.7231 3.8777 3.8777 3.9289 3.9289 4.0714 4.0714 4.5171 4.5171 4.8049 4.8049 4.9440 4.9440 5.7968 5.7968 5.8410 5.8410 6.3150 6.3150 6.5789 6.5789 8.3309 8.3309 8.3588 8.3588 8.4324 8.4324 8.5724 8.5724 8.9505 8.9505 9.2713 9.2713 9.3190 9.3190 9.4215 9.4215 9.6395 9.6395 10.2547 10.2547 11.8717 11.8717 12.3273 12.3273 12.9607 12.9607 k =-0.2488 0.8143 0.9396 ( 6531 PWs) bands (ev): -18.2757 -18.2757 -18.2593 -18.2593 -14.7327 -14.7327 -14.7247 -14.7247 -9.7532 -9.7532 -5.1349 -5.1349 -5.0644 -5.0644 -4.0707 -4.0707 -3.7947 -3.7947 -2.8705 -2.8705 -2.8188 -2.8188 -2.6778 -2.6778 -2.4481 -2.4481 2.9639 2.9639 3.5706 3.5706 3.5925 3.5925 3.6991 3.6991 3.7466 3.7466 3.8513 3.8513 3.9082 3.9082 4.0893 4.0893 4.5179 4.5179 4.7946 4.7946 4.9444 4.9444 5.7981 5.7981 5.8487 5.8487 6.3211 6.3211 6.5844 6.5844 8.3351 8.3351 8.3712 8.3712 8.4380 8.4380 8.5398 8.5398 8.9518 8.9518 9.2714 9.2714 9.2980 9.2980 9.4531 9.4531 9.6113 9.6113 10.2557 10.2557 11.8588 11.8588 12.3069 12.3069 12.9477 12.9477 k =-0.2552 0.8354 0.9176 ( 6539 PWs) bands (ev): -18.2761 -18.2761 -18.2597 -18.2597 -14.7323 -14.7323 -14.7243 -14.7243 -9.7540 -9.7540 -5.1351 -5.1351 -5.0652 -5.0652 -4.0711 -4.0711 -3.7953 -3.7953 -2.8622 -2.8622 -2.8232 -2.8232 -2.6772 -2.6772 -2.4464 -2.4464 2.9668 2.9668 3.5688 3.5688 3.5909 3.5909 3.7171 3.7171 3.7684 3.7684 3.8273 3.8273 3.8924 3.8924 4.1007 4.1007 4.5184 4.5184 4.7881 4.7881 4.9446 4.9446 5.7989 5.7989 5.8534 5.8534 6.3248 6.3248 6.5878 6.5878 8.3327 8.3327 8.3905 8.3905 8.4401 8.4401 8.5144 8.5144 8.9529 8.9529 9.2715 9.2715 9.2845 9.2845 9.4807 9.4807 9.5861 9.5861 10.2563 10.2563 11.8510 11.8510 12.2945 12.2945 12.9400 12.9400 k =-0.2617 0.8565 0.8956 ( 6541 PWs) bands (ev): -18.2763 -18.2763 -18.2598 -18.2598 -14.7322 -14.7322 -14.7242 -14.7242 -9.7542 -9.7542 -5.1352 -5.1352 -5.0654 -5.0654 -4.0713 -4.0713 -3.7955 -3.7955 -2.8589 -2.8589 -2.8252 -2.8252 -2.6770 -2.6770 -2.4459 -2.4459 2.9678 2.9678 3.5681 3.5681 3.5904 3.5904 3.7243 3.7243 3.7809 3.7809 3.8138 3.8138 3.8862 3.8862 4.1045 4.1045 4.5185 4.5185 4.7859 4.7859 4.9447 4.9447 5.7992 5.7992 5.8550 5.8550 6.3261 6.3261 6.5889 6.5889 8.3316 8.3316 8.4006 8.4006 8.4394 8.4394 8.5040 8.5040 8.9534 8.9534 9.2717 9.2717 9.2797 9.2797 9.4938 9.4938 9.5738 9.5738 10.2565 10.2565 11.8484 11.8484 12.2904 12.2904 12.9374 12.9374 k =-0.2617 0.8565 0.8956 ( 6541 PWs) bands (ev): -18.2763 -18.2763 -18.2598 -18.2598 -14.7322 -14.7322 -14.7242 -14.7242 -9.7542 -9.7542 -5.1352 -5.1352 -5.0654 -5.0654 -4.0713 -4.0713 -3.7955 -3.7955 -2.8589 -2.8589 -2.8252 -2.8252 -2.6770 -2.6770 -2.4459 -2.4459 2.9678 2.9678 3.5681 3.5681 3.5904 3.5904 3.7243 3.7243 3.7809 3.7809 3.8138 3.8138 3.8862 3.8862 4.1045 4.1045 4.5185 4.5185 4.7859 4.7859 4.9447 4.9447 5.7992 5.7992 5.8550 5.8550 6.3261 6.3261 6.5889 6.5889 8.3316 8.3316 8.4006 8.4006 8.4394 8.4394 8.5040 8.5040 8.9534 8.9534 9.2717 9.2717 9.2797 9.2797 9.4938 9.4938 9.5738 9.5738 10.2565 10.2565 11.8484 11.8484 12.2904 12.2904 12.9374 12.9374 k =-0.2551 0.8351 0.8732 ( 6537 PWs) bands (ev): -18.2712 -18.2712 -18.2641 -18.2641 -14.7303 -14.7303 -14.7268 -14.7268 -9.7534 -9.7534 -5.1311 -5.1311 -5.0717 -5.0717 -4.0675 -4.0675 -3.7999 -3.7999 -2.8595 -2.8595 -2.8250 -2.8250 -2.6752 -2.6752 -2.4465 -2.4465 2.9644 2.9644 3.5732 3.5732 3.5868 3.5868 3.7384 3.7384 3.7675 3.7675 3.7986 3.7986 3.8987 3.8987 4.1051 4.1051 4.5178 4.5178 4.7760 4.7760 4.9509 4.9509 5.7977 5.7977 5.8539 5.8539 6.3428 6.3428 6.5719 6.5719 8.3308 8.3308 8.4043 8.4043 8.4357 8.4357 8.5084 8.5084 8.9484 8.9484 9.2750 9.2750 9.2804 9.2804 9.4976 9.4976 9.5724 9.5724 10.2601 10.2601 11.8425 11.8425 12.2989 12.2989 12.9186 12.9186 k =-0.2486 0.8136 0.8508 ( 6539 PWs) bands (ev): -18.2688 -18.2688 -18.2663 -18.2663 -14.7292 -14.7292 -14.7281 -14.7281 -9.7532 -9.7532 -5.1294 -5.1294 -5.0740 -5.0740 -4.0663 -4.0663 -3.8017 -3.8017 -2.8604 -2.8604 -2.8244 -2.8244 -2.6734 -2.6734 -2.4473 -2.4473 2.9632 2.9632 3.5776 3.5776 3.5824 3.5824 3.7458 3.7458 3.7592 3.7592 3.7863 3.7863 3.9140 3.9140 4.1061 4.1061 4.5171 4.5171 4.7631 4.7631 4.9608 4.9608 5.7960 5.7960 5.8547 5.8547 6.3501 6.3501 6.5656 6.5656 8.3308 8.3308 8.4072 8.4072 8.4320 8.4320 8.5096 8.5096 8.9472 8.9472 9.2756 9.2756 9.2803 9.2803 9.4989 9.4989 9.5717 9.5717 10.2618 10.2618 11.8394 11.8394 12.3112 12.3112 12.9022 12.9022 k =-0.2420 0.7922 0.8284 ( 6543 PWs) bands (ev): -18.2737 -18.2737 -18.2618 -18.2618 -14.7312 -14.7312 -14.7257 -14.7257 -9.7537 -9.7537 -5.1307 -5.1307 -5.0715 -5.0715 -4.0677 -4.0677 -3.8006 -3.8006 -2.8616 -2.8616 -2.8234 -2.8234 -2.6718 -2.6718 -2.4482 -2.4482 2.9645 2.9645 3.5767 3.5767 3.5818 3.5818 3.7365 3.7365 3.7579 3.7579 3.7851 3.7851 3.9314 3.9314 4.1074 4.1074 4.5163 4.5163 4.7488 4.7488 4.9725 4.9725 5.7941 5.7941 5.8574 5.8574 6.3463 6.3463 6.5717 6.5717 8.3318 8.3318 8.4085 8.4085 8.4299 8.4299 8.5071 8.5071 8.9501 8.9501 9.2734 9.2734 9.2794 9.2794 9.4977 9.4977 9.5716 9.5716 10.2617 10.2617 11.8394 11.8394 12.3272 12.3272 12.8882 12.8882 k =-0.2355 0.7708 0.8060 ( 6551 PWs) bands (ev): -18.2790 -18.2790 -18.2576 -18.2576 -14.7330 -14.7330 -14.7229 -14.7229 -9.7547 -9.7547 -5.1343 -5.1343 -5.0651 -5.0651 -4.0718 -4.0718 -3.7969 -3.7969 -2.8630 -2.8630 -2.8219 -2.8219 -2.6703 -2.6703 -2.4491 -2.4491 2.9682 2.9682 3.5705 3.5705 3.5849 3.5849 3.7236 3.7236 3.7493 3.7493 3.7965 3.7965 3.9507 3.9507 4.1090 4.1090 4.5156 4.5156 4.7345 4.7345 4.9849 4.9849 5.7921 5.7921 5.8620 5.8620 6.3332 6.3332 6.5883 6.5883 8.3335 8.3335 8.4070 8.4070 8.4301 8.4301 8.5013 8.5013 8.9566 8.9566 9.2687 9.2687 9.2775 9.2775 9.4941 9.4941 9.5721 9.5721 10.2597 10.2597 11.8425 11.8425 12.3466 12.3466 12.8763 12.8763 k =-0.2290 0.7494 0.7836 ( 6539 PWs) bands (ev): -18.2845 -18.2845 -18.2537 -18.2537 -14.7344 -14.7344 -14.7197 -14.7197 -9.7563 -9.7563 -5.1391 -5.1391 -5.0558 -5.0558 -4.0782 -4.0782 -3.7908 -3.7908 -2.8647 -2.8647 -2.8201 -2.8201 -2.6690 -2.6690 -2.4502 -2.4502 2.9745 2.9745 3.5635 3.5635 3.5872 3.5872 3.7100 3.7100 3.7395 3.7395 3.8114 3.8114 3.9716 3.9716 4.1111 4.1111 4.5150 4.5150 4.7210 4.7210 4.9975 4.9975 5.7899 5.7899 5.8684 5.8684 6.3140 6.3140 6.6123 6.6123 8.3360 8.3360 8.4029 8.4029 8.4309 8.4309 8.4944 8.4944 8.9665 8.9665 9.2617 9.2617 9.2747 9.2747 9.4882 9.4882 9.5732 9.5732 10.2558 10.2558 11.8488 11.8488 12.3694 12.3694 12.8665 12.8665 k =-0.2224 0.7280 0.7612 ( 6535 PWs) bands (ev): -18.2902 -18.2902 -18.2502 -18.2502 -14.7355 -14.7355 -14.7163 -14.7163 -9.7585 -9.7585 -5.1441 -5.1441 -5.0447 -5.0447 -4.0864 -4.0864 -3.7828 -3.7828 -2.8664 -2.8664 -2.8180 -2.8180 -2.6680 -2.6680 -2.4513 -2.4513 2.9833 2.9833 3.5557 3.5557 3.5887 3.5887 3.6960 3.6960 3.7308 3.7308 3.8271 3.8271 3.9936 3.9936 4.1136 4.1136 4.5145 4.5145 4.7087 4.7087 5.0099 5.0099 5.7877 5.7877 5.8766 5.8766 6.2916 6.2916 6.6407 6.6407 8.3389 8.3389 8.3967 8.3967 8.4292 8.4292 8.4895 8.4895 8.9791 8.9791 9.2523 9.2523 9.2708 9.2708 9.4802 9.4802 9.5750 9.5750 10.2500 10.2500 11.8585 11.8585 12.3950 12.3950 12.8586 12.8586 k =-0.2159 0.7066 0.7388 ( 6535 PWs) bands (ev): -18.2962 -18.2962 -18.2469 -18.2469 -14.7362 -14.7362 -14.7126 -14.7126 -9.7613 -9.7613 -5.1489 -5.1489 -5.0322 -5.0322 -4.0961 -4.0961 -3.7733 -3.7733 -2.8681 -2.8681 -2.8157 -2.8157 -2.6671 -2.6671 -2.4524 -2.4524 2.9947 2.9947 3.5474 3.5474 3.5892 3.5892 3.6818 3.6818 3.7235 3.7235 3.8431 3.8431 4.0163 4.0163 4.1167 4.1167 4.5143 4.5143 4.6981 4.6981 5.0224 5.0224 5.7853 5.7853 5.8865 5.8865 6.2676 6.2676 6.6718 6.6718 8.3419 8.3419 8.3882 8.3882 8.4230 8.4230 8.4902 8.4902 8.9937 8.9937 9.2407 9.2407 9.2659 9.2659 9.4705 9.4705 9.5774 9.5774 10.2421 10.2421 11.8716 11.8716 12.4228 12.4228 12.8525 12.8525 k =-0.2093 0.6852 0.7164 ( 6539 PWs) bands (ev): -18.3024 -18.3024 -18.2440 -18.2440 -14.7368 -14.7368 -14.7086 -14.7086 -9.7646 -9.7646 -5.1531 -5.1531 -5.0188 -5.0188 -4.1069 -4.1069 -3.7627 -3.7627 -2.8698 -2.8698 -2.8132 -2.8132 -2.6665 -2.6665 -2.4536 -2.4536 3.0087 3.0087 3.5384 3.5384 3.5887 3.5887 3.6675 3.6675 3.7174 3.7174 3.8591 3.8591 4.0390 4.0390 4.1203 4.1203 4.5145 4.5145 4.6893 4.6893 5.0351 5.0351 5.7829 5.7829 5.8982 5.8982 6.2431 6.2431 6.7043 6.7043 8.3430 8.3430 8.3770 8.3770 8.4146 8.4146 8.4965 8.4965 9.0099 9.0099 9.2270 9.2270 9.2600 9.2600 9.4592 9.4592 9.5803 9.5803 10.2323 10.2323 11.8880 11.8880 12.4517 12.4517 12.8485 12.8485 k =-0.2028 0.6638 0.6941 ( 6541 PWs) bands (ev): -18.3088 -18.3088 -18.2414 -18.2414 -14.7370 -14.7370 -14.7043 -14.7043 -9.7685 -9.7685 -5.1566 -5.1566 -5.0046 -5.0046 -4.1184 -4.1184 -3.7516 -3.7516 -2.8714 -2.8714 -2.8105 -2.8105 -2.6661 -2.6661 -2.4547 -2.4547 3.0254 3.0254 3.5289 3.5289 3.5871 3.5871 3.6533 3.6533 3.7122 3.7122 3.8749 3.8749 4.0611 4.0611 4.1246 4.1246 4.5152 4.5152 4.6826 4.6826 5.0485 5.0485 5.7805 5.7805 5.9116 5.9116 6.2188 6.2188 6.7377 6.7377 8.3357 8.3357 8.3684 8.3684 8.4073 8.4073 8.5067 8.5067 9.0269 9.0269 9.2114 9.2114 9.2531 9.2531 9.4468 9.4468 9.5839 9.5839 10.2205 10.2205 11.9079 11.9079 12.4802 12.4802 12.8472 12.8472 k =-0.1963 0.6424 0.6717 ( 6531 PWs) bands (ev): -18.3154 -18.3154 -18.2391 -18.2391 -14.7370 -14.7370 -14.6998 -14.6998 -9.7729 -9.7729 -5.1592 -5.1592 -4.9898 -4.9898 -4.1303 -4.1303 -3.7401 -3.7401 -2.8729 -2.8729 -2.8076 -2.8076 -2.6659 -2.6659 -2.4557 -2.4557 3.0447 3.0447 3.5191 3.5191 3.5844 3.5844 3.6393 3.6393 3.7078 3.7078 3.8905 3.8905 4.0817 4.0817 4.1297 4.1297 4.5167 4.5167 4.6779 4.6779 5.0633 5.0633 5.7780 5.7780 5.9266 5.9266 6.1949 6.1949 6.7713 6.7713 8.3153 8.3153 8.3674 8.3674 8.4027 8.4027 8.5193 8.5193 9.0444 9.0444 9.1941 9.1941 9.2452 9.2452 9.4337 9.4337 9.5881 9.5881 10.2068 10.2068 11.9311 11.9311 12.5060 12.5060 12.8498 12.8498 k =-0.1897 0.6209 0.6493 ( 6531 PWs) bands (ev): -18.3221 -18.3221 -18.2371 -18.2371 -14.7367 -14.7367 -14.6951 -14.6951 -9.7777 -9.7777 -5.1610 -5.1610 -4.9747 -4.9747 -4.1422 -4.1422 -3.7287 -3.7287 -2.8742 -2.8742 -2.8046 -2.8046 -2.6659 -2.6659 -2.4567 -2.4567 3.0666 3.0666 3.5089 3.5089 3.5805 3.5805 3.6257 3.6257 3.7039 3.7039 3.9057 3.9057 4.1002 4.1002 4.1358 4.1358 4.5192 4.5192 4.6750 4.6750 5.0802 5.0802 5.7755 5.7755 5.9432 5.9432 6.1717 6.1717 6.8047 6.8047 8.2873 8.2873 8.3688 8.3688 8.4012 8.4012 8.5336 8.5336 9.0616 9.0616 9.1756 9.1756 9.2363 9.2363 9.4201 9.4201 9.5929 9.5929 10.1911 10.1911 11.9575 11.9575 12.5261 12.5261 12.8582 12.8582 k =-0.1832 0.5995 0.6269 ( 6523 PWs) bands (ev): -18.3290 -18.3290 -18.2354 -18.2354 -14.7361 -14.7361 -14.6901 -14.6901 -9.7829 -9.7829 -5.1620 -5.1620 -4.9592 -4.9592 -4.1541 -4.1541 -3.7176 -3.7176 -2.8755 -2.8755 -2.8014 -2.8014 -2.6659 -2.6659 -2.4574 -2.4574 3.0911 3.0911 3.4986 3.4986 3.5754 3.5754 3.6125 3.6125 3.7001 3.7001 3.9205 3.9205 4.1158 4.1158 4.1430 4.1430 4.5228 4.5228 4.6737 4.6737 5.1003 5.1003 5.7730 5.7730 5.9613 5.9613 6.1493 6.1493 6.8378 6.8378 8.2554 8.2554 8.3689 8.3689 8.4035 8.4035 8.5489 8.5489 9.0775 9.0775 9.1569 9.1569 9.2263 9.2263 9.4066 9.4066 9.5982 9.5982 10.1735 10.1735 11.9869 11.9869 12.5370 12.5370 12.8746 12.8746 k =-0.1766 0.5781 0.6045 ( 6521 PWs) bands (ev): -18.3359 -18.3359 -18.2340 -18.2340 -14.7354 -14.7354 -14.6850 -14.6850 -9.7886 -9.7886 -5.1620 -5.1620 -4.9437 -4.9437 -4.1656 -4.1656 -3.7070 -3.7070 -2.8767 -2.8767 -2.7979 -2.7979 -2.6661 -2.6661 -2.4580 -2.4580 3.1181 3.1181 3.4880 3.4880 3.5691 3.5691 3.5999 3.5999 3.6964 3.6964 3.9346 3.9346 4.1282 4.1282 4.1513 4.1513 4.5278 4.5278 4.6732 4.6732 5.1244 5.1244 5.7706 5.7706 5.9808 5.9808 6.1277 6.1277 6.8701 6.8701 8.2210 8.2210 8.3669 8.3669 8.4092 8.4092 8.5649 8.5649 9.0889 9.0889 9.1411 9.1411 9.2154 9.2154 9.3934 9.3934 9.6041 9.6041 10.1541 10.1541 12.0191 12.0191 12.5358 12.5358 12.9007 12.9007 k =-0.1701 0.5567 0.5821 ( 6527 PWs) bands (ev): -18.3429 -18.3429 -18.2328 -18.2328 -14.7345 -14.7345 -14.6796 -14.6796 -9.7945 -9.7945 -5.1610 -5.1610 -4.9281 -4.9281 -4.1766 -4.1766 -3.6971 -3.6971 -2.8781 -2.8781 -2.7941 -2.7941 -2.6663 -2.6663 -2.4584 -2.4584 3.1475 3.1475 3.4774 3.4774 3.5616 3.5616 3.5879 3.5879 3.6924 3.6924 3.9481 3.9481 4.1379 4.1379 4.1599 4.1599 4.5344 4.5344 4.6730 4.6730 5.1535 5.1535 5.7681 5.7681 6.0016 6.0016 6.1072 6.1072 6.9014 6.9014 8.1846 8.1846 8.3635 8.3635 8.4172 8.4172 8.5812 8.5812 9.0871 9.0871 9.1368 9.1368 9.2037 9.2037 9.3809 9.3809 9.6104 9.6104 10.1329 10.1329 12.0538 12.0538 12.5215 12.5215 12.9363 12.9363 k =-0.1635 0.5353 0.5597 ( 6527 PWs) bands (ev): -18.3500 -18.3500 -18.2320 -18.2320 -14.7333 -14.7333 -14.6742 -14.6742 -9.8008 -9.8008 -5.1592 -5.1592 -4.9127 -4.9127 -4.1870 -4.1870 -3.6881 -3.6881 -2.8796 -2.8796 -2.7899 -2.7899 -2.6664 -2.6664 -2.4585 -2.4585 3.1793 3.1793 3.4668 3.4668 3.5527 3.5527 3.5766 3.5766 3.6879 3.6879 3.9608 3.9608 4.1456 4.1456 4.1682 4.1682 4.5426 4.5426 4.6722 4.6722 5.1885 5.1885 5.7657 5.7657 6.0232 6.0232 6.0881 6.0881 6.9314 6.9314 8.1466 8.1466 8.3593 8.3593 8.4266 8.4266 8.5977 8.5977 9.0706 9.0706 9.1451 9.1451 9.1916 9.1916 9.3697 9.3697 9.6172 9.6172 10.1101 10.1101 12.0905 12.0905 12.4945 12.4945 12.9798 12.9798 k =-0.1570 0.5139 0.5373 ( 6523 PWs) bands (ev): -18.3571 -18.3571 -18.2313 -18.2313 -14.7321 -14.7321 -14.6686 -14.6686 -9.8074 -9.8074 -5.1565 -5.1565 -4.8976 -4.8976 -4.1965 -4.1965 -3.6800 -3.6800 -2.8814 -2.8814 -2.7853 -2.7853 -2.6663 -2.6663 -2.4584 -2.4584 3.2132 3.2132 3.4563 3.4563 3.5429 3.5429 3.5659 3.5659 3.6828 3.6828 3.9727 3.9727 4.1513 4.1513 4.1764 4.1764 4.5527 4.5527 4.6702 4.6702 5.2298 5.2298 5.7634 5.7634 6.0429 6.0429 6.0732 6.0732 6.9600 6.9600 8.1074 8.1074 8.3548 8.3548 8.4371 8.4371 8.6139 8.6139 9.0484 9.0484 9.1542 9.1542 9.1822 9.1822 9.3601 9.3601 9.6243 9.6243 10.0857 10.0857 12.1285 12.1285 12.4559 12.4559 13.0293 13.0293 k =-0.1505 0.4925 0.5149 ( 6519 PWs) bands (ev): -18.3641 -18.3641 -18.2309 -18.2309 -14.7307 -14.7307 -14.6630 -14.6630 -9.8141 -9.8141 -5.1528 -5.1528 -4.8831 -4.8831 -4.2051 -4.2051 -3.6731 -3.6731 -2.8836 -2.8836 -2.7802 -2.7802 -2.6660 -2.6660 -2.4580 -2.4580 3.2493 3.2493 3.4460 3.4460 3.5322 3.5322 3.5556 3.5556 3.6770 3.6770 3.9838 3.9838 4.1547 4.1547 4.1850 4.1850 4.5646 4.5646 4.6666 4.6666 5.2774 5.2774 5.7611 5.7611 6.0425 6.0425 6.0803 6.0803 6.9868 6.9868 8.0671 8.0671 8.3500 8.3500 8.4482 8.4482 8.6297 8.6297 9.0242 9.0242 9.1509 9.1509 9.1849 9.1849 9.3524 9.3524 9.6319 9.6319 10.0598 10.0598 12.1670 12.1670 12.4070 12.4070 13.0823 13.0823 k =-0.1439 0.4711 0.4926 ( 6517 PWs) bands (ev): -18.3712 -18.3712 -18.2307 -18.2307 -14.7291 -14.7291 -14.6573 -14.6573 -9.8211 -9.8211 -5.1483 -5.1483 -4.8692 -4.8692 -4.2126 -4.2126 -3.6672 -3.6672 -2.8863 -2.8863 -2.7747 -2.7747 -2.6653 -2.6653 -2.4574 -2.4574 3.2872 3.2872 3.4360 3.4360 3.5211 3.5211 3.5455 3.5455 3.6702 3.6702 3.9941 3.9941 4.1559 4.1559 4.1943 4.1943 4.5783 4.5783 4.6614 4.6614 5.3315 5.3315 5.7588 5.7588 6.0274 6.0274 6.1042 6.1042 7.0116 7.0116 8.0257 8.0257 8.3450 8.3450 8.4597 8.4597 8.6447 8.6447 8.9992 8.9992 9.1371 9.1371 9.1968 9.1968 9.3471 9.3471 9.6398 9.6398 10.0327 10.0327 12.2047 12.2047 12.3492 12.3492 13.1299 13.1299 k =-0.1374 0.4496 0.4702 ( 6517 PWs) bands (ev): -18.3781 -18.3781 -18.2307 -18.2307 -14.7275 -14.7275 -14.6515 -14.6515 -9.8281 -9.8281 -5.1430 -5.1430 -4.8561 -4.8561 -4.2189 -4.2189 -3.6626 -3.6626 -2.8895 -2.8895 -2.7689 -2.7689 -2.6641 -2.6641 -2.4565 -2.4565 3.3266 3.3266 3.4264 3.4264 3.5099 3.5099 3.5354 3.5354 3.6624 3.6624 4.0035 4.0035 4.1551 4.1551 4.2046 4.2046 4.5931 4.5931 4.6550 4.6550 5.3914 5.3914 5.7567 5.7567 6.0108 6.0108 6.1313 6.1313 7.0343 7.0343 7.9835 7.9835 8.3400 8.3400 8.4716 8.4716 8.6587 8.6587 8.9740 8.9740 9.1201 9.1201 9.2104 9.2104 9.3444 9.3444 9.6479 9.6479 10.0045 10.0045 12.2400 12.2400 12.2840 12.2840 13.1237 13.1237 k =-0.1308 0.4282 0.4478 ( 6521 PWs) bands (ev): -18.3850 -18.3850 -18.2309 -18.2309 -14.7258 -14.7258 -14.6458 -14.6458 -9.8352 -9.8352 -5.1368 -5.1368 -4.8441 -4.8441 -4.2238 -4.2238 -3.6591 -3.6591 -2.8934 -2.8934 -2.7629 -2.7629 -2.6621 -2.6621 -2.4555 -2.4555 3.3670 3.3670 3.4176 3.4176 3.4986 3.4986 3.5253 3.5253 3.6537 3.6537 4.0121 4.0121 4.1526 4.1526 4.2155 4.2155 4.6074 4.6074 4.6493 4.6493 5.4567 5.4567 5.7547 5.7547 5.9944 5.9944 6.1600 6.1600 7.0546 7.0546 7.9405 7.9405 8.3348 8.3348 8.4837 8.4837 8.6714 8.6714 8.9488 8.9488 9.1014 9.1014 9.2239 9.2239 9.3447 9.3447 9.6563 9.6563 9.9753 9.9753 12.2117 12.2117 12.2717 12.2717 13.1003 13.1003 k =-0.1243 0.4068 0.4254 ( 6519 PWs) bands (ev): -18.3917 -18.3917 -18.2313 -18.2313 -14.7240 -14.7240 -14.6401 -14.6401 -9.8424 -9.8424 -5.1299 -5.1299 -4.8334 -4.8334 -4.2272 -4.2272 -3.6569 -3.6569 -2.8978 -2.8978 -2.7569 -2.7569 -2.6592 -2.6592 -2.4543 -2.4543 3.3999 3.3999 3.4179 3.4179 3.4874 3.4874 3.5154 3.5154 3.6439 3.6439 4.0200 4.0200 4.1490 4.1490 4.2269 4.2269 4.6142 4.6142 4.6512 4.6512 5.5267 5.5267 5.7528 5.7528 5.9783 5.9783 6.1900 6.1900 7.0725 7.0725 7.8969 7.8969 8.3296 8.3296 8.4959 8.4959 8.6825 8.6825 8.9239 8.9239 9.0816 9.0816 9.2369 9.2369 9.3482 9.3482 9.6649 9.6649 9.9454 9.9454 12.1353 12.1353 12.2959 12.2959 13.0768 13.0768 k =-0.1178 0.3854 0.4030 ( 6527 PWs) bands (ev): -18.3982 -18.3982 -18.2317 -18.2317 -14.7222 -14.7222 -14.6345 -14.6345 -9.8495 -9.8495 -5.1221 -5.1221 -4.8240 -4.8240 -4.2290 -4.2290 -3.6558 -3.6558 -2.9027 -2.9027 -2.7511 -2.7511 -2.6553 -2.6553 -2.4529 -2.4529 3.3969 3.3969 3.4542 3.4542 3.4770 3.4770 3.5060 3.5060 3.6331 3.6331 4.0272 4.0272 4.1447 4.1447 4.2387 4.2387 4.6081 4.6081 4.6664 4.6664 5.6006 5.6006 5.7511 5.7511 5.9625 5.9625 6.2212 6.2212 7.0878 7.0878 7.8527 7.8527 8.3244 8.3244 8.5080 8.5080 8.6917 8.6917 8.8994 8.8994 9.0608 9.0608 9.2492 9.2492 9.3550 9.3550 9.6735 9.6735 9.9150 9.9150 12.0550 12.0550 12.3107 12.3107 13.0574 13.0574 k =-0.1112 0.3640 0.3806 ( 6541 PWs) bands (ev): -18.4046 -18.4046 -18.2323 -18.2323 -14.7203 -14.7203 -14.6290 -14.6290 -9.8565 -9.8565 -5.1137 -5.1137 -4.8162 -4.8162 -4.2293 -4.2293 -3.6559 -3.6559 -2.9082 -2.9082 -2.7457 -2.7457 -2.6501 -2.6501 -2.4515 -2.4515 3.3894 3.3894 3.4637 3.4637 3.4891 3.4891 3.5071 3.5071 3.6215 3.6215 4.0339 4.0339 4.1400 4.1400 4.2505 4.2505 4.5960 4.5960 4.6882 4.6882 5.6770 5.6770 5.7505 5.7505 5.9471 5.9471 6.2535 6.2535 7.1004 7.1004 7.8080 7.8080 8.3191 8.3191 8.5199 8.5199 8.6986 8.6986 8.8755 8.8755 9.0394 9.0394 9.2609 9.2609 9.3653 9.3653 9.6822 9.6822 9.8843 9.8843 11.9722 11.9722 12.3138 12.3138 12.9852 12.9852 k =-0.1047 0.3426 0.3582 ( 6553 PWs) bands (ev): -18.4108 -18.4108 -18.2330 -18.2330 -14.7185 -14.7185 -14.6236 -14.6236 -9.8634 -9.8634 -5.1046 -5.1046 -4.8100 -4.8100 -4.2279 -4.2279 -3.6571 -3.6571 -2.9140 -2.9140 -2.7410 -2.7410 -2.6436 -2.6436 -2.4501 -2.4501 3.3819 3.3819 3.4533 3.4533 3.4837 3.4837 3.5470 3.5470 3.6091 3.6091 4.0399 4.0399 4.1351 4.1351 4.2624 4.2624 4.5815 4.5815 4.7130 4.7130 5.7375 5.7375 5.7684 5.7684 5.9321 5.9321 6.2869 6.2869 7.1105 7.1105 7.7629 7.7629 8.3139 8.3139 8.5316 8.5316 8.7028 8.7028 8.8525 8.8525 9.0176 9.0176 9.2719 9.2719 9.3791 9.3791 9.6908 9.6908 9.8537 9.8537 11.8880 11.8880 12.3041 12.3041 12.8732 12.8732 k =-0.0981 0.3212 0.3358 ( 6547 PWs) bands (ev): -18.4167 -18.4167 -18.2337 -18.2337 -14.7167 -14.7167 -14.6184 -14.6184 -9.8701 -9.8701 -5.0949 -5.0949 -4.8055 -4.8055 -4.2248 -4.2248 -3.6592 -3.6592 -2.9202 -2.9202 -2.7370 -2.7370 -2.6358 -2.6358 -2.4487 -2.4487 3.3750 3.3750 3.4425 3.4425 3.4748 3.4748 3.5912 3.5912 3.5962 3.5962 4.0454 4.0454 4.1303 4.1303 4.2740 4.2740 4.5658 4.5658 4.7396 4.7396 5.7421 5.7421 5.8434 5.8434 5.9185 5.9185 6.3211 6.3211 7.1181 7.1181 7.7174 7.7174 8.3086 8.3086 8.5429 8.5429 8.7039 8.7039 8.8304 8.8304 8.9961 8.9961 9.2823 9.2823 9.3963 9.3963 9.6994 9.6994 9.8234 9.8234 11.8031 11.8031 12.2825 12.2825 12.7625 12.7625 k =-0.0916 0.2998 0.3134 ( 6553 PWs) bands (ev): -18.4224 -18.4224 -18.2345 -18.2345 -14.7149 -14.7149 -14.6134 -14.6134 -9.8767 -9.8767 -5.0846 -5.0846 -4.8028 -4.8028 -4.2203 -4.2203 -3.6623 -3.6623 -2.9267 -2.9267 -2.7337 -2.7337 -2.6269 -2.6269 -2.4475 -2.4475 3.3686 3.3686 3.4319 3.4319 3.4660 3.4660 3.5826 3.5826 3.6359 3.6359 4.0505 4.0505 4.1256 4.1256 4.2853 4.2853 4.5494 4.5494 4.7677 4.7677 5.7411 5.7411 5.8948 5.8948 5.9356 5.9356 6.3563 6.3563 7.1233 7.1233 7.6718 7.6718 8.3034 8.3034 8.5535 8.5535 8.7014 8.7014 8.8093 8.8093 8.9752 8.9752 9.2919 9.2919 9.4168 9.4168 9.7077 9.7077 9.7938 9.7938 11.7186 11.7186 12.2513 12.2513 12.6545 12.6545 k =-0.0850 0.2784 0.2911 ( 6553 PWs) bands (ev): -18.4278 -18.4278 -18.2354 -18.2354 -14.7131 -14.7131 -14.6085 -14.6085 -9.8829 -9.8829 -5.0737 -5.0737 -4.8018 -4.8018 -4.2143 -4.2143 -3.6662 -3.6662 -2.9332 -2.9332 -2.7311 -2.7311 -2.6169 -2.6169 -2.4464 -2.4464 3.3628 3.3628 3.4215 3.4215 3.4576 3.4576 3.5687 3.5687 3.6801 3.6801 4.0552 4.0552 4.1213 4.1213 4.2963 4.2963 4.5326 4.5326 4.7968 4.7968 5.7395 5.7395 5.8840 5.8840 6.0165 6.0165 6.3923 6.3923 7.1263 7.1263 7.6260 7.6260 8.2982 8.2982 8.5634 8.5634 8.6948 8.6948 8.7895 8.7895 8.9556 8.9556 9.3008 9.3008 9.4406 9.4406 9.7154 9.7154 9.7653 9.7653 11.6349 11.6349 12.2136 12.2136 12.5500 12.5500 k =-0.0785 0.2569 0.2687 ( 6557 PWs) bands (ev): -18.4329 -18.4329 -18.2363 -18.2363 -14.7114 -14.7114 -14.6040 -14.6040 -9.8889 -9.8889 -5.0624 -5.0624 -4.8025 -4.8025 -4.2070 -4.2070 -3.6708 -3.6708 -2.9398 -2.9398 -2.7291 -2.7291 -2.6062 -2.6062 -2.4456 -2.4456 3.3577 3.3577 3.4114 3.4114 3.4498 3.4498 3.5547 3.5547 3.7235 3.7235 4.0594 4.0594 4.1174 4.1174 4.3066 4.3066 4.5157 4.5157 4.8265 4.8265 5.7378 5.7378 5.8698 5.8698 6.1013 6.1013 6.4291 6.4291 7.1274 7.1274 7.5802 7.5802 8.2931 8.2931 8.5720 8.5720 8.6840 8.6840 8.7709 8.7709 8.9378 8.9378 9.3089 9.3089 9.4673 9.4673 9.7204 9.7204 9.7405 9.7405 11.5529 11.5529 12.1720 12.1720 12.4497 12.4497 k =-0.0720 0.2355 0.2463 ( 6561 PWs) bands (ev): -18.4376 -18.4376 -18.2371 -18.2371 -14.7099 -14.7099 -14.5996 -14.5996 -9.8946 -9.8946 -5.0506 -5.0506 -4.8049 -4.8049 -4.1987 -4.1987 -3.6761 -3.6761 -2.9464 -2.9464 -2.7275 -2.7275 -2.5950 -2.5950 -2.4451 -2.4451 3.3532 3.3532 3.4017 3.4017 3.4427 3.4427 3.5407 3.5407 3.7656 3.7656 4.0633 4.0633 4.1139 4.1139 4.3163 4.3163 4.4990 4.4990 4.8566 4.8566 5.7360 5.7360 5.8554 5.8554 6.1859 6.1859 6.4666 6.4666 7.1268 7.1268 7.5346 7.5346 8.2880 8.2880 8.5787 8.5787 8.6697 8.6697 8.7537 8.7537 8.9222 8.9222 9.3161 9.3161 9.4966 9.4966 9.7068 9.7068 9.7353 9.7353 11.4731 11.4731 12.1289 12.1289 12.3544 12.3544 k =-0.0654 0.2141 0.2239 ( 6567 PWs) bands (ev): -18.4420 -18.4420 -18.2380 -18.2380 -14.7083 -14.7083 -14.5956 -14.5956 -9.8999 -9.8999 -5.0385 -5.0385 -4.8088 -4.8088 -4.1897 -4.1897 -3.6817 -3.6817 -2.9527 -2.9527 -2.7262 -2.7262 -2.5835 -2.5835 -2.4450 -2.4450 3.3494 3.3494 3.3923 3.3923 3.4362 3.4362 3.5268 3.5268 3.8062 3.8062 4.0668 4.0668 4.1109 4.1109 4.3252 4.3252 4.4828 4.4828 4.8866 4.8866 5.7340 5.7340 5.8412 5.8412 6.2691 6.2691 6.5048 6.5048 7.1249 7.1249 7.4891 7.4891 8.2830 8.2830 8.5818 8.5818 8.6539 8.6539 8.7379 8.7379 8.9089 8.9089 9.3226 9.3226 9.5280 9.5280 9.6834 9.6834 9.7412 9.7412 11.3960 11.3960 12.0861 12.0861 12.2648 12.2648 k =-0.0589 0.1927 0.2015 ( 6567 PWs) bands (ev): -18.4461 -18.4461 -18.2388 -18.2388 -14.7070 -14.7070 -14.5919 -14.5919 -9.9047 -9.9047 -5.0260 -5.0260 -4.8140 -4.8140 -4.1800 -4.1800 -3.6877 -3.6877 -2.9588 -2.9588 -2.7253 -2.7253 -2.5720 -2.5720 -2.4453 -2.4453 3.3463 3.3463 3.3835 3.3835 3.4304 3.4304 3.5133 3.5133 3.8448 3.8448 4.0700 4.0700 4.1083 4.1083 4.3332 4.3332 4.4674 4.4674 4.9161 4.9161 5.7318 5.7318 5.8273 5.8273 6.3499 6.3499 6.5436 6.5436 7.1220 7.1220 7.4441 7.4441 8.2780 8.2780 8.5776 8.5776 8.6408 8.6408 8.7234 8.7234 8.8978 8.8978 9.3282 9.3282 9.5609 9.5609 9.6610 9.6610 9.7476 9.7476 11.3222 11.3222 12.0448 12.0448 12.1818 12.1818 k =-0.0523 0.1713 0.1791 ( 6565 PWs) bands (ev): -18.4497 -18.4497 -18.2395 -18.2395 -14.7057 -14.7057 -14.5885 -14.5885 -9.9092 -9.9092 -5.0133 -5.0133 -4.8206 -4.8206 -4.1702 -4.1702 -3.6939 -3.6939 -2.9645 -2.9645 -2.7246 -2.7246 -2.5605 -2.5605 -2.4460 -2.4460 3.3438 3.3438 3.3754 3.3754 3.4254 3.4254 3.5002 3.5002 3.8810 3.8810 4.0728 4.0728 4.1060 4.1060 4.3401 4.3401 4.4530 4.4530 4.9447 4.9447 5.7294 5.7294 5.8140 5.8140 6.4269 6.4269 6.5831 6.5831 7.1185 7.1185 7.3998 7.3998 8.2731 8.2731 8.5628 8.5628 8.6346 8.6346 8.7104 8.7104 8.8886 8.8886 9.3330 9.3330 9.5946 9.5946 9.6406 9.6406 9.7538 9.7538 11.2525 11.2525 12.0057 12.0057 12.1060 12.1060 k =-0.0458 0.1499 0.1567 ( 6563 PWs) bands (ev): -18.4530 -18.4530 -18.2403 -18.2403 -14.7045 -14.7045 -14.5855 -14.5855 -9.9132 -9.9132 -5.0003 -5.0003 -4.8282 -4.8282 -4.1605 -4.1605 -3.7000 -3.7000 -2.9698 -2.9698 -2.7240 -2.7240 -2.5494 -2.5494 -2.4473 -2.4473 3.3419 3.3419 3.3679 3.3679 3.4212 3.4212 3.4877 3.4877 3.9147 3.9147 4.0753 4.0753 4.1040 4.1040 4.3458 4.3458 4.4399 4.4399 4.9719 4.9719 5.7266 5.7266 5.8017 5.8017 6.4987 6.4987 6.6234 6.6234 7.1146 7.1146 7.3564 7.3564 8.2682 8.2682 8.5398 8.5398 8.6342 8.6342 8.6991 8.6991 8.8809 8.8809 9.3370 9.3370 9.6205 9.6205 9.6302 9.6302 9.7595 9.7595 11.1874 11.1874 11.9693 11.9693 12.0386 12.0386 k =-0.0393 0.1285 0.1343 ( 6573 PWs) bands (ev): -18.4559 -18.4559 -18.2409 -18.2409 -14.7035 -14.7035 -14.5828 -14.5828 -9.9167 -9.9167 -4.9873 -4.9873 -4.8369 -4.8369 -4.1512 -4.1512 -3.7059 -3.7059 -2.9745 -2.9745 -2.7235 -2.7235 -2.5387 -2.5387 -2.4491 -2.4491 3.3405 3.3405 3.3613 3.3613 3.4178 3.4178 3.4761 3.4761 3.9453 3.9453 4.0774 4.0774 4.1020 4.1020 4.3501 4.3501 4.4286 4.4286 4.9972 4.9972 5.7234 5.7234 5.7907 5.7907 6.5635 6.5635 6.6646 6.6646 7.1107 7.1107 7.3142 7.3142 8.2634 8.2634 8.5134 8.5134 8.6359 8.6359 8.6895 8.6895 8.8745 8.8745 9.3404 9.3404 9.6057 9.6057 9.6618 9.6618 9.7647 9.7647 11.1278 11.1278 11.9347 11.9347 11.9813 11.9813 k =-0.0327 0.1071 0.1119 ( 6569 PWs) bands (ev): -18.4583 -18.4583 -18.2415 -18.2415 -14.7026 -14.7026 -14.5806 -14.5806 -9.9197 -9.9197 -4.9742 -4.9742 -4.8463 -4.8463 -4.1426 -4.1426 -3.7114 -3.7114 -2.9787 -2.9787 -2.7232 -2.7232 -2.5286 -2.5286 -2.4514 -2.4514 3.3396 3.3396 3.3555 3.3555 3.4154 3.4154 3.4654 3.4654 3.9728 3.9728 4.0793 4.0793 4.0998 4.0998 4.3528 4.3528 4.4195 4.4195 5.0200 5.0200 5.7196 5.7196 5.7814 5.7814 6.6195 6.6195 6.7065 6.7065 7.1071 7.1071 7.2741 7.2741 8.2587 8.2587 8.4868 8.4868 8.6378 8.6378 8.6820 8.6820 8.8691 8.8691 9.3430 9.3430 9.5922 9.5922 9.6925 9.6925 9.7694 9.7694 11.0746 11.0746 11.8998 11.8998 11.9371 11.9371 k =-0.0262 0.0856 0.0896 ( 6569 PWs) bands (ev): -18.4603 -18.4603 -18.2419 -18.2419 -14.7019 -14.7019 -14.5787 -14.5787 -9.9222 -9.9222 -4.9612 -4.9612 -4.8564 -4.8564 -4.1350 -4.1350 -3.7163 -3.7163 -2.9821 -2.9821 -2.7229 -2.7229 -2.5192 -2.5192 -2.4541 -2.4541 3.3391 3.3391 3.3507 3.3507 3.4138 3.4138 3.4558 3.4558 3.9968 3.9968 4.0807 4.0807 4.0974 4.0974 4.3539 4.3539 4.4128 4.4128 5.0398 5.0398 5.7155 5.7155 5.7740 5.7740 6.6656 6.6656 6.7478 6.7478 7.1041 7.1041 7.2366 7.2366 8.2541 8.2541 8.4623 8.4623 8.6390 8.6390 8.6765 8.6765 8.8647 8.8647 9.3450 9.3450 9.5812 9.5812 9.7199 9.7199 9.7737 9.7737 11.0288 11.0288 11.8646 11.8646 11.9068 11.9068 k =-0.0196 0.0642 0.0672 ( 6573 PWs) bands (ev): -18.4619 -18.4619 -18.2423 -18.2423 -14.7013 -14.7013 -14.5772 -14.5772 -9.9242 -9.9242 -4.9485 -4.9485 -4.8669 -4.8669 -4.1288 -4.1288 -3.7204 -3.7204 -2.9849 -2.9849 -2.7227 -2.7227 -2.5109 -2.5109 -2.4572 -2.4572 3.3389 3.3389 3.3469 3.3469 3.4131 3.4131 3.4476 3.4476 4.0171 4.0171 4.0818 4.0818 4.0944 4.0944 4.3536 4.3536 4.4083 4.4083 5.0560 5.0560 5.7115 5.7115 5.7685 5.7685 6.7019 6.7019 6.7856 6.7856 7.1020 7.1020 7.2032 7.2032 8.2498 8.2498 8.4416 8.4416 8.6394 8.6394 8.6730 8.6730 8.8613 8.8613 9.3465 9.3465 9.5726 9.5726 9.7422 9.7422 9.7778 9.7778 10.9915 10.9915 11.8336 11.8336 11.8862 11.8862 k =-0.0131 0.0428 0.0448 ( 6577 PWs) bands (ev): -18.4630 -18.4630 -18.2426 -18.2426 -14.7009 -14.7009 -14.5762 -14.5762 -9.9256 -9.9256 -4.9364 -4.9364 -4.8774 -4.8774 -4.1241 -4.1241 -3.7234 -3.7234 -2.9869 -2.9869 -2.7226 -2.7226 -2.5041 -2.5041 -2.4603 -2.4603 3.3388 3.3388 3.3441 3.3441 3.4131 3.4131 3.4411 3.4411 4.0334 4.0334 4.0823 4.0823 4.0911 4.0911 4.3526 4.3526 4.4057 4.4057 5.0680 5.0680 5.7079 5.7079 5.7648 5.7648 6.7286 6.7286 6.8162 6.8162 7.1007 7.1007 7.1758 7.1758 8.2462 8.2462 8.4259 8.4259 8.6390 8.6390 8.6712 8.6712 8.8588 8.8588 9.3475 9.3475 9.5665 9.5665 9.7578 9.7578 9.7823 9.7823 10.9638 10.9638 11.8104 11.8104 11.8723 11.8723 k =-0.0065 0.0214 0.0224 ( 6589 PWs) bands (ev): -18.4637 -18.4637 -18.2427 -18.2427 -14.7007 -14.7007 -14.5755 -14.5755 -9.9264 -9.9264 -4.9261 -4.9261 -4.8868 -4.8868 -4.1212 -4.1212 -3.7253 -3.7253 -2.9881 -2.9881 -2.7225 -2.7225 -2.4993 -2.4993 -2.4628 -2.4628 3.3388 3.3388 3.3425 3.3425 3.4135 3.4135 3.4367 3.4367 4.0447 4.0447 4.0820 4.0820 4.0883 4.0883 4.3516 4.3516 4.4045 4.4045 5.0754 5.0754 5.7055 5.7055 5.7627 5.7627 6.7452 6.7452 6.8364 6.8364 7.1003 7.1003 7.1571 7.1571 8.2437 8.2437 8.4162 8.4162 8.6386 8.6386 8.6703 8.6703 8.8573 8.8573 9.3481 9.3481 9.5628 9.5628 9.7658 9.7658 9.7868 9.7868 10.9467 10.9467 11.7961 11.7961 11.8642 11.8642 k = 0.0000 0.0000 0.0000 ( 6601 PWs) bands (ev): -18.4639 -18.4639 -18.2428 -18.2428 -14.7006 -14.7006 -14.5753 -14.5753 -9.9267 -9.9267 -4.9212 -4.9212 -4.8914 -4.8914 -4.1203 -4.1203 -3.7260 -3.7260 -2.9885 -2.9885 -2.7225 -2.7225 -2.4975 -2.4975 -2.4638 -2.4638 3.3388 3.3388 3.3419 3.3419 3.4137 3.4137 3.4351 3.4351 4.0490 4.0490 4.0815 4.0815 4.0873 4.0873 4.3512 4.3512 4.4041 4.4041 5.0779 5.0779 5.7047 5.7047 5.7620 5.7620 6.7509 6.7509 6.8435 6.8435 7.1003 7.1003 7.1504 7.1504 8.2429 8.2429 8.4128 8.4128 8.6383 8.6383 8.6701 8.6701 8.8567 8.8567 9.3482 9.3482 9.5616 9.5616 9.7680 9.7680 9.7889 9.7889 10.9409 10.9409 11.7913 11.7913 11.8615 11.8615 k = 0.0000 0.0000 0.0000 ( 6601 PWs) bands (ev): -18.4639 -18.4639 -18.2428 -18.2428 -14.7006 -14.7006 -14.5753 -14.5753 -9.9267 -9.9267 -4.9212 -4.9212 -4.8914 -4.8914 -4.1203 -4.1203 -3.7260 -3.7260 -2.9885 -2.9885 -2.7225 -2.7225 -2.4975 -2.4975 -2.4638 -2.4638 3.3388 3.3388 3.3419 3.3419 3.4137 3.4137 3.4351 3.4351 4.0490 4.0490 4.0815 4.0815 4.0873 4.0873 4.3512 4.3512 4.4041 4.4041 5.0779 5.0779 5.7047 5.7047 5.7620 5.7620 6.7509 6.7509 6.8435 6.8435 7.1003 7.1003 7.1504 7.1504 8.2429 8.2429 8.4128 8.4128 8.6383 8.6383 8.6701 8.6701 8.8567 8.8567 9.3482 9.3482 9.5616 9.5616 9.7680 9.7680 9.7889 9.7889 10.9409 10.9409 11.7913 11.7913 11.8615 11.8615 k = 0.0294 0.0090-0.0000 ( 6581 PWs) bands (ev): -18.4639 -18.4639 -18.2428 -18.2428 -14.7006 -14.7006 -14.5753 -14.5753 -9.9267 -9.9267 -4.9212 -4.9212 -4.8915 -4.8915 -4.1199 -4.1199 -3.7262 -3.7262 -2.9885 -2.9885 -2.7225 -2.7225 -2.5000 -2.5000 -2.4613 -2.4613 3.3387 3.3387 3.3419 3.3419 3.4136 3.4136 3.4321 3.4321 4.0531 4.0531 4.0821 4.0821 4.0879 4.0879 4.3508 4.3508 4.4037 4.4037 5.0780 5.0780 5.7048 5.7048 5.7621 5.7621 6.7508 6.7508 6.8434 6.8434 7.0982 7.0982 7.1504 7.1504 8.2427 8.2427 8.4126 8.4126 8.6384 8.6384 8.6701 8.6701 8.8567 8.8567 9.3482 9.3482 9.5618 9.5618 9.7681 9.7681 9.7889 9.7889 10.9429 10.9429 11.7948 11.7948 11.8601 11.8601 k = 0.0588 0.0180-0.0000 ( 6585 PWs) bands (ev): -18.4639 -18.4639 -18.2428 -18.2428 -14.7006 -14.7006 -14.5753 -14.5753 -9.9267 -9.9267 -4.9211 -4.9211 -4.8917 -4.8917 -4.1190 -4.1190 -3.7270 -3.7270 -2.9885 -2.9885 -2.7225 -2.7225 -2.5060 -2.5060 -2.4553 -2.4553 3.3383 3.3383 3.3419 3.3419 3.4131 3.4131 3.4236 3.4236 4.0649 4.0649 4.0838 4.0838 4.0898 4.0898 4.3495 4.3495 4.4023 4.4023 5.0781 5.0781 5.7052 5.7052 5.7624 5.7624 6.7504 6.7504 6.8432 6.8432 7.0918 7.0918 7.1503 7.1503 8.2422 8.2422 8.4118 8.4118 8.6383 8.6383 8.6700 8.6700 8.8566 8.8566 9.3483 9.3483 9.5624 9.5624 9.7683 9.7683 9.7891 9.7891 10.9489 10.9489 11.8051 11.8051 11.8560 11.8560 k = 0.0882 0.0270-0.0000 ( 6565 PWs) bands (ev): -18.4639 -18.4639 -18.2428 -18.2428 -14.7006 -14.7006 -14.5753 -14.5753 -9.9268 -9.9268 -4.9208 -4.9208 -4.8921 -4.8921 -4.1174 -4.1174 -3.7283 -3.7283 -2.9885 -2.9885 -2.7225 -2.7225 -2.5136 -2.5136 -2.4478 -2.4478 3.3377 3.3377 3.3419 3.3419 3.4103 3.4103 3.4123 3.4123 4.0818 4.0818 4.0885 4.0885 4.0928 4.0928 4.3475 4.3475 4.4000 4.4000 5.0783 5.0783 5.7058 5.7058 5.7629 5.7629 6.7497 6.7497 6.8427 6.8427 7.0814 7.0814 7.1503 7.1503 8.2412 8.2412 8.4105 8.4105 8.6383 8.6383 8.6700 8.6700 8.8564 8.8564 9.3484 9.3484 9.5634 9.5634 9.7686 9.7686 9.7894 9.7894 10.9587 10.9587 11.8220 11.8220 11.8492 11.8492 k = 0.1176 0.0359-0.0000 ( 6573 PWs) bands (ev): -18.4639 -18.4639 -18.2429 -18.2429 -14.7006 -14.7006 -14.5753 -14.5753 -9.9268 -9.9268 -4.9205 -4.9205 -4.8926 -4.8926 -4.1152 -4.1152 -3.7300 -3.7300 -2.9886 -2.9886 -2.7224 -2.7224 -2.5216 -2.5216 -2.4398 -2.4398 3.3369 3.3369 3.3418 3.3418 3.3933 3.3933 3.4112 3.4112 4.0888 4.0888 4.0970 4.0970 4.1097 4.1097 4.3447 4.3447 4.3968 4.3968 5.0786 5.0786 5.7066 5.7066 5.7635 5.7635 6.7488 6.7488 6.8420 6.8420 7.0674 7.0674 7.1503 7.1503 8.2400 8.2400 8.4087 8.4087 8.6382 8.6382 8.6698 8.6698 8.8560 8.8560 9.3486 9.3486 9.5647 9.5647 9.7690 9.7690 9.7898 9.7898 10.9722 10.9722 11.8397 11.8397 11.8454 11.8454 k = 0.1471 0.0449-0.0000 ( 6553 PWs) bands (ev): -18.4638 -18.4638 -18.2429 -18.2429 -14.7005 -14.7005 -14.5753 -14.5753 -9.9269 -9.9269 -4.9202 -4.9202 -4.8933 -4.8933 -4.1125 -4.1125 -3.7321 -3.7321 -2.9886 -2.9886 -2.7224 -2.7224 -2.5298 -2.5298 -2.4317 -2.4317 3.3358 3.3358 3.3418 3.3418 3.3739 3.3739 3.4100 3.4100 4.0936 4.0936 4.1022 4.1022 4.1383 4.1383 4.3412 4.3412 4.3928 4.3928 5.0790 5.0790 5.7076 5.7076 5.7642 5.7642 6.7476 6.7476 6.8413 6.8413 7.0502 7.0502 7.1504 7.1504 8.2386 8.2386 8.4065 8.4065 8.6381 8.6381 8.6696 8.6696 8.8556 8.8556 9.3487 9.3487 9.5662 9.5662 9.7696 9.7696 9.7904 9.7904 10.9892 10.9892 11.8276 11.8276 11.8748 11.8748 k = 0.1765 0.0539-0.0000 ( 6533 PWs) bands (ev): -18.4638 -18.4638 -18.2429 -18.2429 -14.7005 -14.7005 -14.5753 -14.5753 -9.9269 -9.9269 -4.9197 -4.9197 -4.8941 -4.8941 -4.1094 -4.1094 -3.7346 -3.7346 -2.9886 -2.9886 -2.7223 -2.7223 -2.5377 -2.5377 -2.4239 -2.4239 3.3342 3.3342 3.3417 3.3417 3.3536 3.3536 3.4085 3.4085 4.0989 4.0989 4.1084 4.1084 4.1699 4.1699 4.3372 4.3372 4.3880 4.3880 5.0793 5.0793 5.7088 5.7088 5.7651 5.7651 6.7463 6.7463 6.8404 6.8404 7.0303 7.0303 7.1504 7.1504 8.2369 8.2369 8.4041 8.4041 8.6381 8.6381 8.6695 8.6695 8.8552 8.8552 9.3489 9.3489 9.5679 9.5679 9.7702 9.7702 9.7910 9.7910 11.0094 11.0094 11.8131 11.8131 11.9097 11.9097 k = 0.2059 0.0629-0.0000 ( 6545 PWs) bands (ev): -18.4637 -18.4637 -18.2430 -18.2430 -14.7005 -14.7005 -14.5753 -14.5753 -9.9270 -9.9270 -4.9192 -4.9192 -4.8950 -4.8950 -4.1059 -4.1059 -3.7374 -3.7374 -2.9887 -2.9887 -2.7223 -2.7223 -2.5453 -2.5453 -2.4164 -2.4164 3.3283 3.3283 3.3370 3.3370 3.3416 3.3416 3.4069 3.4069 4.1050 4.1050 4.1154 4.1154 4.2029 4.2029 4.3329 4.3329 4.3825 4.3825 5.0797 5.0797 5.7100 5.7100 5.7660 5.7660 6.7447 6.7447 6.8394 6.8394 7.0085 7.0085 7.1504 7.1504 8.2350 8.2350 8.4013 8.4013 8.6379 8.6379 8.6692 8.6692 8.8547 8.8547 9.3491 9.3491 9.5697 9.5697 9.7709 9.7709 9.7916 9.7916 11.0325 11.0325 11.7961 11.7961 11.9497 11.9497 k = 0.2353 0.0719-0.0000 ( 6541 PWs) bands (ev): -18.4637 -18.4637 -18.2430 -18.2430 -14.7004 -14.7004 -14.5753 -14.5753 -9.9271 -9.9271 -4.9185 -4.9185 -4.8960 -4.8960 -4.1022 -4.1022 -3.7404 -3.7404 -2.9887 -2.9887 -2.7222 -2.7222 -2.5524 -2.5524 -2.4093 -2.4093 3.3096 3.3096 3.3335 3.3335 3.3414 3.3414 3.4053 3.4053 4.1117 4.1117 4.1230 4.1230 4.2357 4.2357 4.3290 4.3290 4.3764 4.3764 5.0800 5.0800 5.7114 5.7114 5.7670 5.7670 6.7430 6.7430 6.8383 6.8383 6.9855 6.9855 7.1504 7.1504 8.2331 8.2331 8.3984 8.3984 8.6377 8.6377 8.6690 8.6690 8.8542 8.8542 9.3493 9.3493 9.5716 9.5716 9.7716 9.7716 9.7922 9.7922 11.0580 11.0580 11.7769 11.7769 11.9938 11.9938 k = 0.2647 0.0809-0.0000 ( 6549 PWs) bands (ev): -18.4637 -18.4637 -18.2431 -18.2431 -14.7004 -14.7004 -14.5753 -14.5753 -9.9272 -9.9272 -4.9179 -4.9179 -4.8970 -4.8970 -4.0983 -4.0983 -3.7436 -3.7436 -2.9888 -2.9888 -2.7222 -2.7222 -2.5590 -2.5590 -2.4028 -2.4028 3.2899 3.2899 3.3319 3.3319 3.3413 3.3413 3.4036 3.4036 4.1188 4.1188 4.1312 4.1312 4.2656 4.2656 4.3270 4.3270 4.3699 4.3699 5.0803 5.0803 5.7127 5.7127 5.7680 5.7680 6.7411 6.7411 6.8372 6.8372 6.9620 6.9620 7.1504 7.1504 8.2310 8.2310 8.3954 8.3954 8.6376 8.6376 8.6687 8.6687 8.8538 8.8538 9.3494 9.3494 9.5734 9.5734 9.7723 9.7723 9.7929 9.7929 11.0856 11.0856 11.7559 11.7559 12.0413 12.0413 k = 0.2941 0.0899-0.0000 ( 6561 PWs) bands (ev): -18.4636 -18.4636 -18.2431 -18.2431 -14.7004 -14.7004 -14.5753 -14.5753 -9.9273 -9.9273 -4.9171 -4.9171 -4.8981 -4.8981 -4.0945 -4.0945 -3.7467 -3.7467 -2.9888 -2.9888 -2.7221 -2.7221 -2.5650 -2.5650 -2.3969 -2.3969 3.2715 3.2715 3.3305 3.3305 3.3411 3.3411 3.4020 3.4020 4.1263 4.1263 4.1396 4.1396 4.2862 4.2862 4.3327 4.3327 4.3630 4.3630 5.0805 5.0805 5.7140 5.7140 5.7690 5.7690 6.7392 6.7392 6.8362 6.8362 6.9389 6.9389 7.1504 7.1504 8.2290 8.2290 8.3925 8.3925 8.6374 8.6374 8.6685 8.6685 8.8533 8.8533 9.3495 9.3495 9.5752 9.5752 9.7730 9.7730 9.7935 9.7935 11.1146 11.1146 11.7332 11.7332 12.0909 12.0909 k = 0.3235 0.0988-0.0000 ( 6556 PWs) bands (ev): -18.4636 -18.4636 -18.2432 -18.2432 -14.7004 -14.7004 -14.5753 -14.5753 -9.9274 -9.9274 -4.9163 -4.9163 -4.8993 -4.8993 -4.0908 -4.0908 -3.7498 -3.7498 -2.9889 -2.9889 -2.7220 -2.7220 -2.5704 -2.5704 -2.3916 -2.3916 3.2548 3.2548 3.3293 3.3293 3.3410 3.3410 3.4005 3.4005 4.1339 4.1339 4.1480 4.1480 4.2917 4.2917 4.3511 4.3511 4.3560 4.3560 5.0806 5.0806 5.7153 5.7153 5.7699 5.7699 6.7371 6.7371 6.8352 6.8352 6.9170 6.9170 7.1504 7.1504 8.2272 8.2272 8.3898 8.3898 8.6373 8.6373 8.6683 8.6683 8.8529 8.8529 9.3497 9.3497 9.5768 9.5768 9.7737 9.7737 9.7942 9.7942 11.1443 11.1443 11.7095 11.7095 12.1415 12.1415 k = 0.3529 0.1078-0.0000 ( 6560 PWs) bands (ev): -18.4636 -18.4636 -18.2432 -18.2432 -14.7003 -14.7003 -14.5753 -14.5753 -9.9274 -9.9274 -4.9155 -4.9155 -4.9004 -4.9004 -4.0873 -4.0873 -3.7526 -3.7526 -2.9889 -2.9889 -2.7220 -2.7220 -2.5749 -2.5749 -2.3871 -2.3871 3.2402 3.2402 3.3282 3.3282 3.3408 3.3408 3.3992 3.3992 4.1414 4.1414 4.1562 4.1562 4.2892 4.2892 4.3491 4.3491 4.3744 4.3744 5.0806 5.0806 5.7165 5.7165 5.7708 5.7708 6.7350 6.7350 6.8343 6.8343 6.8971 6.8971 7.1504 7.1504 8.2254 8.2254 8.3873 8.3873 8.6372 8.6372 8.6681 8.6681 8.8525 8.8525 9.3498 9.3498 9.5782 9.5782 9.7743 9.7743 9.7948 9.7948 11.1739 11.1739 11.6854 11.6854 12.1913 12.1913 k = 0.3824 0.1168-0.0000 ( 6552 PWs) bands (ev): -18.4635 -18.4635 -18.2433 -18.2433 -14.7003 -14.7003 -14.5753 -14.5753 -9.9275 -9.9275 -4.9147 -4.9147 -4.9015 -4.9015 -4.0843 -4.0843 -3.7551 -3.7551 -2.9889 -2.9889 -2.7219 -2.7219 -2.5788 -2.5788 -2.3833 -2.3833 3.2280 3.2280 3.3273 3.3273 3.3407 3.3407 3.3980 3.3980 4.1485 4.1485 4.1638 4.1638 4.2845 4.2845 4.3426 4.3426 4.3964 4.3964 5.0806 5.0806 5.7175 5.7175 5.7715 5.7715 6.7329 6.7329 6.8335 6.8335 6.8800 6.8800 7.1504 7.1504 8.2239 8.2239 8.3851 8.3851 8.6371 8.6371 8.6680 8.6680 8.8522 8.8522 9.3500 9.3500 9.5794 9.5794 9.7748 9.7748 9.7953 9.7953 11.2021 11.2021 11.6618 11.6618 12.2381 12.2381 k = 0.4118 0.1258-0.0000 ( 6552 PWs) bands (ev): -18.4635 -18.4635 -18.2433 -18.2433 -14.7003 -14.7003 -14.5753 -14.5753 -9.9275 -9.9275 -4.9139 -4.9139 -4.9025 -4.9025 -4.0817 -4.0817 -3.7572 -3.7572 -2.9890 -2.9890 -2.7219 -2.7219 -2.5818 -2.5818 -2.3804 -2.3804 3.2183 3.2183 3.3265 3.3265 3.3405 3.3405 3.3971 3.3971 4.1547 4.1547 4.1704 4.1704 4.2796 4.2796 4.3369 4.3369 4.4148 4.4148 5.0805 5.0805 5.7184 5.7184 5.7722 5.7722 6.7310 6.7310 6.8328 6.8328 6.8661 6.8661 7.1504 7.1504 8.2227 8.2227 8.3834 8.3834 8.6370 8.6370 8.6678 8.6678 8.8519 8.8519 9.3500 9.3500 9.5804 9.5804 9.7753 9.7753 9.7957 9.7957 11.2276 11.2276 11.6402 11.6402 12.2793 12.2793 k = 0.4412 0.1348-0.0000 ( 6556 PWs) bands (ev): -18.4635 -18.4635 -18.2433 -18.2433 -14.7003 -14.7003 -14.5753 -14.5753 -9.9276 -9.9276 -4.9132 -4.9132 -4.9034 -4.9034 -4.0799 -4.0799 -3.7588 -3.7588 -2.9890 -2.9890 -2.7219 -2.7219 -2.5839 -2.5839 -2.3782 -2.3782 3.2112 3.2112 3.3260 3.3260 3.3405 3.3405 3.3964 3.3964 4.1598 4.1598 4.1756 4.1756 4.2754 4.2754 4.3324 4.3324 4.4285 4.4285 5.0805 5.0805 5.7190 5.7190 5.7726 5.7726 6.7295 6.7295 6.8324 6.8324 6.8560 6.8560 7.1504 7.1504 8.2218 8.2218 8.3821 8.3821 8.6369 8.6369 8.6677 8.6677 8.8517 8.8517 9.3501 9.3501 9.5811 9.5811 9.7756 9.7756 9.7960 9.7960 11.2483 11.2483 11.6222 11.6222 12.3121 12.3121 k = 0.4706 0.1438-0.0000 ( 6556 PWs) bands (ev): -18.4635 -18.4635 -18.2433 -18.2433 -14.7003 -14.7003 -14.5753 -14.5753 -9.9276 -9.9276 -4.9127 -4.9127 -4.9040 -4.9040 -4.0787 -4.0787 -3.7598 -3.7598 -2.9890 -2.9890 -2.7219 -2.7219 -2.5852 -2.5852 -2.3769 -2.3769 3.2070 3.2070 3.3256 3.3256 3.3404 3.3404 3.3960 3.3960 4.1631 4.1631 4.1789 4.1789 4.2725 4.2725 4.3295 4.3295 4.4369 4.4369 5.0804 5.0804 5.7194 5.7194 5.7729 5.7729 6.7284 6.7284 6.8321 6.8321 6.8498 6.8498 7.1504 7.1504 8.2213 8.2213 8.3813 8.3813 8.6369 8.6369 8.6677 8.6677 8.8516 8.8516 9.3501 9.3501 9.5815 9.5815 9.7758 9.7758 9.7962 9.7962 11.2621 11.2621 11.6101 11.6101 12.3333 12.3333 k = 0.5000 0.1528-0.0000 ( 6560 PWs) bands (ev): -18.4635 -18.4635 -18.2433 -18.2433 -14.7003 -14.7003 -14.5753 -14.5753 -9.9276 -9.9276 -4.9126 -4.9126 -4.9042 -4.9042 -4.0783 -4.0783 -3.7601 -3.7601 -2.9890 -2.9890 -2.7219 -2.7219 -2.5857 -2.5857 -2.3765 -2.3765 3.2056 3.2056 3.3255 3.3255 3.3404 3.3404 3.3959 3.3959 4.1642 4.1642 4.1800 4.1800 4.2715 4.2715 4.3285 4.3285 4.4398 4.4398 5.0804 5.0804 5.7195 5.7195 5.7730 5.7730 6.7281 6.7281 6.8320 6.8320 6.8477 6.8477 7.1504 7.1504 8.2211 8.2211 8.3810 8.3810 8.6368 8.6368 8.6676 8.6676 8.8516 8.8516 9.3502 9.3502 9.5817 9.5817 9.7758 9.7758 9.7962 9.7962 11.2670 11.2670 11.6058 11.6058 12.3406 12.3406 k = 0.5000 0.1528-0.0000 ( 6560 PWs) bands (ev): -18.4635 -18.4635 -18.2433 -18.2433 -14.7003 -14.7003 -14.5753 -14.5753 -9.9276 -9.9276 -4.9126 -4.9126 -4.9042 -4.9042 -4.0783 -4.0783 -3.7601 -3.7601 -2.9890 -2.9890 -2.7219 -2.7219 -2.5857 -2.5857 -2.3765 -2.3765 3.2056 3.2056 3.3255 3.3255 3.3404 3.3404 3.3959 3.3959 4.1642 4.1642 4.1800 4.1800 4.2715 4.2715 4.3285 4.3285 4.4398 4.4398 5.0804 5.0804 5.7195 5.7195 5.7730 5.7730 6.7281 6.7281 6.8320 6.8320 6.8477 6.8477 7.1504 7.1504 8.2211 8.2211 8.3810 8.3810 8.6368 8.6368 8.6676 8.6676 8.8516 8.8516 9.3502 9.3502 9.5817 9.5817 9.7758 9.7758 9.7962 9.7962 11.2670 11.2670 11.6058 11.6058 12.3406 12.3406 k = 0.4936 0.1738 0.0220 ( 6560 PWs) bands (ev): -18.4632 -18.4632 -18.2433 -18.2433 -14.7004 -14.7004 -14.5755 -14.5755 -9.9273 -9.9273 -4.9220 -4.9220 -4.8950 -4.8950 -4.0796 -4.0796 -3.7590 -3.7590 -2.9887 -2.9887 -2.7219 -2.7219 -2.5862 -2.5862 -2.3767 -2.3767 3.2062 3.2062 3.3261 3.3261 3.3409 3.3409 3.3962 3.3962 4.1628 4.1628 4.1787 4.1787 4.2713 4.2713 4.3282 4.3282 4.4404 4.4404 5.0786 5.0786 5.7194 5.7194 5.7726 5.7726 6.7239 6.7239 6.8254 6.8254 6.8489 6.8489 7.1565 7.1565 8.2221 8.2221 8.3844 8.3844 8.6370 8.6370 8.6678 8.6678 8.8521 8.8521 9.3499 9.3499 9.5828 9.5828 9.7736 9.7736 9.7942 9.7942 11.2697 11.2697 11.6104 11.6104 12.3434 12.3434 k = 0.4871 0.1949 0.0441 ( 6560 PWs) bands (ev): -18.4626 -18.4626 -18.2431 -18.2431 -14.7006 -14.7006 -14.5761 -14.5761 -9.9265 -9.9265 -4.9349 -4.9349 -4.8830 -4.8830 -4.0835 -4.0835 -3.7559 -3.7559 -2.9879 -2.9879 -2.7219 -2.7219 -2.5878 -2.5878 -2.3774 -2.3774 3.2081 3.2081 3.3276 3.3276 3.3426 3.3426 3.3973 3.3973 4.1576 4.1576 4.1758 4.1758 4.2707 4.2707 4.3275 4.3275 4.4421 4.4421 5.0731 5.0731 5.7190 5.7190 5.7716 5.7716 6.7110 6.7110 6.8066 6.8066 6.8533 6.8533 7.1739 7.1739 8.2251 8.2251 8.3944 8.3944 8.6375 8.6375 8.6686 8.6686 8.8538 8.8538 9.3493 9.3493 9.5862 9.5862 9.7654 9.7654 9.7897 9.7897 11.2779 11.2779 11.6239 11.6239 12.3517 12.3517 k = 0.4807 0.2160 0.0661 ( 6554 PWs) bands (ev): -18.4615 -18.4615 -18.2429 -18.2429 -14.7010 -14.7010 -14.5772 -14.5772 -9.9252 -9.9252 -4.9481 -4.9481 -4.8711 -4.8711 -4.0898 -4.0898 -3.7509 -3.7509 -2.9865 -2.9865 -2.7220 -2.7220 -2.5904 -2.5904 -2.3784 -2.3784 3.2111 3.2111 3.3302 3.3302 3.3454 3.3454 3.3990 3.3990 4.1472 4.1472 4.1732 4.1732 4.2696 4.2696 4.3263 4.3263 4.4448 4.4448 5.0641 5.0641 5.7185 5.7185 5.7701 5.7701 6.6891 6.6891 6.7778 6.7778 6.8619 6.8619 7.2000 7.2000 8.2293 8.2293 8.4107 8.4107 8.6377 8.6377 8.6704 8.6704 8.8566 8.8566 9.3482 9.3482 9.5918 9.5918 9.7492 9.7492 9.7855 9.7855 11.2915 11.2915 11.6458 11.6458 12.3654 12.3654 k = 0.4742 0.2371 0.0882 ( 6550 PWs) bands (ev): -18.4600 -18.4600 -18.2425 -18.2425 -14.7016 -14.7016 -14.5786 -14.5786 -9.9233 -9.9233 -4.9615 -4.9615 -4.8598 -4.8598 -4.0981 -4.0981 -3.7443 -3.7443 -2.9845 -2.9845 -2.7222 -2.7222 -2.5939 -2.5939 -2.3799 -2.3799 3.2151 3.2151 3.3339 3.3339 3.3493 3.3493 3.4014 3.4014 4.1316 4.1316 4.1711 4.1711 4.2678 4.2678 4.3247 4.3247 4.4483 4.4483 5.0514 5.0514 5.7178 5.7178 5.7686 5.7686 6.6582 6.6582 6.7418 6.7418 6.8753 6.8753 7.2321 7.2321 8.2345 8.2345 8.4324 8.4324 8.6373 8.6373 8.6738 8.6738 8.8605 8.8605 9.3465 9.3465 9.5998 9.5998 9.7256 9.7256 9.7818 9.7818 11.3104 11.3104 11.6754 11.6754 12.3845 12.3845 k = 0.4678 0.2582 0.1102 ( 6542 PWs) bands (ev): -18.4580 -18.4580 -18.2420 -18.2420 -14.7023 -14.7023 -14.5804 -14.5804 -9.9208 -9.9208 -4.9748 -4.9748 -4.8490 -4.8490 -4.1080 -4.1080 -3.7365 -3.7365 -2.9820 -2.9820 -2.7225 -2.7225 -2.5984 -2.5984 -2.3818 -2.3818 3.2200 3.2200 3.3387 3.3387 3.3543 3.3543 3.4046 3.4046 4.1116 4.1116 4.1693 4.1693 4.2653 4.2653 4.3227 4.3227 4.4523 4.4523 5.0352 5.0352 5.7173 5.7173 5.7672 5.7672 6.6187 6.6187 6.7013 6.7013 6.8928 6.8928 7.2683 7.2683 8.2401 8.2401 8.4585 8.4585 8.6358 8.6358 8.6791 8.6791 8.8654 8.8654 9.3444 9.3444 9.6101 9.6101 9.6961 9.6961 9.7780 9.7780 11.3347 11.3347 11.7118 11.7118 12.4088 12.4088 k = 0.4614 0.2793 0.1323 ( 6548 PWs) bands (ev): -18.4557 -18.4557 -18.2415 -18.2415 -14.7031 -14.7031 -14.5826 -14.5826 -9.9179 -9.9179 -4.9881 -4.9881 -4.8390 -4.8390 -4.1191 -4.1191 -3.7279 -3.7279 -2.9789 -2.9789 -2.7229 -2.7229 -2.6036 -2.6036 -2.3840 -2.3840 3.2254 3.2254 3.3446 3.3446 3.3604 3.3604 3.4085 3.4085 4.0881 4.0881 4.1674 4.1674 4.2618 4.2618 4.3206 4.3206 4.4567 4.4567 5.0155 5.0155 5.7170 5.7170 5.7663 5.7663 6.5707 6.5707 6.6591 6.6591 6.9136 6.9136 7.3074 7.3074 8.2458 8.2458 8.4872 8.4872 8.6334 8.6334 8.6866 8.6866 8.8713 8.8713 9.3417 9.3417 9.6228 9.6228 9.6623 9.6623 9.7738 9.7738 11.3642 11.3642 11.7541 11.7541 12.4382 12.4382 k = 0.4549 0.3003 0.1543 ( 6550 PWs) bands (ev): -18.4529 -18.4529 -18.2409 -18.2409 -14.7041 -14.7041 -14.5852 -14.5852 -9.9145 -9.9145 -5.0014 -5.0014 -4.8298 -4.8298 -4.1310 -4.1310 -3.7187 -3.7187 -2.9754 -2.9754 -2.7236 -2.7236 -2.6096 -2.6096 -2.3866 -2.3866 3.2312 3.2312 3.3515 3.3515 3.3677 3.3677 3.4133 3.4133 4.0616 4.0616 4.1654 4.1654 4.2573 4.2573 4.3183 4.3183 4.4613 4.4613 4.9926 4.9926 5.7175 5.7175 5.7660 5.7660 6.5147 6.5147 6.6171 6.6171 6.9366 6.9366 7.3483 7.3483 8.2517 8.2517 8.5167 8.5167 8.6307 8.6307 8.6960 8.6960 8.8784 8.8784 9.3383 9.3383 9.6254 9.6254 9.6378 9.6378 9.7691 9.7691 11.3987 11.3987 11.8011 11.8011 12.4725 12.4725 k = 0.4485 0.3214 0.1764 ( 6546 PWs) bands (ev): -18.4497 -18.4497 -18.2402 -18.2402 -14.7052 -14.7052 -14.5881 -14.5881 -9.9106 -9.9106 -5.0144 -5.0144 -4.8216 -4.8216 -4.1433 -4.1433 -3.7093 -3.7093 -2.9713 -2.9713 -2.7245 -2.7245 -2.6161 -2.6161 -2.3895 -2.3895 3.2370 3.2370 3.3592 3.3592 3.3763 3.3763 3.4189 3.4189 4.0328 4.0328 4.1632 4.1632 4.2517 4.2517 4.3159 4.3159 4.4661 4.4661 4.9668 4.9668 5.7189 5.7189 5.7663 5.7663 6.4522 6.4522 6.5759 6.5759 6.9610 6.9610 7.3907 7.3907 8.2577 8.2577 8.5442 8.5442 8.6289 8.6289 8.7072 8.7072 8.8868 8.8868 9.3341 9.3341 9.5869 9.5869 9.6550 9.6550 9.7639 9.7639 11.4381 11.4381 11.8519 11.8519 12.5115 12.5115 k = 0.4420 0.3425 0.1984 ( 6546 PWs) bands (ev): -18.4462 -18.4462 -18.2394 -18.2394 -14.7065 -14.7065 -14.5914 -14.5914 -9.9062 -9.9062 -5.0272 -5.0272 -4.8144 -4.8144 -4.1556 -4.1556 -3.6999 -3.6999 -2.9668 -2.9668 -2.7259 -2.7259 -2.6230 -2.6230 -2.3926 -2.3926 3.2428 3.2428 3.3675 3.3675 3.3860 3.3860 3.4256 3.4256 4.0021 4.0021 4.1609 4.1609 4.2450 4.2450 4.3133 4.3133 4.4709 4.4709 4.9384 4.9384 5.7216 5.7216 5.7672 5.7672 6.3847 6.3847 6.5356 6.5356 6.9858 6.9858 7.4339 7.4339 8.2638 8.2638 8.5656 8.5656 8.6308 8.6308 8.7200 8.7200 8.8968 8.8968 9.3292 9.3292 9.5477 9.5477 9.6742 9.6742 9.7582 9.7582 11.4821 11.4821 11.9056 11.9056 12.5547 12.5547 k = 0.4356 0.3636 0.2205 ( 6550 PWs) bands (ev): -18.4422 -18.4422 -18.2386 -18.2386 -14.7079 -14.7079 -14.5950 -14.5950 -9.9015 -9.9015 -5.0398 -5.0398 -4.8084 -4.8084 -4.1677 -4.1677 -3.6907 -3.6907 -2.9618 -2.9618 -2.7277 -2.7277 -2.6301 -2.6301 -2.3959 -2.3959 3.2481 3.2481 3.3763 3.3763 3.3969 3.3969 3.4333 3.4333 3.9701 3.9701 4.1584 4.1584 4.2370 4.2370 4.3106 4.3106 4.4758 4.4758 4.9078 4.9078 5.7256 5.7256 5.7687 5.7687 6.3137 6.3137 6.4960 6.4960 7.0101 7.0101 7.4779 7.4779 8.2701 8.2701 8.5759 8.5759 8.6402 8.6402 8.7343 8.7343 8.9088 8.9088 9.3235 9.3235 9.5089 9.5089 9.6954 9.6954 9.7522 9.7522 11.5303 11.5303 11.9610 11.9610 12.6017 12.6017 k = 0.4291 0.3847 0.2425 ( 6544 PWs) bands (ev): -18.4379 -18.4379 -18.2378 -18.2378 -14.7093 -14.7093 -14.5989 -14.5989 -9.8963 -9.8963 -5.0520 -5.0520 -4.8038 -4.8038 -4.1792 -4.1792 -3.6820 -3.6820 -2.9564 -2.9564 -2.7302 -2.7302 -2.6372 -2.6372 -2.3994 -2.3994 3.2529 3.2529 3.3853 3.3853 3.4087 3.4087 3.4423 3.4423 3.9374 3.9374 4.1558 4.1558 4.2280 4.2280 4.3075 4.3075 4.4807 4.4807 4.8756 4.8756 5.7312 5.7312 5.7708 5.7708 6.2404 6.2404 6.4570 6.4570 7.0332 7.0332 7.5222 7.5222 8.2765 8.2765 8.5760 8.5760 8.6552 8.6552 8.7500 8.7500 8.9230 8.9230 9.3170 9.3170 9.4714 9.4714 9.7178 9.7178 9.7462 9.7462 11.5823 11.5823 12.0173 12.0173 12.6519 12.6519 k = 0.4227 0.4058 0.2645 ( 6534 PWs) bands (ev): -18.4333 -18.4333 -18.2369 -18.2369 -14.7109 -14.7109 -14.6031 -14.6031 -9.8908 -9.8908 -5.0638 -5.0638 -4.8006 -4.8006 -4.1899 -4.1899 -3.6740 -3.6740 -2.9506 -2.9506 -2.7334 -2.7334 -2.6440 -2.6440 -2.4030 -2.4030 3.2570 3.2570 3.3944 3.3944 3.4209 3.4209 3.4526 3.4526 3.9047 3.9047 4.1530 4.1530 4.2178 4.2178 4.3038 4.3038 4.4858 4.4858 4.8422 4.8422 5.7381 5.7381 5.7735 5.7735 6.1657 6.1657 6.4188 6.4188 7.0543 7.0543 7.5668 7.5668 8.2830 8.2830 8.5705 8.5705 8.6703 8.6703 8.7670 8.7670 8.9396 8.9396 9.3096 9.3096 9.4363 9.4363 9.7338 9.7338 9.7479 9.7479 11.6373 11.6373 12.0734 12.0734 12.7035 12.7035 k = 0.4163 0.4268 0.2866 ( 6534 PWs) bands (ev): -18.4284 -18.4284 -18.2361 -18.2361 -14.7125 -14.7125 -14.6076 -14.6076 -9.8849 -9.8849 -5.0752 -5.0752 -4.7990 -4.7990 -4.1994 -4.1994 -3.6667 -3.6667 -2.9445 -2.9445 -2.7375 -2.7375 -2.6504 -2.6504 -2.4067 -2.4067 3.2602 3.2602 3.4037 3.4037 3.4330 3.4330 3.4641 3.4641 3.8728 3.8728 4.1502 4.1502 4.2067 4.2067 4.2994 4.2994 4.4909 4.4909 4.8083 4.8083 5.7460 5.7460 5.7772 5.7772 6.0905 6.0905 6.3812 6.3812 7.0728 7.0728 7.6116 7.6116 8.2897 8.2897 8.5625 8.5625 8.6824 8.6824 8.7853 8.7853 8.9584 8.9584 9.3013 9.3013 9.4041 9.4041 9.7292 9.7292 9.7712 9.7712 11.6946 11.6946 12.1283 12.1283 12.7521 12.7521 k = 0.4098 0.4479 0.3086 ( 6530 PWs) bands (ev): -18.4231 -18.4231 -18.2352 -18.2352 -14.7142 -14.7142 -14.6123 -14.6123 -9.8788 -9.8788 -5.0861 -5.0861 -4.7991 -4.7991 -4.2076 -4.2076 -3.6603 -3.6603 -2.9381 -2.9381 -2.7425 -2.7425 -2.6562 -2.6562 -2.4104 -2.4104 3.2623 3.2623 3.4130 3.4130 3.4449 3.4449 3.4765 3.4765 3.8424 3.8424 4.1472 4.1472 4.1947 4.1947 4.2939 4.2939 4.4963 4.4963 4.7745 4.7745 5.7542 5.7542 5.7825 5.7825 6.0154 6.0154 6.3444 6.3444 7.0881 7.0881 7.6564 7.6564 8.2964 8.2964 8.5529 8.5529 8.6905 8.6905 8.8047 8.8047 8.9791 8.9791 9.2921 9.2921 9.3755 9.3755 9.7219 9.7219 9.7979 9.7979 11.7530 11.7530 12.1809 12.1809 12.7859 12.7859 k = 0.4034 0.4690 0.3307 ( 6530 PWs) bands (ev): -18.4176 -18.4176 -18.2344 -18.2344 -14.7160 -14.7160 -14.6172 -14.6172 -9.8724 -9.8724 -5.0965 -5.0965 -4.8008 -4.8008 -4.2143 -4.2143 -3.6549 -3.6549 -2.9314 -2.9314 -2.7485 -2.7485 -2.6612 -2.6612 -2.4140 -2.4140 3.2630 3.2630 3.4225 3.4225 3.4564 3.4564 3.4890 3.4890 3.8146 3.8146 4.1442 4.1442 4.1818 4.1818 4.2870 4.2870 4.5019 4.5019 4.7415 4.7415 5.7613 5.7613 5.7902 5.7902 5.9413 5.9413 6.3085 6.3085 7.0996 7.0996 7.7011 7.7011 8.3031 8.3031 8.5424 8.5424 8.6946 8.6946 8.8253 8.8253 9.0010 9.0010 9.2820 9.2820 9.3509 9.3509 9.7140 9.7140 9.8256 9.8256 11.8111 11.8111 12.2300 12.2300 12.8007 12.8007 k = 0.3969 0.4901 0.3527 ( 6534 PWs) bands (ev): -18.4118 -18.4118 -18.2337 -18.2337 -14.7178 -14.7178 -14.6223 -14.6223 -9.8658 -9.8658 -5.1063 -5.1063 -4.8044 -4.8044 -4.2194 -4.2194 -3.6506 -3.6506 -2.9246 -2.9246 -2.7552 -2.7552 -2.6655 -2.6655 -2.4176 -2.4176 3.2622 3.2622 3.4320 3.4320 3.4675 3.4675 3.5008 3.5008 3.7905 3.7905 4.1411 4.1411 4.1681 4.1681 4.2783 4.2783 4.5079 4.5079 4.7099 4.7099 5.7660 5.7660 5.8010 5.8010 5.8694 5.8694 6.2734 6.2734 7.1071 7.1071 7.7455 7.7455 8.3098 8.3098 8.5312 8.5312 8.6951 8.6951 8.8469 8.8469 9.0234 9.0234 9.2713 9.2713 9.3304 9.3304 9.7059 9.7059 9.8539 9.8539 11.8673 11.8673 12.2744 12.2744 12.8100 12.8100 k = 0.3905 0.5112 0.3748 ( 6532 PWs) bands (ev): -18.4058 -18.4058 -18.2330 -18.2330 -14.7196 -14.7196 -14.6276 -14.6276 -9.8590 -9.8590 -5.1155 -5.1155 -4.8096 -4.8096 -4.2228 -4.2228 -3.6476 -3.6476 -2.9176 -2.9176 -2.7626 -2.7626 -2.6691 -2.6691 -2.4210 -2.4210 3.2594 3.2594 3.4414 3.4414 3.4783 3.4783 3.5111 3.5111 3.7710 3.7710 4.1379 4.1379 4.1538 4.1538 4.2675 4.2675 4.5143 4.5143 4.6804 4.6804 5.7621 5.7621 5.8036 5.8036 5.8173 5.8173 6.2393 6.2393 7.1101 7.1101 7.7898 7.7898 8.3166 8.3166 8.5196 8.5196 8.6924 8.6924 8.8694 8.8694 9.0459 9.0459 9.2603 9.2603 9.3142 9.3142 9.6976 9.6976 9.8824 9.8824 11.9196 11.9196 12.3132 12.3132 12.8224 12.8224 k = 0.3841 0.5323 0.3968 ( 6537 PWs) bands (ev): -18.3996 -18.3996 -18.2324 -18.2324 -14.7214 -14.7214 -14.6330 -14.6330 -9.8521 -9.8521 -5.1241 -5.1241 -4.8166 -4.8166 -4.2244 -4.2244 -3.6458 -3.6458 -2.9106 -2.9106 -2.7703 -2.7703 -2.6721 -2.6721 -2.4243 -2.4243 3.2544 3.2544 3.4508 3.4508 3.4887 3.4887 3.5194 3.5194 3.7571 3.7571 4.1340 4.1340 4.1397 4.1397 4.2542 4.2542 4.5212 4.5212 4.6536 4.6536 5.7158 5.7158 5.7848 5.7848 5.8322 5.8322 6.2063 6.2063 7.1087 7.1087 7.8337 7.8337 8.3232 8.3232 8.5077 8.5077 8.6870 8.6870 8.8927 8.8927 9.0679 9.0679 9.2490 9.2490 9.3020 9.3020 9.6892 9.6892 9.9109 9.9109 11.9657 11.9657 12.3454 12.3454 12.8418 12.8418 k = 0.3776 0.5533 0.4189 ( 6533 PWs) bands (ev): -18.3932 -18.3932 -18.2319 -18.2319 -14.7232 -14.7232 -14.6385 -14.6385 -9.8450 -9.8450 -5.1319 -5.1319 -4.8251 -4.8251 -4.2243 -4.2243 -3.6453 -3.6453 -2.9036 -2.9036 -2.7783 -2.7783 -2.6747 -2.6747 -2.4273 -2.4273 3.2467 3.2467 3.4599 3.4599 3.4984 3.4984 3.5258 3.5258 3.7492 3.7492 4.1221 4.1221 4.1329 4.1329 4.2383 4.2383 4.5286 4.5286 4.6302 4.6302 5.6505 5.6505 5.7851 5.7851 5.8504 5.8504 6.1744 6.1744 7.1026 7.1026 7.8772 7.8772 8.3297 8.3297 8.4956 8.4956 8.6794 8.6794 8.9167 8.9167 9.0890 9.0890 9.2375 9.2375 9.2939 9.2939 9.6807 9.6807 9.9391 9.9391 12.0036 12.0036 12.3706 12.3706 12.8705 12.8705 k = 0.3712 0.5744 0.4409 ( 6539 PWs) bands (ev): -18.3866 -18.3866 -18.2315 -18.2315 -14.7250 -14.7250 -14.6441 -14.6441 -9.8380 -9.8380 -5.1391 -5.1391 -4.8351 -4.8351 -4.2225 -4.2225 -3.6462 -3.6462 -2.8967 -2.8967 -2.7861 -2.7861 -2.6770 -2.6770 -2.4301 -2.4301 3.2362 3.2362 3.4686 3.4686 3.5071 3.5071 3.5313 3.5313 3.7467 3.7467 4.1062 4.1062 4.1296 4.1296 4.2197 4.2197 4.5362 4.5362 4.6108 4.6108 5.5853 5.5853 5.7872 5.7872 5.8702 5.8702 6.1437 6.1437 7.0922 7.0922 7.9201 7.9201 8.3360 8.3360 8.4834 8.4834 8.6700 8.6700 8.9412 8.9412 9.1090 9.1090 9.2256 9.2256 9.2900 9.2900 9.6723 9.6723 9.9667 9.9667 12.0320 12.0320 12.3885 12.3885 12.9100 12.9100 k = 0.3647 0.5955 0.4630 ( 6549 PWs) bands (ev): -18.3799 -18.3799 -18.2313 -18.2313 -14.7267 -14.7267 -14.6497 -14.6497 -9.8310 -9.8310 -5.1454 -5.1454 -4.8464 -4.8464 -4.2191 -4.2191 -3.6485 -3.6485 -2.8901 -2.8901 -2.7936 -2.7936 -2.6790 -2.6790 -2.4326 -2.4326 3.2229 3.2229 3.4764 3.4764 3.5150 3.5150 3.5373 3.5373 3.7486 3.7486 4.0896 4.0896 4.1266 4.1266 4.1985 4.1985 4.5432 4.5432 4.5964 4.5964 5.5222 5.5222 5.7895 5.7895 5.8914 5.8914 6.1143 6.1143 7.0774 7.0774 7.9625 7.9625 8.3421 8.3421 8.4713 8.4713 8.6591 8.6591 8.9660 8.9660 9.1276 9.1276 9.2132 9.2132 9.2903 9.2903 9.6639 9.6639 9.9937 9.9937 12.0504 12.0504 12.3993 12.3993 12.9603 12.9603 k = 0.3583 0.6166 0.4850 ( 6543 PWs) bands (ev): -18.3731 -18.3731 -18.2312 -18.2312 -14.7284 -14.7284 -14.6554 -14.6554 -9.8240 -9.8240 -5.1510 -5.1510 -4.8588 -4.8588 -4.2142 -4.2142 -3.6522 -3.6522 -2.8837 -2.8837 -2.8006 -2.8006 -2.6807 -2.6807 -2.4348 -2.4348 3.2070 3.2070 3.4831 3.4831 3.5224 3.5224 3.5443 3.5443 3.7536 3.7536 4.0725 4.0725 4.1237 4.1237 4.1751 4.1751 4.5475 4.5475 4.5892 4.5892 5.4615 5.4615 5.7918 5.7918 5.9139 5.9139 6.0862 6.0862 7.0587 7.0587 8.0042 8.0042 8.3479 8.3479 8.4594 8.4594 8.6470 8.6470 8.9911 8.9911 9.1444 9.1444 9.2005 9.2005 9.2946 9.2946 9.6556 9.6556 10.0198 10.0198 12.0592 12.0592 12.4036 12.4036 13.0206 13.0206 k = 0.3518 0.6377 0.5070 ( 6559 PWs) bands (ev): -18.3662 -18.3662 -18.2313 -18.2313 -14.7300 -14.7300 -14.6610 -14.6610 -9.8171 -9.8171 -5.1558 -5.1558 -4.8722 -4.8722 -4.2080 -4.2080 -3.6572 -3.6572 -2.8779 -2.8779 -2.8069 -2.8069 -2.6823 -2.6823 -2.4367 -2.4367 3.1890 3.1890 3.4888 3.4888 3.5302 3.5302 3.5522 3.5522 3.7603 3.7603 4.0550 4.0550 4.1207 4.1207 4.1500 4.1500 4.5465 4.5465 4.5914 4.5914 5.4036 5.4036 5.7940 5.7940 5.9374 5.9374 6.0596 6.0596 7.0364 7.0364 8.0452 8.0452 8.3534 8.3534 8.4477 8.4477 8.6339 8.6339 9.0160 9.0160 9.1575 9.1575 9.1896 9.1896 9.3023 9.3023 9.6475 9.6475 10.0450 10.0450 12.0597 12.0597 12.4022 12.4022 13.0887 13.0887 k = 0.3454 0.6588 0.5291 ( 6549 PWs) bands (ev): -18.3593 -18.3593 -18.2316 -18.2316 -14.7314 -14.7314 -14.6666 -14.6666 -9.8103 -9.8103 -5.1597 -5.1597 -4.8863 -4.8863 -4.2006 -4.2006 -3.6636 -3.6636 -2.8726 -2.8726 -2.8123 -2.8123 -2.6837 -2.6837 -2.4383 -2.4383 3.1694 3.1694 3.4938 3.4938 3.5390 3.5390 3.5606 3.5606 3.7678 3.7678 4.0372 4.0372 4.1154 4.1154 4.1259 4.1259 4.5422 4.5422 4.6010 4.6010 5.3486 5.3486 5.7959 5.7959 5.9617 5.9617 6.0348 6.0348 7.0108 7.0108 8.0854 8.0854 8.3585 8.3585 8.4367 8.4367 8.6200 8.6200 9.0403 9.0403 9.1596 9.1596 9.1881 9.1881 9.3129 9.3129 9.6396 9.6396 10.0690 10.0690 12.0535 12.0535 12.3962 12.3962 13.1614 13.1614 k = 0.3390 0.6798 0.5511 ( 6541 PWs) bands (ev): -18.3523 -18.3523 -18.2321 -18.2321 -14.7327 -14.7327 -14.6721 -14.6721 -9.8037 -9.8037 -5.1627 -5.1627 -4.9010 -4.9010 -4.1921 -4.1921 -3.6711 -3.6711 -2.8681 -2.8681 -2.8168 -2.8168 -2.6849 -2.6849 -2.4397 -2.4397 3.1488 3.1488 3.4986 3.4986 3.5484 3.5484 3.5692 3.5692 3.7754 3.7754 4.0190 4.0190 4.0935 4.0935 4.1178 4.1178 4.5374 4.5374 4.6147 4.6147 5.2965 5.2965 5.7977 5.7977 5.9849 5.9849 6.0135 6.0135 6.9825 6.9825 8.1245 8.1245 8.3630 8.3630 8.4262 8.4262 8.6057 8.6057 9.0632 9.0632 9.1500 9.1500 9.1976 9.1976 9.3260 9.3260 9.6320 9.6320 10.0919 10.0919 12.0421 12.0421 12.3866 12.3866 13.2340 13.2340 k = 0.3325 0.7009 0.5732 ( 6539 PWs) bands (ev): -18.3453 -18.3453 -18.2329 -18.2329 -14.7339 -14.7339 -14.6775 -14.6775 -9.7974 -9.7974 -5.1649 -5.1649 -4.9161 -4.9161 -4.1827 -4.1827 -3.6798 -3.6798 -2.8646 -2.8646 -2.8202 -2.8202 -2.6859 -2.6859 -2.4408 -2.4408 3.1277 3.1277 3.5035 3.5035 3.5580 3.5580 3.5782 3.5782 3.7827 3.7827 4.0006 4.0006 4.0662 4.0662 4.1151 4.1151 4.5332 4.5332 4.6308 4.6308 5.2473 5.2473 5.7993 5.7993 5.9841 5.9841 6.0186 6.0186 6.9519 6.9519 8.1625 8.1625 8.3668 8.3668 8.4169 8.4169 8.5911 8.5911 9.0822 9.0822 9.1398 9.1398 9.2092 9.2092 9.3409 9.3409 9.6247 9.6247 10.1135 10.1135 12.0269 12.0269 12.3745 12.3745 13.2800 13.2800 k = 0.3261 0.7220 0.5952 ( 6553 PWs) bands (ev): -18.3384 -18.3384 -18.2339 -18.2339 -14.7349 -14.7349 -14.6828 -14.6828 -9.7914 -9.7914 -5.1662 -5.1662 -4.9315 -4.9315 -4.1725 -4.1725 -3.6896 -3.6896 -2.8620 -2.8620 -2.8224 -2.8224 -2.6866 -2.6866 -2.4417 -2.4417 3.1068 3.1068 3.5088 3.5088 3.5670 3.5670 3.5879 3.5879 3.7894 3.7894 3.9818 3.9818 4.0386 4.0386 4.1129 4.1129 4.5298 4.5298 4.6485 4.6485 5.2011 5.2011 5.8006 5.8006 5.9652 5.9652 6.0443 6.0443 6.9194 6.9194 8.1991 8.1991 8.3694 8.3694 8.4090 8.4090 8.5765 8.5765 9.0901 9.0901 9.1387 9.1387 9.2203 9.2203 9.3571 9.3571 9.6177 9.6177 10.1338 10.1338 12.0093 12.0093 12.3610 12.3610 13.2445 13.2445 k = 0.3196 0.7431 0.6173 ( 6545 PWs) bands (ev): -18.3315 -18.3315 -18.2352 -18.2352 -14.7357 -14.7357 -14.6880 -14.6880 -9.7856 -9.7856 -5.1665 -5.1665 -4.9469 -4.9469 -4.1617 -4.1617 -3.7002 -3.7002 -2.8603 -2.8603 -2.8237 -2.8237 -2.6870 -2.6870 -2.4424 -2.4424 3.0864 3.0864 3.5143 3.5143 3.5750 3.5750 3.5986 3.5986 3.7955 3.7955 3.9628 3.9628 4.0115 4.0115 4.1110 4.1110 4.5272 4.5272 4.6676 4.6676 5.1579 5.1579 5.8017 5.8017 5.9466 5.9466 6.0720 6.0720 6.8854 6.8854 8.2342 8.2342 8.3703 8.3703 8.4035 8.4035 8.5620 8.5620 9.0827 9.0827 9.1513 9.1513 9.2307 9.2307 9.3742 9.3742 9.6112 9.6112 10.1527 10.1527 11.9902 11.9902 12.3468 12.3468 13.2069 13.2069 k = 0.3132 0.7642 0.6393 ( 6543 PWs) bands (ev): -18.3247 -18.3247 -18.2367 -18.2367 -14.7363 -14.7363 -14.6929 -14.6929 -9.7803 -9.7803 -5.1660 -5.1660 -4.9623 -4.9623 -4.1504 -4.1504 -3.7114 -3.7114 -2.8594 -2.8594 -2.8242 -2.8242 -2.6870 -2.6870 -2.4430 -2.4430 3.0669 3.0669 3.5202 3.5202 3.5814 3.5814 3.6104 3.6104 3.8011 3.8011 3.9437 3.9437 3.9854 3.9854 4.1094 4.1094 4.5252 4.5252 4.6875 4.6875 5.1177 5.1177 5.8024 5.8024 5.9294 5.9294 6.1006 6.1006 6.8503 6.8503 8.2671 8.2671 8.3689 8.3689 8.4013 8.4013 8.5480 8.5480 9.0683 9.0683 9.1692 9.1692 9.2400 9.2400 9.3916 9.3916 9.6050 9.6050 10.1703 10.1703 11.9704 11.9704 12.3328 12.3328 13.1700 13.1700 k = 0.3068 0.7853 0.6614 ( 6535 PWs) bands (ev): -18.3181 -18.3181 -18.2385 -18.2385 -14.7367 -14.7367 -14.6977 -14.6977 -9.7753 -9.7753 -5.1646 -5.1646 -4.9775 -4.9775 -4.1389 -4.1389 -3.7232 -3.7232 -2.8590 -2.8590 -2.8243 -2.8243 -2.6868 -2.6868 -2.4434 -2.4434 3.0486 3.0486 3.5263 3.5263 3.5865 3.5865 3.6231 3.6231 3.8063 3.8063 3.9244 3.9244 3.9607 3.9607 4.1079 4.1079 4.5237 4.5237 4.7077 4.7077 5.0806 5.0806 5.8030 5.8030 5.9139 5.9139 6.1299 6.1299 6.8147 6.8147 8.2971 8.2971 8.3660 8.3660 8.4022 8.4022 8.5346 8.5346 9.0519 9.0519 9.1877 9.1877 9.2484 9.2484 9.4088 9.4088 9.5993 9.5993 10.1864 10.1864 11.9506 11.9506 12.3196 12.3196 13.1341 13.1341 k = 0.3003 0.8063 0.6834 ( 6531 PWs) bands (ev): -18.3115 -18.3115 -18.2407 -18.2407 -14.7369 -14.7369 -14.7023 -14.7023 -9.7708 -9.7708 -5.1623 -5.1623 -4.9924 -4.9924 -4.1273 -4.1273 -3.7353 -3.7353 -2.8589 -2.8589 -2.8242 -2.8242 -2.6861 -2.6861 -2.4437 -2.4437 3.0317 3.0317 3.5325 3.5325 3.5904 3.5904 3.6365 3.6365 3.8110 3.8110 3.9053 3.9053 3.9374 3.9374 4.1067 4.1067 4.5226 4.5226 4.7278 4.7278 5.0466 5.0466 5.8032 5.8032 5.9000 5.9000 6.1595 6.1595 6.7787 6.7787 8.3221 8.3221 8.3638 8.3638 8.4058 8.4058 8.5222 8.5222 9.0349 9.0349 9.2053 9.2053 9.2558 9.2558 9.4255 9.4255 9.5940 9.5940 10.2011 10.2011 11.9313 11.9313 12.3079 12.3079 13.0997 13.0997 k = 0.2939 0.8274 0.7055 ( 6529 PWs) bands (ev): -18.3051 -18.3051 -18.2431 -18.2431 -14.7368 -14.7368 -14.7066 -14.7066 -9.7667 -9.7667 -5.1592 -5.1592 -5.0068 -5.0068 -4.1158 -4.1158 -3.7473 -3.7473 -2.8588 -2.8588 -2.8242 -2.8242 -2.6851 -2.6851 -2.4440 -2.4440 3.0163 3.0163 3.5387 3.5387 3.5930 3.5930 3.6505 3.6505 3.8150 3.8150 3.8869 3.8869 3.9160 3.9160 4.1057 4.1057 4.5217 4.5217 4.7469 4.7469 5.0160 5.0160 5.8032 5.8032 5.8880 5.8880 6.1894 6.1894 6.7430 6.7430 8.3371 8.3371 8.3669 8.3669 8.4120 8.4120 8.5111 8.5111 9.0180 9.0180 9.2213 9.2213 9.2622 9.2622 9.4412 9.4412 9.5893 9.5893 10.2142 10.2142 11.9131 11.9131 12.2981 12.2981 13.0671 13.0671 k = 0.2874 0.8485 0.7275 ( 6537 PWs) bands (ev): -18.2989 -18.2989 -18.2458 -18.2458 -14.7365 -14.7365 -14.7107 -14.7107 -9.7631 -9.7631 -5.1553 -5.1553 -5.0206 -5.0206 -4.1047 -4.1047 -3.7591 -3.7591 -2.8587 -2.8587 -2.8243 -2.8243 -2.6839 -2.6839 -2.4443 -2.4443 3.0027 3.0027 3.5449 3.5449 3.5946 3.5946 3.6649 3.6649 3.8172 3.8172 3.8704 3.8704 3.8968 3.8968 4.1050 4.1050 4.5210 4.5210 4.7643 4.7643 4.9894 4.9894 5.8029 5.8029 5.8777 5.8777 6.2192 6.2192 6.7079 6.7079 8.3399 8.3399 8.3765 8.3765 8.4212 8.4212 8.5020 8.5020 9.0017 9.0017 9.2357 9.2357 9.2676 9.2676 9.4555 9.4555 9.5851 9.5851 10.2258 10.2258 11.8962 11.8962 12.2906 12.2906 13.0364 13.0364 k = 0.2810 0.8696 0.7495 ( 6543 PWs) bands (ev): -18.2929 -18.2929 -18.2488 -18.2488 -14.7358 -14.7358 -14.7145 -14.7145 -9.7601 -9.7601 -5.1508 -5.1508 -5.0337 -5.0337 -4.0944 -4.0944 -3.7702 -3.7702 -2.8587 -2.8587 -2.8246 -2.8246 -2.6824 -2.6824 -2.4446 -2.4446 2.9910 2.9910 3.5511 3.5511 3.5950 3.5950 3.6796 3.6796 3.8153 3.8153 3.8567 3.8567 3.8816 3.8816 4.1045 4.1045 4.5204 4.5204 4.7784 4.7784 4.9677 4.9677 5.8023 5.8023 5.8693 5.8693 6.2486 6.2486 6.6740 6.6740 8.3380 8.3380 8.3854 8.3854 8.4317 8.4317 8.4960 8.4960 8.9866 8.9866 9.2479 9.2479 9.2721 9.2721 9.4682 9.4682 9.5814 9.5814 10.2359 10.2359 11.8811 11.8811 12.2858 12.2858 13.0080 13.0080 k = 0.2746 0.8907 0.7716 ( 6539 PWs) bands (ev): -18.2871 -18.2871 -18.2522 -18.2522 -14.7349 -14.7349 -14.7180 -14.7180 -9.7575 -9.7575 -5.1457 -5.1457 -5.0458 -5.0458 -4.0851 -4.0851 -3.7803 -3.7803 -2.8586 -2.8586 -2.8249 -2.8249 -2.6807 -2.6807 -2.4449 -2.4449 2.9812 2.9812 3.5570 3.5570 3.5945 3.5945 3.6945 3.6945 3.8071 3.8071 3.8441 3.8441 3.8746 3.8746 4.1042 4.1042 4.5198 4.5198 4.7876 4.7876 4.9524 4.9524 5.8015 5.8015 5.8626 5.8626 6.2770 6.2770 6.6420 6.6420 8.3354 8.3354 8.3917 8.3917 8.4393 8.4393 8.4946 8.4946 8.9731 8.9731 9.2582 9.2582 9.2756 9.2756 9.4789 9.4789 9.5783 9.5783 10.2444 10.2444 11.8679 11.8679 12.2840 12.2840 12.9820 12.9820 k = 0.2681 0.9118 0.7936 ( 6541 PWs) bands (ev): -18.2816 -18.2816 -18.2558 -18.2558 -14.7337 -14.7337 -14.7212 -14.7212 -9.7556 -9.7556 -5.1403 -5.1403 -5.0565 -5.0565 -4.0772 -4.0772 -3.7888 -3.7888 -2.8587 -2.8587 -2.8251 -2.8251 -2.6789 -2.6789 -2.4454 -2.4454 2.9734 2.9734 3.5628 3.5628 3.5929 3.5929 3.7095 3.7095 3.7946 3.7946 3.8293 3.8293 3.8774 3.8774 4.1043 4.1043 4.5192 4.5192 4.7901 4.7901 4.9447 4.9447 5.8004 5.8004 5.8579 5.8579 6.3034 6.3034 6.6131 6.6131 8.3332 8.3332 8.3965 8.3965 8.4414 8.4414 8.4983 8.4983 8.9618 8.9618 9.2661 9.2661 9.2781 9.2781 9.4875 9.4875 9.5757 9.5757 10.2513 10.2513 11.8569 11.8569 12.2855 12.2855 12.9584 12.9584 k = 0.2617 0.9329 0.8157 ( 6541 PWs) bands (ev): -18.2763 -18.2763 -18.2598 -18.2598 -14.7322 -14.7322 -14.7242 -14.7242 -9.7542 -9.7542 -5.1352 -5.1352 -5.0654 -5.0654 -4.0713 -4.0713 -3.7955 -3.7955 -2.8589 -2.8589 -2.8252 -2.8252 -2.6770 -2.6770 -2.4459 -2.4459 2.9678 2.9678 3.5681 3.5681 3.5904 3.5904 3.7243 3.7243 3.7809 3.7809 3.8138 3.8138 3.8862 3.8862 4.1045 4.1045 4.5185 4.5185 4.7859 4.7859 4.9447 4.9447 5.7992 5.7992 5.8550 5.8550 6.3261 6.3261 6.5889 6.5889 8.3316 8.3316 8.4006 8.4006 8.4394 8.4394 8.5040 8.5040 8.9534 8.9534 9.2717 9.2717 9.2797 9.2797 9.4938 9.4938 9.5738 9.5738 10.2565 10.2565 11.8484 11.8484 12.2904 12.2904 12.9374 12.9374 k = 0.2617 0.9329 0.8157 ( 6541 PWs) bands (ev): -18.2763 -18.2763 -18.2598 -18.2598 -14.7322 -14.7322 -14.7242 -14.7242 -9.7542 -9.7542 -5.1352 -5.1352 -5.0654 -5.0654 -4.0713 -4.0713 -3.7955 -3.7955 -2.8589 -2.8589 -2.8252 -2.8252 -2.6770 -2.6770 -2.4459 -2.4459 2.9678 2.9678 3.5681 3.5681 3.5904 3.5904 3.7243 3.7243 3.7809 3.7809 3.8138 3.8138 3.8862 3.8862 4.1045 4.1045 4.5185 4.5185 4.7859 4.7859 4.9447 4.9447 5.7992 5.7992 5.8550 5.8550 6.3261 6.3261 6.5889 6.5889 8.3316 8.3316 8.4006 8.4006 8.4394 8.4394 8.5040 8.5040 8.9534 8.9534 9.2717 9.2717 9.2797 9.2797 9.4938 9.4938 9.5738 9.5738 10.2565 10.2565 11.8484 11.8484 12.2904 12.2904 12.9374 12.9374 k = 0.2326 0.9286 0.8201 ( 6540 PWs) bands (ev): -18.2752 -18.2752 -18.2606 -18.2606 -14.7318 -14.7318 -14.7247 -14.7247 -9.7540 -9.7540 -5.1342 -5.1342 -5.0670 -5.0670 -4.0703 -4.0703 -3.7966 -3.7966 -2.8591 -2.8591 -2.8252 -2.8252 -2.6766 -2.6766 -2.4460 -2.4460 2.9669 2.9669 3.5692 3.5692 3.5897 3.5897 3.7273 3.7273 3.7780 3.7780 3.8103 3.8103 3.8891 3.8891 4.1047 4.1047 4.5182 4.5182 4.7841 4.7841 4.9457 4.9457 5.7988 5.7988 5.8546 5.8546 6.3301 6.3301 6.5848 6.5848 8.3314 8.3314 8.4015 8.4015 8.4386 8.4386 8.5050 8.5050 8.9521 8.9521 9.2726 9.2726 9.2799 9.2799 9.4947 9.4947 9.5735 9.5735 10.2574 10.2574 11.8464 11.8464 12.2936 12.2936 12.9306 12.9306 k = 0.2035 0.9244 0.8246 ( 6539 PWs) bands (ev): -18.2742 -18.2742 -18.2615 -18.2615 -14.7315 -14.7315 -14.7253 -14.7253 -9.7538 -9.7538 -5.1333 -5.1333 -5.0684 -5.0684 -4.0694 -4.0694 -3.7976 -3.7976 -2.8593 -2.8593 -2.8250 -2.8250 -2.6762 -2.6762 -2.4462 -2.4462 2.9661 2.9661 3.5703 3.5703 3.5889 3.5889 3.7303 3.7303 3.7748 3.7748 3.8063 3.8063 3.8929 3.8929 4.1048 4.1048 4.5176 4.5176 4.7821 4.7821 4.9472 4.9472 5.7985 5.7985 5.8544 5.8544 6.3340 6.3340 6.5809 6.5809 8.3312 8.3312 8.4024 8.4024 8.4377 8.4377 8.5060 8.5060 8.9510 8.9510 9.2733 9.2733 9.2801 9.2801 9.4956 9.4956 9.5731 9.5731 10.2582 10.2582 11.8433 11.8433 12.3004 12.3004 12.9189 12.9189 k = 0.1744 0.9201 0.8290 ( 6537 PWs) bands (ev): -18.2732 -18.2732 -18.2623 -18.2623 -14.7311 -14.7311 -14.7258 -14.7258 -9.7537 -9.7537 -5.1324 -5.1324 -5.0697 -5.0697 -4.0686 -4.0686 -3.7986 -3.7986 -2.8596 -2.8596 -2.8247 -2.8247 -2.6758 -2.6758 -2.4464 -2.4464 2.9654 2.9654 3.5715 3.5715 3.5881 3.5881 3.7333 3.7333 3.7718 3.7718 3.8020 3.8020 3.8972 3.8972 4.1050 4.1050 4.5168 4.5168 4.7799 4.7799 4.9488 4.9488 5.7980 5.7980 5.8543 5.8543 6.3376 6.3376 6.5773 6.5773 8.3310 8.3310 8.4034 8.4034 8.4367 8.4367 8.5070 8.5070 8.9500 8.9500 9.2740 9.2740 9.2802 9.2802 9.4964 9.4964 9.5728 9.5728 10.2591 10.2591 11.8395 11.8395 12.3101 12.3101 12.9032 12.9032 k = 0.1454 0.9159 0.8334 ( 6534 PWs) bands (ev): -18.2722 -18.2722 -18.2632 -18.2632 -14.7307 -14.7307 -14.7263 -14.7263 -9.7535 -9.7535 -5.1316 -5.1316 -5.0709 -5.0709 -4.0680 -4.0680 -3.7994 -3.7994 -2.8599 -2.8599 -2.8244 -2.8244 -2.6754 -2.6754 -2.4465 -2.4465 2.9647 2.9647 3.5727 3.5727 3.5872 3.5872 3.7361 3.7361 3.7692 3.7692 3.7978 3.7978 3.9014 3.9014 4.1052 4.1052 4.5159 4.5159 4.7779 4.7779 4.9506 4.9506 5.7976 5.7976 5.8543 5.8543 6.3410 6.3410 6.5740 6.5740 8.3309 8.3309 8.4045 8.4045 8.4355 8.4355 8.5078 8.5078 8.9491 8.9491 9.2745 9.2745 9.2802 9.2802 9.4971 9.4971 9.5725 9.5725 10.2598 10.2598 11.8352 11.8352 12.3219 12.3219 12.8853 12.8853 k = 0.1163 0.9116 0.8379 ( 6531 PWs) bands (ev): -18.2713 -18.2713 -18.2640 -18.2640 -14.7304 -14.7304 -14.7268 -14.7268 -9.7534 -9.7534 -5.1309 -5.1309 -5.0719 -5.0719 -4.0674 -4.0674 -3.8002 -3.8002 -2.8602 -2.8602 -2.8241 -2.8241 -2.6750 -2.6750 -2.4467 -2.4467 2.9642 2.9642 3.5739 3.5739 3.5862 3.5862 3.7386 3.7386 3.7671 3.7671 3.7936 3.7936 3.9053 3.9053 4.1054 4.1054 4.5149 4.5149 4.7760 4.7760 4.9522 4.9522 5.7972 5.7972 5.8543 5.8543 6.3439 6.3439 6.5712 6.5712 8.3308 8.3308 8.4056 8.4056 8.4344 8.4344 8.5084 8.5084 8.9484 8.9484 9.2749 9.2749 9.2802 9.2802 9.4977 9.4977 9.5723 9.5723 10.2605 10.2605 11.8310 11.8310 12.3346 12.3346 12.8668 12.8668 k = 0.0872 0.9074 0.8423 ( 6534 PWs) bands (ev): -18.2703 -18.2703 -18.2649 -18.2649 -14.7299 -14.7299 -14.7273 -14.7273 -9.7533 -9.7533 -5.1303 -5.1303 -5.0728 -5.0728 -4.0669 -4.0669 -3.8007 -3.8007 -2.8605 -2.8605 -2.8238 -2.8238 -2.6747 -2.6747 -2.4468 -2.4468 2.9637 2.9637 3.5750 3.5750 3.5852 3.5852 3.7407 3.7407 3.7658 3.7658 3.7898 3.7898 3.9085 3.9085 4.1056 4.1056 4.5140 4.5140 4.7745 4.7745 4.9536 4.9536 5.7969 5.7969 5.8543 5.8543 6.3462 6.3462 6.5689 6.5689 8.3308 8.3308 8.4066 8.4066 8.4333 8.4333 8.5090 8.5090 8.9479 8.9479 9.2753 9.2753 9.2802 9.2802 9.4982 9.4982 9.5721 9.5721 10.2610 10.2610 11.8273 11.8273 12.3468 12.3468 12.8498 12.8498 k = 0.0581 0.9031 0.8467 ( 6533 PWs) bands (ev): -18.2694 -18.2694 -18.2658 -18.2658 -14.7295 -14.7295 -14.7278 -14.7278 -9.7533 -9.7533 -5.1299 -5.1299 -5.0734 -5.0734 -4.0666 -4.0666 -3.8012 -3.8012 -2.8607 -2.8607 -2.8236 -2.8236 -2.6745 -2.6745 -2.4469 -2.4469 2.9634 2.9634 3.5761 3.5761 3.5843 3.5843 3.7422 3.7422 3.7653 3.7653 3.7867 3.7867 3.9110 3.9110 4.1057 4.1057 4.5132 4.5132 4.7734 4.7734 4.9546 4.9546 5.7966 5.7966 5.8543 5.8543 6.3480 6.3480 6.5673 6.5673 8.3307 8.3307 8.4074 8.4074 8.4324 8.4324 8.5094 8.5094 8.9475 8.9475 9.2756 9.2756 9.2802 9.2802 9.4986 9.4986 9.5719 9.5719 10.2614 10.2614 11.8244 11.8244 12.3570 12.3570 12.8359 12.8359 k = 0.0291 0.8989 0.8512 ( 6535 PWs) bands (ev): -18.2685 -18.2685 -18.2666 -18.2666 -14.7291 -14.7291 -14.7282 -14.7282 -9.7532 -9.7532 -5.1296 -5.1296 -5.0737 -5.0737 -4.0664 -4.0664 -3.8014 -3.8014 -2.8609 -2.8609 -2.8235 -2.8235 -2.6743 -2.6743 -2.4470 -2.4470 2.9632 2.9632 3.5769 3.5769 3.5835 3.5835 3.7431 3.7431 3.7653 3.7653 3.7844 3.7844 3.9125 3.9125 4.1058 4.1058 4.5127 4.5127 4.7728 4.7728 4.9553 4.9553 5.7965 5.7965 5.8543 5.8543 6.3491 6.3491 6.5662 6.5662 8.3307 8.3307 8.4080 8.4080 8.4318 8.4318 8.5096 8.5096 8.9472 8.9472 9.2757 9.2757 9.2802 9.2802 9.4988 9.4988 9.5718 9.5718 10.2616 10.2616 11.8225 11.8225 12.3638 12.3638 12.8268 12.8268 k = 0.0000 0.8947 0.8556 ( 6544 PWs) bands (ev): -18.2678 -18.2678 -18.2674 -18.2674 -14.7287 -14.7287 -14.7286 -14.7286 -9.7532 -9.7532 -5.1295 -5.1295 -5.0739 -5.0739 -4.0663 -4.0663 -3.8015 -3.8015 -2.8609 -2.8609 -2.8234 -2.8234 -2.6743 -2.6743 -2.4470 -2.4470 2.9631 2.9631 3.5772 3.5772 3.5832 3.5832 3.7433 3.7433 3.7653 3.7653 3.7836 3.7836 3.9130 3.9130 4.1058 4.1058 4.5126 4.5126 4.7725 4.7725 4.9555 4.9555 5.7964 5.7964 5.8543 5.8543 6.3494 6.3494 6.5659 6.5659 8.3307 8.3307 8.4081 8.4081 8.4316 8.4316 8.5097 8.5097 8.9471 8.9471 9.2757 9.2757 9.2802 9.2802 9.4988 9.4988 9.5718 9.5718 10.2617 10.2617 11.8219 11.8219 12.3662 12.3662 12.8236 12.8236 k = 0.0000 0.8947 0.8556 ( 6544 PWs) bands (ev): -18.2678 -18.2678 -18.2674 -18.2674 -14.7287 -14.7287 -14.7286 -14.7286 -9.7532 -9.7532 -5.1295 -5.1295 -5.0739 -5.0739 -4.0663 -4.0663 -3.8015 -3.8015 -2.8609 -2.8609 -2.8234 -2.8234 -2.6743 -2.6743 -2.4470 -2.4470 2.9631 2.9631 3.5772 3.5772 3.5832 3.5832 3.7433 3.7433 3.7653 3.7653 3.7836 3.7836 3.9130 3.9130 4.1058 4.1058 4.5126 4.5126 4.7725 4.7725 4.9555 4.9555 5.7964 5.7964 5.8543 5.8543 6.3494 6.3494 6.5659 6.5659 8.3307 8.3307 8.4081 8.4081 8.4316 8.4316 8.5097 8.5097 8.9471 8.9471 9.2757 9.2757 9.2802 9.2802 9.4988 9.4988 9.5718 9.5718 10.2617 10.2617 11.8219 11.8219 12.3662 12.3662 12.8236 12.8236 k = 0.0064 0.8737 0.8776 ( 6536 PWs) bands (ev): -18.2676 -18.2676 -18.2672 -18.2672 -14.7289 -14.7289 -14.7287 -14.7287 -9.7530 -9.7530 -5.1295 -5.1295 -5.0736 -5.0736 -4.0662 -4.0662 -3.8013 -3.8013 -2.8639 -2.8639 -2.8217 -2.8217 -2.6744 -2.6744 -2.4476 -2.4476 2.9622 2.9622 3.5776 3.5776 3.5840 3.5840 3.7292 3.7292 3.7582 3.7582 3.7991 3.7991 3.9188 3.9188 4.1020 4.1020 4.5124 4.5124 4.7748 4.7748 4.9555 4.9555 5.7962 5.7962 5.8528 5.8528 6.3480 6.3480 6.5649 6.5649 8.3319 8.3319 8.3977 8.3977 8.4325 8.4325 8.5201 8.5201 8.9467 8.9467 9.2754 9.2754 9.2851 9.2851 9.4848 9.4848 9.5850 9.5850 10.2615 10.2615 11.8246 11.8246 12.3703 12.3703 12.8260 12.8260 k = 0.0128 0.8527 0.8995 ( 6540 PWs) bands (ev): -18.2672 -18.2672 -18.2668 -18.2668 -14.7295 -14.7295 -14.7290 -14.7290 -9.7522 -9.7522 -5.1293 -5.1293 -5.0727 -5.0727 -4.0658 -4.0658 -3.8006 -3.8006 -2.8717 -2.8717 -2.8177 -2.8177 -2.6748 -2.6748 -2.4493 -2.4493 2.9592 2.9592 3.5788 3.5788 3.5862 3.5862 3.7048 3.7048 3.7415 3.7415 3.8252 3.8252 3.9337 3.9337 4.0909 4.0909 4.5120 4.5120 4.7813 4.7813 4.9554 4.9554 5.7954 5.7954 5.8481 5.8481 6.3438 6.3438 6.5621 6.5621 8.3348 8.3348 8.3776 8.3776 8.4306 8.4306 8.5454 8.5454 8.9456 8.9456 9.2752 9.2752 9.2984 9.2984 9.4564 9.4564 9.6111 9.6111 10.2608 10.2608 11.8328 11.8328 12.3824 12.3824 12.8331 12.8331 k = 0.0192 0.8317 0.9214 ( 6534 PWs) bands (ev): -18.2665 -18.2665 -18.2661 -18.2661 -14.7303 -14.7303 -14.7296 -14.7296 -9.7509 -9.7509 -5.1290 -5.1290 -5.0714 -5.0714 -4.0652 -4.0652 -3.7995 -3.7995 -2.8823 -2.8823 -2.8135 -2.8135 -2.6755 -2.6755 -2.4521 -2.4521 2.9543 2.9543 3.5806 3.5806 3.5895 3.5895 3.6795 3.6795 3.7190 3.7190 3.8531 3.8531 3.9533 3.9533 4.0733 4.0733 4.5112 4.5112 4.7916 4.7916 4.9552 4.9552 5.7941 5.7941 5.8404 5.8404 6.3368 6.3368 6.5574 6.5574 8.3341 8.3341 8.3615 8.3615 8.4252 8.4252 8.5779 8.5779 8.9444 8.9444 9.2751 9.2751 9.3192 9.3192 9.4243 9.4243 9.6397 9.6397 10.2598 10.2598 11.8464 11.8464 12.4026 12.4026 12.8451 12.8451 k = 0.0256 0.8107 0.9434 ( 6540 PWs) bands (ev): -18.2656 -18.2656 -18.2652 -18.2652 -14.7313 -14.7313 -14.7304 -14.7304 -9.7492 -9.7492 -5.1286 -5.1286 -5.0694 -5.0694 -4.0643 -4.0643 -3.7980 -3.7980 -2.8946 -2.8946 -2.8100 -2.8100 -2.6764 -2.6764 -2.4561 -2.4561 2.9475 2.9475 3.5823 3.5823 3.5932 3.5932 3.6559 3.6559 3.6939 3.6939 3.8813 3.8813 3.9737 3.9737 4.0516 4.0516 4.5102 4.5102 4.8049 4.8049 4.9550 4.9550 5.7924 5.7924 5.8298 5.8298 6.3272 6.3272 6.5508 6.5508 8.3187 8.3187 8.3628 8.3628 8.4176 8.4176 8.6139 8.6139 8.9437 8.9437 9.2750 9.2750 9.3448 9.3448 9.3931 9.3931 9.6681 9.6681 10.2585 10.2585 11.8653 11.8653 12.4306 12.4306 12.8617 12.8617 k = 0.0321 0.7898 0.9653 ( 6536 PWs) bands (ev): -18.2644 -18.2644 -18.2640 -18.2640 -14.7327 -14.7327 -14.7315 -14.7315 -9.7469 -9.7469 -5.1281 -5.1281 -5.0670 -5.0670 -4.0631 -4.0631 -3.7960 -3.7960 -2.9080 -2.9080 -2.8079 -2.8079 -2.6776 -2.6776 -2.4612 -2.4612 2.9389 2.9389 3.5813 3.5813 3.5960 3.5960 3.6363 3.6363 3.6690 3.6690 3.9094 3.9094 3.9866 3.9866 4.0335 4.0335 4.5089 4.5089 4.8205 4.8205 4.9547 4.9547 5.7902 5.7902 5.8164 5.8164 6.3151 6.3151 6.5425 6.5425 8.2976 8.2976 8.3715 8.3715 8.4100 8.4100 8.6520 8.6520 8.9441 8.9441 9.2744 9.2744 9.3488 9.3488 9.3896 9.3896 9.6952 9.6952 10.2572 10.2572 11.8893 11.8893 12.4661 12.4661 12.8831 12.8831 k = 0.0385 0.7688 0.9873 ( 6538 PWs) bands (ev): -18.2629 -18.2629 -18.2625 -18.2625 -14.7342 -14.7342 -14.7329 -14.7329 -9.7442 -9.7442 -5.1274 -5.1274 -5.0642 -5.0642 -4.0616 -4.0616 -3.7936 -3.7936 -2.9223 -2.9223 -2.8072 -2.8072 -2.6791 -2.6791 -2.4675 -2.4675 2.9284 2.9284 3.5721 3.5721 3.5952 3.5952 3.6238 3.6238 3.6507 3.6507 3.9363 3.9363 3.9730 3.9730 4.0391 4.0391 4.5074 4.5074 4.8377 4.8377 4.9544 4.9544 5.7875 5.7875 5.8004 5.8004 6.3007 6.3007 6.5325 6.5325 8.2767 8.2767 8.3756 8.3756 8.4094 8.4094 8.6911 8.6911 8.9462 8.9462 9.2725 9.2725 9.3208 9.3208 9.4247 9.4247 9.7207 9.7207 10.2560 10.2560 11.9182 11.9182 12.5088 12.5088 12.9092 12.9092 k = 0.0449 0.7478 1.0092 ( 6540 PWs) bands (ev): -18.2612 -18.2612 -18.2608 -18.2608 -14.7361 -14.7361 -14.7345 -14.7345 -9.7410 -9.7410 -5.1267 -5.1267 -5.0609 -5.0609 -4.0596 -4.0596 -3.7907 -3.7907 -2.9372 -2.9372 -2.8081 -2.8081 -2.6810 -2.6810 -2.4749 -2.4749 2.9163 2.9163 3.5537 3.5537 3.5822 3.5822 3.6198 3.6198 3.6467 3.6467 3.9370 3.9370 3.9684 3.9684 4.0587 4.0587 4.5057 4.5057 4.8558 4.8558 4.9541 4.9541 5.7821 5.7821 5.7844 5.7844 6.2841 6.2841 6.5208 6.5208 8.2569 8.2569 8.3679 8.3679 8.4219 8.4219 8.7308 8.7308 8.9500 8.9500 9.2640 9.2640 9.2970 9.2970 9.4668 9.4668 9.7444 9.7444 10.2552 10.2552 11.9517 11.9517 12.5583 12.5583 12.9399 12.9399 k = 0.0513 0.7268 1.0311 ( 6536 PWs) bands (ev): -18.2593 -18.2593 -18.2589 -18.2589 -14.7381 -14.7381 -14.7364 -14.7364 -9.7374 -9.7374 -5.1258 -5.1258 -5.0572 -5.0572 -4.0571 -4.0571 -3.7874 -3.7874 -2.9525 -2.9525 -2.8107 -2.8107 -2.6834 -2.6834 -2.4834 -2.4834 2.9026 2.9026 3.5300 3.5300 3.5581 3.5581 3.6236 3.6236 3.6527 3.6527 3.9031 3.9031 3.9936 3.9936 4.0805 4.0805 4.5038 4.5038 4.8743 4.8743 4.9538 4.9538 5.7617 5.7617 5.7809 5.7809 6.2655 6.2655 6.5076 6.5076 8.2387 8.2387 8.3546 8.3546 8.4416 8.4416 8.7704 8.7704 8.9556 8.9556 9.2414 9.2414 9.2879 9.2879 9.5126 9.5126 9.7661 9.7661 10.2551 10.2551 11.9896 11.9896 12.6141 12.6141 12.9752 12.9752 k = 0.0577 0.7058 1.0531 ( 6536 PWs) bands (ev): -18.2571 -18.2571 -18.2567 -18.2567 -14.7404 -14.7404 -14.7384 -14.7384 -9.7333 -9.7333 -5.1248 -5.1248 -5.0532 -5.0532 -4.0542 -4.0542 -3.7836 -3.7836 -2.9680 -2.9680 -2.8149 -2.8149 -2.6863 -2.6863 -2.4930 -2.4930 2.8874 2.8874 3.5023 3.5023 3.5321 3.5321 3.6298 3.6298 3.6629 3.6629 3.8675 3.8675 4.0194 4.0194 4.1022 4.1022 4.5018 4.5018 4.8927 4.8927 4.9537 4.9537 5.7395 5.7395 5.7769 5.7769 6.2452 6.2452 6.4929 6.4929 8.2219 8.2219 8.3394 8.3394 8.4646 8.4646 8.8095 8.8095 8.9631 8.9631 9.2123 9.2123 9.2863 9.2863 9.5612 9.5612 9.7858 9.7858 10.2558 10.2558 12.0314 12.0314 12.6757 12.6757 13.0149 13.0149 k = 0.0641 0.6848 1.0750 ( 6544 PWs) bands (ev): -18.2547 -18.2547 -18.2543 -18.2543 -14.7429 -14.7429 -14.7408 -14.7408 -9.7289 -9.7289 -5.1237 -5.1237 -5.0489 -5.0489 -4.0506 -4.0506 -3.7793 -3.7793 -2.9837 -2.9837 -2.8207 -2.8207 -2.6898 -2.6898 -2.5037 -2.5037 2.8709 2.8709 3.4703 3.4703 3.5078 3.5078 3.6356 3.6356 3.6753 3.6753 3.8337 3.8337 4.0445 4.0445 4.1232 4.1232 4.4998 4.4998 4.9106 4.9106 4.9540 4.9540 5.7157 5.7157 5.7726 5.7726 6.2233 6.2233 6.4770 6.4770 8.2064 8.2064 8.3233 8.3233 8.4897 8.4897 8.8477 8.8477 8.9722 8.9722 9.1827 9.1827 9.2869 9.2869 9.6118 9.6118 9.8035 9.8035 10.2576 10.2576 12.0767 12.0767 12.7425 12.7425 13.0587 13.0587 k = 0.0705 0.6639 1.0969 ( 6538 PWs) bands (ev): -18.2522 -18.2522 -18.2518 -18.2518 -14.7456 -14.7456 -14.7433 -14.7433 -9.7241 -9.7241 -5.1225 -5.1225 -5.0445 -5.0445 -4.0464 -4.0464 -3.7745 -3.7745 -2.9993 -2.9993 -2.8279 -2.8279 -2.6941 -2.6941 -2.5155 -2.5155 2.8532 2.8532 3.4344 3.4344 3.4859 3.4859 3.6386 3.6386 3.6892 3.6892 3.8048 3.8048 4.0685 4.0685 4.1432 4.1432 4.4978 4.4978 4.9271 4.9271 4.9551 4.9551 5.6906 5.6906 5.7680 5.7680 6.2001 6.2001 6.4598 6.4598 8.1922 8.1922 8.3070 8.3070 8.5164 8.5164 8.8846 8.8846 8.9829 8.9829 9.1539 9.1539 9.2885 9.2885 9.6640 9.6640 9.8191 9.8191 10.2608 10.2608 12.1251 12.1251 12.8138 12.8138 13.1063 13.1063 k = 0.0769 0.6429 1.1189 ( 6538 PWs) bands (ev): -18.2494 -18.2494 -18.2490 -18.2490 -14.7484 -14.7484 -14.7460 -14.7460 -9.7189 -9.7189 -5.1213 -5.1213 -5.0399 -5.0399 -4.0415 -4.0415 -3.7692 -3.7692 -3.0149 -3.0149 -2.8366 -2.8366 -2.6992 -2.6992 -2.5283 -2.5283 2.8345 2.8345 3.3952 3.3952 3.4657 3.4657 3.6358 3.6358 3.7043 3.7043 3.7843 3.7843 4.0914 4.0914 4.1621 4.1621 4.4959 4.4959 4.9399 4.9399 4.9593 4.9593 5.6644 5.6644 5.7631 5.7631 6.1758 6.1758 6.4417 6.4417 8.1791 8.1791 8.2908 8.2908 8.5442 8.5442 8.9199 8.9199 8.9949 8.9949 9.1265 9.1265 9.2907 9.2907 9.7173 9.7173 9.8328 9.8328 10.2655 10.2655 12.1761 12.1761 12.8890 12.8890 13.1566 13.1566 k = 0.0833 0.6219 1.1408 ( 6538 PWs) bands (ev): -18.2465 -18.2465 -18.2461 -18.2461 -14.7514 -14.7514 -14.7489 -14.7489 -9.7135 -9.7135 -5.1199 -5.1199 -5.0352 -5.0352 -4.0359 -4.0359 -3.7633 -3.7633 -3.0302 -3.0302 -2.8465 -2.8465 -2.7051 -2.7051 -2.5422 -2.5422 2.8149 2.8149 3.3532 3.3532 3.4472 3.4472 3.6252 3.6252 3.7202 3.7202 3.7748 3.7748 4.1130 4.1130 4.1799 4.1799 4.4942 4.4942 4.9458 4.9458 4.9698 4.9698 5.6374 5.6374 5.7579 5.7579 6.1506 6.1506 6.4226 6.4226 8.1668 8.1668 8.2748 8.2748 8.5728 8.5728 8.9530 8.9530 9.0080 9.0080 9.1010 9.1010 9.2936 9.2936 9.7712 9.7712 9.8447 9.8447 10.2719 10.2719 12.2289 12.2289 12.9673 12.9673 13.2082 13.2082 k = 0.0897 0.6009 1.1628 ( 6542 PWs) bands (ev): -18.2435 -18.2435 -18.2431 -18.2431 -14.7546 -14.7546 -14.7519 -14.7519 -9.7077 -9.7077 -5.1184 -5.1184 -5.0304 -5.0304 -4.0294 -4.0294 -3.7567 -3.7567 -3.0451 -3.0451 -2.8577 -2.8577 -2.7120 -2.7120 -2.5570 -2.5570 2.7945 2.7945 3.3087 3.3087 3.4299 3.4299 3.6077 3.6077 3.7369 3.7369 3.7754 3.7754 4.1331 4.1331 4.1965 4.1965 4.4927 4.4927 4.9476 4.9476 4.9836 4.9836 5.6098 5.6098 5.7525 5.7525 6.1246 6.1246 6.4027 6.4027 8.1554 8.1554 8.2593 8.2593 8.6017 8.6017 8.9834 8.9834 9.0214 9.0214 9.0784 9.0784 9.2971 9.2971 9.8252 9.8252 9.8550 9.8550 10.2801 10.2801 12.2830 12.2830 13.0480 13.0480 13.2576 13.2576 k = 0.0962 0.5799 1.1847 ( 6544 PWs) bands (ev): -18.2403 -18.2403 -18.2399 -18.2399 -14.7579 -14.7579 -14.7551 -14.7551 -9.7018 -9.7018 -5.1169 -5.1169 -5.0258 -5.0258 -4.0221 -4.0221 -3.7496 -3.7496 -3.0596 -3.0596 -2.8701 -2.8701 -2.7199 -2.7199 -2.5729 -2.5729 2.7737 2.7737 3.2620 3.2620 3.4140 3.4140 3.5866 3.5866 3.7542 3.7542 3.7831 3.7831 4.1519 4.1519 4.2119 4.2119 4.4917 4.4917 4.9483 4.9483 4.9977 4.9977 5.5818 5.5818 5.7469 5.7469 6.0980 6.0980 6.3823 6.3823 8.1445 8.1445 8.2444 8.2444 8.6306 8.6306 9.0097 9.0097 9.0309 9.0309 9.0642 9.0642 9.3014 9.3014 9.8619 9.8619 9.8809 9.8809 10.2902 10.2902 12.3378 12.3378 13.1304 13.1304 13.2984 13.2984 k = 0.1026 0.5590 1.2066 ( 6556 PWs) bands (ev): -18.2370 -18.2370 -18.2366 -18.2366 -14.7613 -14.7613 -14.7584 -14.7584 -9.6956 -9.6956 -5.1152 -5.1152 -5.0213 -5.0213 -4.0140 -4.0140 -3.7417 -3.7417 -3.0736 -3.0736 -2.8835 -2.8835 -2.7288 -2.7288 -2.5896 -2.5896 2.7524 2.7524 3.2135 3.2135 3.3992 3.3992 3.5644 3.5644 3.7721 3.7721 3.7948 3.7948 4.1692 4.1692 4.2261 4.2261 4.4910 4.4910 4.9488 4.9488 5.0112 5.0112 5.5536 5.5536 5.7411 5.7411 6.0711 6.0711 6.3614 6.3614 8.1340 8.1340 8.2301 8.2301 8.6592 8.6592 9.0163 9.0163 9.0394 9.0394 9.0707 9.0707 9.3065 9.3065 9.8692 9.8692 9.9342 9.9342 10.3021 10.3021 12.3925 12.3925 13.2136 13.2136 13.3234 13.3234 k = 0.1090 0.5380 1.2286 ( 6554 PWs) bands (ev): -18.2336 -18.2336 -18.2332 -18.2332 -14.7647 -14.7647 -14.7618 -14.7618 -9.6893 -9.6893 -5.1135 -5.1135 -5.0170 -5.0170 -4.0050 -4.0050 -3.7331 -3.7331 -3.0870 -3.0870 -2.8979 -2.8979 -2.7387 -2.7387 -2.6072 -2.6072 2.7310 2.7310 3.1637 3.1637 3.3856 3.3856 3.5430 3.5430 3.7903 3.7903 3.8088 3.8088 4.1851 4.1851 4.2391 4.2391 4.4910 4.4910 4.9492 4.9492 5.0239 5.0239 5.5254 5.5254 5.7352 5.7352 6.0440 6.0440 6.3403 6.3403 8.1240 8.1240 8.2166 8.2166 8.6872 8.6872 9.0006 9.0006 9.0588 9.0588 9.0887 9.0887 9.3124 9.3124 9.8746 9.8746 9.9873 9.9873 10.3158 10.3158 12.4465 12.4465 13.2964 13.2964 13.3319 13.3319 k = 0.1154 0.5170 1.2505 ( 6550 PWs) bands (ev): -18.2302 -18.2302 -18.2298 -18.2298 -14.7682 -14.7682 -14.7653 -14.7653 -9.6828 -9.6828 -5.1117 -5.1117 -5.0129 -5.0129 -3.9950 -3.9950 -3.7237 -3.7237 -3.0996 -3.0996 -2.9133 -2.9133 -2.7497 -2.7497 -2.6257 -2.6257 2.7095 2.7095 3.1130 3.1130 3.3732 3.3732 3.5228 3.5228 3.8086 3.8086 3.8239 3.8239 4.1996 4.1996 4.2510 4.2510 4.4916 4.4916 4.9497 4.9497 5.0357 5.0357 5.4974 5.4974 5.7292 5.7292 6.0169 6.0169 6.3189 6.3189 8.1142 8.1142 8.2039 8.2039 8.7142 8.7142 8.9829 8.9829 9.0775 9.0775 9.1092 9.1092 9.3193 9.3193 9.8786 9.8786 10.0396 10.0396 10.3312 10.3312 12.4993 12.4993 13.3259 13.3259 13.3808 13.3808 k = 0.1218 0.4960 1.2725 ( 6544 PWs) bands (ev): -18.2267 -18.2267 -18.2263 -18.2263 -14.7718 -14.7718 -14.7688 -14.7688 -9.6763 -9.6763 -5.1097 -5.1097 -5.0092 -5.0092 -3.9842 -3.9842 -3.7135 -3.7135 -3.1116 -3.1116 -2.9295 -2.9295 -2.7617 -2.7617 -2.6448 -2.6448 2.6881 2.6881 3.0620 3.0620 3.3618 3.3618 3.5043 3.5043 3.8270 3.8270 3.8394 3.8394 4.2130 4.2130 4.2617 4.2617 4.4928 4.4928 4.9504 4.9504 5.0466 5.0466 5.4697 5.4697 5.7232 5.7232 5.9898 5.9898 6.2976 6.2976 8.1046 8.1046 8.1919 8.1919 8.7400 8.7400 8.9658 8.9658 9.0954 9.0954 9.1297 9.1297 9.3272 9.3272 9.8813 9.8813 10.0908 10.0908 10.3480 10.3480 12.5505 12.5505 13.3143 13.3143 13.4612 13.4612 k = 0.1282 0.4750 1.2944 ( 6544 PWs) bands (ev): -18.2232 -18.2232 -18.2228 -18.2228 -14.7754 -14.7754 -14.7724 -14.7724 -9.6698 -9.6698 -5.1076 -5.1076 -5.0058 -5.0058 -3.9725 -3.9725 -3.7025 -3.7025 -3.1227 -3.1227 -2.9464 -2.9464 -2.7746 -2.7746 -2.6646 -2.6646 2.6670 2.6670 3.0111 3.0111 3.3515 3.3515 3.4876 3.4876 3.8450 3.8450 3.8549 3.8549 4.2253 4.2253 4.2714 4.2714 4.4947 4.4947 4.9512 4.9512 5.0565 5.0565 5.4425 5.4425 5.7172 5.7172 5.9630 5.9630 6.2765 6.2765 8.0953 8.0953 8.1806 8.1806 8.7644 8.7644 8.9498 8.9498 9.1128 9.1128 9.1493 9.1493 9.3360 9.3360 9.8829 9.8829 10.1405 10.1405 10.3661 10.3661 12.5998 12.5998 13.2974 13.2974 13.5382 13.5382 k = 0.1346 0.4540 1.3163 ( 6550 PWs) bands (ev): -18.2197 -18.2197 -18.2193 -18.2193 -14.7789 -14.7789 -14.7760 -14.7760 -9.6632 -9.6632 -5.1054 -5.1054 -5.0029 -5.0029 -3.9598 -3.9598 -3.6905 -3.6905 -3.1330 -3.1330 -2.9640 -2.9640 -2.7886 -2.7886 -2.6850 -2.6850 2.6463 2.6463 2.9607 2.9607 3.3422 3.3422 3.4726 3.4726 3.8625 3.8625 3.8700 3.8700 4.2369 4.2369 4.2801 4.2801 4.4973 4.4973 4.9522 4.9522 5.0655 5.0655 5.4158 5.4158 5.7111 5.7111 5.9366 5.9366 6.2556 6.2556 8.0861 8.0861 8.1700 8.1700 8.7871 8.7871 8.9349 8.9349 9.1299 9.1299 9.1678 9.1678 9.3458 9.3458 9.8836 9.8836 10.1885 10.1885 10.3852 10.3852 12.6470 12.6470 13.2771 13.2771 13.6088 13.6088 k = 0.1410 0.4331 1.3383 ( 6550 PWs) bands (ev): -18.2162 -18.2162 -18.2158 -18.2158 -14.7824 -14.7824 -14.7796 -14.7796 -9.6567 -9.6567 -5.1031 -5.1031 -5.0005 -5.0005 -3.9464 -3.9464 -3.6776 -3.6776 -3.1425 -3.1425 -2.9823 -2.9823 -2.8035 -2.8035 -2.7058 -2.7058 2.6262 2.6262 2.9112 2.9112 3.3338 3.3338 3.4592 3.4592 3.8792 3.8792 3.8846 3.8846 4.2478 4.2478 4.2880 4.2880 4.5005 4.5005 4.9534 4.9534 5.0735 5.0735 5.3898 5.3898 5.7051 5.7051 5.9107 5.9107 6.2351 6.2351 8.0772 8.0772 8.1601 8.1601 8.8080 8.8080 8.9212 8.9212 9.1466 9.1466 9.1852 9.1852 9.3565 9.3565 9.8834 9.8834 10.2347 10.2347 10.4052 10.4052 12.6923 12.6923 13.2541 13.2541 13.6700 13.6700 k = 0.1474 0.4121 1.3602 ( 6552 PWs) bands (ev): -18.2128 -18.2128 -18.2124 -18.2124 -14.7859 -14.7859 -14.7831 -14.7831 -9.6502 -9.6502 -5.1006 -5.1006 -4.9986 -4.9986 -3.9321 -3.9321 -3.6638 -3.6638 -3.1512 -3.1512 -3.0010 -3.0010 -2.8192 -2.8192 -2.7269 -2.7269 2.6066 2.6066 2.8630 2.8630 3.3264 3.3264 3.4474 3.4474 3.8945 3.8945 3.8986 3.8986 4.2584 4.2584 4.2953 4.2953 4.5042 4.5042 4.9549 4.9549 5.0806 5.0806 5.3646 5.3646 5.6991 5.6991 5.8855 5.8855 6.2151 6.2151 8.0685 8.0685 8.1507 8.1507 8.8269 8.8269 8.9087 8.9087 9.1629 9.1629 9.2015 9.2015 9.3680 9.3680 9.8825 9.8825 10.2789 10.2789 10.4258 10.4258 12.7357 12.7357 13.2291 13.2291 13.7200 13.7200 k = 0.1538 0.3911 1.3822 ( 6554 PWs) bands (ev): -18.2094 -18.2094 -18.2090 -18.2090 -14.7893 -14.7893 -14.7866 -14.7866 -9.6439 -9.6439 -5.0979 -5.0979 -4.9972 -4.9972 -3.9172 -3.9172 -3.6490 -3.6490 -3.1590 -3.1590 -3.0201 -3.0201 -2.8358 -2.8358 -2.7482 -2.7482 2.5879 2.5879 2.8164 2.8164 3.3198 3.3198 3.4371 3.4371 3.9079 3.9079 3.9123 3.9123 4.2686 4.2686 4.3021 4.3021 4.5083 4.5083 4.9566 4.9566 5.0867 5.0867 5.3401 5.3401 5.6932 5.6932 5.8611 5.8611 6.1957 6.1957 8.0600 8.0600 8.1419 8.1419 8.8439 8.8439 8.8973 8.8973 9.1787 9.1787 9.2169 9.2169 9.3802 9.3802 9.8809 9.8809 10.3208 10.3208 10.4467 10.4467 12.7774 12.7774 13.2026 13.2026 13.7595 13.7595 k = 0.1603 0.3701 1.4041 ( 6556 PWs) bands (ev): -18.2061 -18.2061 -18.2058 -18.2058 -14.7926 -14.7926 -14.7899 -14.7899 -9.6378 -9.6378 -5.0951 -5.0951 -4.9964 -4.9964 -3.9016 -3.9016 -3.6333 -3.6333 -3.1661 -3.1661 -3.0396 -3.0396 -2.8531 -2.8531 -2.7695 -2.7695 2.5700 2.5700 2.7716 2.7716 3.3141 3.3141 3.4281 3.4281 3.9194 3.9194 3.9253 3.9253 4.2788 4.2788 4.3086 4.3086 4.5127 4.5127 4.9585 4.9585 5.0920 5.0920 5.3166 5.3166 5.6874 5.6874 5.8377 5.8377 6.1771 6.1771 8.0520 8.0520 8.1337 8.1337 8.8586 8.8586 8.8874 8.8874 9.1939 9.1939 9.2313 9.2313 9.3930 9.3930 9.8789 9.8789 10.3603 10.3603 10.4677 10.4677 12.8178 12.8178 13.1751 13.1751 13.7914 13.7914 k = 0.1667 0.3491 1.4260 ( 6544 PWs) bands (ev): -18.2030 -18.2030 -18.2026 -18.2026 -14.7958 -14.7958 -14.7932 -14.7932 -9.6319 -9.6319 -5.0921 -5.0921 -4.9962 -4.9962 -3.8854 -3.8854 -3.6166 -3.6166 -3.1725 -3.1725 -3.0592 -3.0592 -2.8710 -2.8710 -2.7907 -2.7907 2.5530 2.5530 2.7290 2.7290 3.3091 3.3091 3.4203 3.4203 3.9293 3.9293 3.9372 3.9372 4.2890 4.2890 4.3151 4.3151 4.5173 4.5173 4.9608 4.9608 5.0965 5.0965 5.2941 5.2941 5.6817 5.6817 5.8154 5.8154 6.1594 6.1594 8.0443 8.0443 8.1260 8.1260 8.8688 8.8688 8.8811 8.8811 9.2085 9.2085 9.2449 9.2449 9.4061 9.4061 9.8765 9.8765 10.3974 10.3974 10.4886 10.4886 12.8570 12.8570 13.1470 13.1470 13.8185 13.8185 k = 0.1731 0.3282 1.4480 ( 6546 PWs) bands (ev): -18.2000 -18.2000 -18.1996 -18.1996 -14.7988 -14.7988 -14.7964 -14.7964 -9.6263 -9.6263 -5.0889 -5.0889 -4.9966 -4.9966 -3.8688 -3.8688 -3.5990 -3.5990 -3.1784 -3.1784 -3.0789 -3.0789 -2.8893 -2.8893 -2.8116 -2.8116 2.5371 2.5371 2.6887 2.6887 3.3047 3.3047 3.4137 3.4137 3.9377 3.9377 3.9475 3.9475 4.2991 4.2991 4.3217 4.3217 4.5220 4.5220 4.9633 4.9633 5.1001 5.1001 5.2726 5.2726 5.6760 5.6760 5.7943 5.7943 6.1425 6.1425 8.0369 8.0369 8.1188 8.1188 8.8662 8.8662 8.8868 8.8868 9.2222 9.2222 9.2576 9.2576 9.4193 9.4193 9.8738 9.8738 10.4318 10.4318 10.5092 10.5092 12.8953 12.8953 13.1188 13.1188 13.8427 13.8427 k = 0.1795 0.3072 1.4699 ( 6542 PWs) bands (ev): -18.1971 -18.1971 -18.1968 -18.1968 -14.8016 -14.8016 -14.7994 -14.7994 -9.6209 -9.6209 -5.0855 -5.0855 -4.9975 -4.9975 -3.8520 -3.8520 -3.5806 -3.5806 -3.1838 -3.1838 -3.0984 -3.0984 -2.9079 -2.9079 -2.8321 -2.8321 2.5222 2.5222 2.6509 2.6509 3.3010 3.3010 3.4081 3.4081 3.9448 3.9448 3.9563 3.9563 4.3092 4.3092 4.3283 4.3283 4.5266 4.5266 4.9662 4.9662 5.1030 5.1030 5.2522 5.2522 5.6704 5.6704 5.7746 5.7746 6.1267 6.1267 8.0301 8.0301 8.1122 8.1122 8.8593 8.8593 8.8960 8.8960 9.2351 9.2351 9.2696 9.2696 9.4324 9.4324 9.8709 9.8709 10.4635 10.4635 10.5293 10.5293 12.9326 12.9326 13.0908 13.0908 13.8649 13.8649 k = 0.1859 0.2862 1.4918 ( 6548 PWs) bands (ev): -18.1944 -18.1944 -18.1941 -18.1941 -14.8043 -14.8043 -14.8022 -14.8022 -9.6159 -9.6159 -5.0819 -5.0819 -4.9990 -4.9990 -3.8350 -3.8350 -3.5614 -3.5614 -3.1891 -3.1891 -3.1177 -3.1177 -2.9263 -2.9263 -2.8520 -2.8520 2.5085 2.5085 2.6159 2.6159 3.2979 3.2979 3.4035 3.4035 3.9507 3.9507 3.9634 3.9634 4.3191 4.3191 4.3351 4.3351 4.5311 4.5311 4.9693 4.9693 5.1052 5.1052 5.2330 5.2330 5.6648 5.6648 5.7566 5.7566 6.1120 6.1120 8.0237 8.0237 8.1060 8.1060 8.8527 8.8527 8.9043 8.9043 9.2471 9.2471 9.2808 9.2808 9.4452 9.4452 9.8680 9.8680 10.4923 10.4923 10.5486 10.5486 12.9691 12.9691 13.0635 13.0635 13.8859 13.8859 k = 0.1923 0.2652 1.5138 ( 6550 PWs) bands (ev): -18.1919 -18.1919 -18.1916 -18.1916 -14.8068 -14.8068 -14.8048 -14.8048 -9.6112 -9.6112 -5.0781 -5.0781 -5.0010 -5.0010 -3.8182 -3.8182 -3.5414 -3.5414 -3.1945 -3.1945 -3.1364 -3.1364 -2.9442 -2.9442 -2.8713 -2.8713 2.4959 2.4959 2.5838 2.5838 3.2953 3.2953 3.3997 3.3997 3.9555 3.9555 3.9690 3.9690 4.3289 4.3289 4.3420 4.3420 4.5354 4.5354 4.9727 4.9727 5.1067 5.1067 5.2150 5.2150 5.6591 5.6591 5.7403 5.7403 6.0984 6.0984 8.0178 8.0178 8.1003 8.1003 8.8467 8.8467 8.9115 8.9115 9.2581 9.2581 9.2912 9.2912 9.4574 9.4574 9.8651 9.8651 10.5182 10.5182 10.5670 10.5670 13.0041 13.0041 13.0378 13.0378 13.9058 13.9058 k = 0.1987 0.2442 1.5357 ( 6546 PWs) bands (ev): -18.1897 -18.1897 -18.1893 -18.1893 -14.8090 -14.8090 -14.8072 -14.8072 -9.6069 -9.6069 -5.0742 -5.0742 -5.0034 -5.0034 -3.8017 -3.8017 -3.5209 -3.5209 -3.2004 -3.2004 -3.1545 -3.1545 -2.9611 -2.9611 -2.8898 -2.8898 2.4846 2.4846 2.5547 2.5547 3.2931 3.2931 3.3966 3.3966 3.9593 3.9593 3.9733 3.9733 4.3382 4.3382 4.3488 4.3488 4.5394 4.5394 4.9763 4.9763 5.1075 5.1075 5.1984 5.1984 5.6534 5.6534 5.7260 5.7260 6.0861 6.0861 8.0125 8.0125 8.0952 8.0952 8.8414 8.8414 8.9175 8.9175 9.2680 9.2680 9.3007 9.3007 9.4690 9.4690 9.8622 9.8622 10.5413 10.5413 10.5844 10.5844 13.0112 13.0112 13.0402 13.0402 13.9247 13.9247 k = 0.2051 0.2233 1.5577 ( 6546 PWs) bands (ev): -18.1876 -18.1876 -18.1873 -18.1873 -14.8110 -14.8110 -14.8094 -14.8094 -9.6031 -9.6031 -5.0700 -5.0700 -5.0064 -5.0064 -3.7858 -3.7858 -3.5000 -3.5000 -3.2072 -3.2072 -3.1716 -3.1716 -2.9763 -2.9763 -2.9074 -2.9074 2.4745 2.4745 2.5287 2.5287 3.2913 3.2913 3.3942 3.3942 3.9624 3.9624 3.9762 3.9762 4.3470 4.3470 4.3554 4.3554 4.5432 4.5432 4.9802 4.9802 5.1078 5.1078 5.1833 5.1833 5.6475 5.6475 5.7139 5.7139 6.0751 6.0751 8.0077 8.0077 8.0907 8.0907 8.8368 8.8368 8.9225 8.9225 9.2768 9.2768 9.3093 9.3093 9.4796 9.4796 9.8595 9.8595 10.5614 10.5614 10.6004 10.6004 12.9889 12.9889 13.0723 13.0723 13.9425 13.9425 k = 0.2115 0.2023 1.5796 ( 6544 PWs) bands (ev): -18.1858 -18.1858 -18.1855 -18.1855 -14.8128 -14.8128 -14.8114 -14.8114 -9.5997 -9.5997 -5.0658 -5.0658 -5.0096 -5.0096 -3.7708 -3.7708 -3.4789 -3.4789 -3.2150 -3.2150 -3.1877 -3.1877 -2.9893 -2.9893 -2.9241 -2.9241 2.4657 2.4657 2.5061 2.5061 3.2899 3.2899 3.3923 3.3923 3.9648 3.9648 3.9782 3.9782 4.3550 4.3550 4.3616 4.3616 4.5466 4.5466 4.9842 4.9842 5.1074 5.1074 5.1699 5.1699 5.6416 5.6416 5.7038 5.7038 6.0654 6.0654 8.0035 8.0035 8.0867 8.0867 8.8329 8.8329 8.9266 8.9266 9.2845 9.2845 9.3169 9.3169 9.4892 9.4892 9.8571 9.8571 10.5787 10.5787 10.6148 10.6148 12.9684 12.9684 13.1028 13.1028 13.9589 13.9589 k = 0.2179 0.1813 1.6015 ( 6544 PWs) bands (ev): -18.1843 -18.1843 -18.1839 -18.1839 -14.8143 -14.8143 -14.8131 -14.8131 -9.5968 -9.5968 -5.0614 -5.0614 -5.0133 -5.0133 -3.7571 -3.7571 -3.4580 -3.4580 -3.2237 -3.2237 -3.2028 -3.2028 -2.9995 -2.9995 -2.9396 -2.9396 2.4580 2.4580 2.4869 2.4869 3.2887 3.2887 3.3909 3.3909 3.9666 3.9666 3.9793 3.9793 4.3622 4.3622 4.3672 4.3672 4.5495 4.5495 4.9882 4.9882 5.1063 5.1063 5.1584 5.1584 5.6360 5.6360 5.6958 5.6958 6.0572 6.0572 8.0000 8.0000 8.0833 8.0833 8.8296 8.8296 8.9299 8.9299 9.2910 9.2910 9.3235 9.3235 9.4975 9.4975 9.8549 9.8549 10.5932 10.5932 10.6275 10.6275 12.9503 12.9503 13.1305 13.1305 13.9736 13.9736 k = 0.2244 0.1603 1.6235 ( 6544 PWs) bands (ev): -18.1830 -18.1830 -18.1827 -18.1827 -14.8155 -14.8155 -14.8145 -14.8145 -9.5944 -9.5944 -5.0569 -5.0569 -5.0171 -5.0171 -3.7451 -3.7451 -3.4377 -3.4377 -3.2328 -3.2328 -3.2169 -3.2169 -3.0066 -3.0066 -2.9537 -2.9537 2.4516 2.4516 2.4713 2.4713 3.2879 3.2879 3.3898 3.3898 3.9681 3.9681 3.9797 3.9797 4.3683 4.3683 4.3720 4.3720 4.5520 4.5520 4.9921 4.9921 5.1045 5.1045 5.1491 5.1491 5.6307 5.6307 5.6897 5.6897 6.0504 6.0504 7.9971 7.9971 8.0805 8.0805 8.8269 8.8269 8.9324 8.9324 9.2963 9.2963 9.3289 9.3289 9.5045 9.5045 9.8530 9.8530 10.6050 10.6050 10.6381 10.6381 12.9351 12.9351 13.1548 13.1548 13.9864 13.9864 k = 0.2308 0.1393 1.6454 ( 6546 PWs) bands (ev): -18.1820 -18.1820 -18.1816 -18.1816 -14.8164 -14.8164 -14.8157 -14.8157 -9.5925 -9.5925 -5.0525 -5.0525 -5.0211 -5.0211 -3.7352 -3.7352 -3.4189 -3.4189 -3.2417 -3.2417 -3.2297 -3.2297 -3.0106 -3.0106 -2.9664 -2.9664 2.4461 2.4461 2.4595 2.4595 3.2872 3.2872 3.3891 3.3891 3.9693 3.9693 3.9798 3.9798 4.3733 4.3733 4.3759 4.3759 4.5540 4.5540 4.9957 4.9957 5.1023 5.1023 5.1422 5.1422 5.6263 5.6263 5.6852 5.6852 6.0450 6.0450 7.9947 7.9947 8.0783 8.0783 8.8249 8.8249 8.9344 8.9344 9.3005 9.3005 9.3332 9.3332 9.5100 9.5100 9.8515 9.8515 10.6141 10.6141 10.6466 10.6466 12.9230 12.9230 13.1748 13.1748 13.9968 13.9968 k = 0.2372 0.1183 1.6674 ( 6552 PWs) bands (ev): -18.1813 -18.1813 -18.1809 -18.1809 -14.8170 -14.8170 -14.8165 -14.8165 -9.5912 -9.5912 -5.0484 -5.0484 -5.0250 -5.0250 -3.7278 -3.7278 -3.4027 -3.4027 -3.2501 -3.2501 -3.2400 -3.2400 -3.0119 -3.0119 -2.9769 -2.9769 2.4416 2.4416 2.4517 2.4517 3.2868 3.2868 3.3886 3.3886 3.9701 3.9701 3.9796 3.9796 4.3770 4.3770 4.3786 4.3786 4.5555 4.5555 4.9986 4.9986 5.0999 5.0999 5.1376 5.1376 5.6229 5.6229 5.6822 5.6822 6.0412 6.0412 7.9931 7.9931 8.0767 8.0767 8.8234 8.8234 8.9357 8.9357 9.3035 9.3035 9.3363 9.3363 9.5140 9.5140 9.8504 9.8504 10.6206 10.6206 10.6527 10.6527 12.9142 12.9142 13.1898 13.1898 14.0046 14.0046 k = 0.2436 0.0974 1.6893 ( 6558 PWs) bands (ev): -18.1808 -18.1808 -18.1805 -18.1805 -14.8173 -14.8173 -14.8171 -14.8171 -9.5903 -9.5903 -5.0448 -5.0448 -5.0283 -5.0283 -3.7232 -3.7232 -3.3913 -3.3913 -3.2571 -3.2571 -3.2461 -3.2461 -3.0113 -3.0113 -2.9846 -2.9846 2.4383 2.4383 2.4476 2.4476 3.2865 3.2865 3.3883 3.3883 3.9707 3.9707 3.9794 3.9794 4.3794 4.3794 4.3802 4.3802 4.5564 4.5564 5.0005 5.0005 5.0980 5.0980 5.1351 5.1351 5.6208 5.6208 5.6805 5.6805 6.0389 6.0389 7.9920 7.9920 8.0758 8.0758 8.8225 8.8225 8.9365 8.9365 9.3053 9.3053 9.3382 9.3382 9.5164 9.5164 9.8498 9.8498 10.6245 10.6245 10.6564 10.6564 12.9088 12.9088 13.1991 13.1991 14.0094 14.0094 k = 0.2500 0.0764 1.7112 ( 6564 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7217 -3.7217 -3.3871 -3.3871 -3.2599 -3.2599 -3.2480 -3.2480 -3.0106 -3.0106 -2.9876 -2.9876 2.4371 2.4371 2.4463 2.4463 3.2864 3.2864 3.3882 3.3882 3.9709 3.9709 3.9793 3.9793 4.3803 4.3803 4.3806 4.3806 4.5567 4.5567 5.0012 5.0012 5.0973 5.0973 5.1343 5.1343 5.6200 5.6200 5.6799 5.6799 6.0381 6.0381 7.9917 7.9917 8.0754 8.0754 8.8222 8.8222 8.9367 8.9367 9.3059 9.3059 9.3388 9.3388 9.5172 9.5172 9.8496 9.8496 10.6258 10.6258 10.6576 10.6576 12.9071 12.9071 13.2022 13.2022 14.0110 14.0110 k = 0.2500 0.0764 1.7112 ( 6564 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7217 -3.7217 -3.3871 -3.3871 -3.2599 -3.2599 -3.2480 -3.2480 -3.0106 -3.0106 -2.9876 -2.9876 2.4371 2.4371 2.4463 2.4463 3.2864 3.2864 3.3882 3.3882 3.9709 3.9709 3.9793 3.9793 4.3803 4.3803 4.3806 4.3806 4.5567 4.5567 5.0012 5.0012 5.0973 5.0973 5.1343 5.1343 5.6200 5.6200 5.6799 5.6799 6.0381 6.0381 7.9917 7.9917 8.0754 8.0754 8.8222 8.8222 8.9367 8.9367 9.3059 9.3059 9.3388 9.3388 9.5172 9.5172 9.8496 9.8496 10.6258 10.6258 10.6576 10.6576 12.9071 12.9071 13.2022 13.2022 14.0110 14.0110 k = 0.2778 0.0849 1.7024 ( 6560 PWs) bands (ev): -18.1807 -18.1807 -18.1804 -18.1804 -14.8174 -14.8174 -14.8173 -14.8173 -9.5901 -9.5901 -5.0434 -5.0434 -5.0297 -5.0297 -3.7218 -3.7218 -3.3875 -3.3875 -3.2598 -3.2598 -3.2478 -3.2478 -3.0107 -3.0107 -2.9873 -2.9873 2.4370 2.4370 2.4466 2.4466 3.2870 3.2870 3.3875 3.3875 3.9703 3.9703 3.9798 3.9798 4.3802 4.3802 4.3806 4.3806 4.5571 4.5571 5.0009 5.0009 5.0967 5.0967 5.1351 5.1351 5.6193 5.6193 5.6806 5.6806 6.0382 6.0382 7.9917 7.9917 8.0755 8.0755 8.8223 8.8223 8.9367 8.9367 9.3058 9.3058 9.3388 9.3388 9.5172 9.5172 9.8496 9.8496 10.6257 10.6257 10.6575 10.6575 12.9052 12.9052 13.2059 13.2059 14.0072 14.0072 k = 0.3056 0.0934 1.6935 ( 6555 PWs) bands (ev): -18.1807 -18.1807 -18.1804 -18.1804 -14.8174 -14.8174 -14.8173 -14.8173 -9.5901 -9.5901 -5.0438 -5.0438 -5.0293 -5.0293 -3.7222 -3.7222 -3.3884 -3.3884 -3.2592 -3.2592 -3.2472 -3.2472 -3.0111 -3.0111 -2.9863 -2.9863 2.4365 2.4365 2.4477 2.4477 3.2888 3.2888 3.3855 3.3855 3.9690 3.9690 3.9810 3.9810 4.3799 4.3799 4.3805 4.3805 4.5581 4.5581 5.0001 5.0001 5.0949 5.0949 5.1373 5.1373 5.6174 5.6174 5.6825 5.6825 6.0385 6.0385 7.9918 7.9918 8.0756 8.0756 8.8223 8.8223 8.9367 8.9367 9.3056 9.3056 9.3387 9.3387 9.5170 9.5170 9.8497 9.8497 10.6254 10.6254 10.6572 10.6572 12.9002 12.9002 13.2164 13.2164 13.9963 13.9963 k = 0.3333 0.1018 1.6846 ( 6557 PWs) bands (ev): -18.1808 -18.1808 -18.1805 -18.1805 -14.8174 -14.8174 -14.8172 -14.8172 -9.5903 -9.5903 -5.0445 -5.0445 -5.0286 -5.0286 -3.7229 -3.7229 -3.3899 -3.3899 -3.2585 -3.2585 -3.2463 -3.2463 -3.0118 -3.0118 -2.9846 -2.9846 2.4360 2.4360 2.4492 2.4492 3.2917 3.2917 3.3823 3.3823 3.9674 3.9674 3.9826 3.9826 4.3794 4.3794 4.3805 4.3805 4.5597 4.5597 4.9989 4.9989 5.0924 5.0924 5.1404 5.1404 5.6148 5.6148 5.6851 5.6851 6.0390 6.0390 7.9919 7.9919 8.0758 8.0758 8.8224 8.8224 8.9365 8.9365 9.3053 9.3053 9.3384 9.3384 9.5167 9.5167 9.8498 9.8498 10.6249 10.6249 10.6568 10.6568 12.8931 12.8931 13.2321 13.2321 13.9793 13.9793 k = 0.3611 0.1103 1.6757 ( 6559 PWs) bands (ev): -18.1808 -18.1808 -18.1806 -18.1806 -14.8173 -14.8173 -14.8170 -14.8170 -9.5904 -9.5904 -5.0453 -5.0453 -5.0278 -5.0278 -3.7238 -3.7238 -3.3916 -3.3916 -3.2578 -3.2578 -3.2449 -3.2449 -3.0128 -3.0128 -2.9823 -2.9823 2.4357 2.4357 2.4509 2.4509 3.2955 3.2955 3.3781 3.3781 3.9656 3.9656 3.9842 3.9842 4.3787 4.3787 4.3804 4.3804 4.5617 4.5617 4.9974 4.9974 5.0899 5.0899 5.1438 5.1438 5.6121 5.6121 5.6879 5.6879 6.0397 6.0397 7.9921 7.9921 8.0760 8.0760 8.8226 8.8226 8.9364 8.9364 9.3050 9.3050 9.3381 9.3381 9.5162 9.5162 9.8500 9.8500 10.6241 10.6241 10.6561 10.6561 12.8853 12.8853 13.2511 13.2511 13.9576 13.9576 k = 0.3889 0.1188 1.6669 ( 6559 PWs) bands (ev): -18.1809 -18.1809 -18.1807 -18.1807 -14.8173 -14.8173 -14.8169 -14.8169 -9.5906 -9.5906 -5.0463 -5.0463 -5.0269 -5.0269 -3.7250 -3.7250 -3.3937 -3.3937 -3.2572 -3.2572 -3.2430 -3.2430 -3.0138 -3.0138 -2.9794 -2.9794 2.4356 2.4356 2.4528 2.4528 3.3002 3.3002 3.3731 3.3731 3.9639 3.9639 3.9856 3.9856 4.3778 4.3778 4.3803 4.3803 4.5637 4.5637 4.9958 4.9958 5.0877 5.0877 5.1470 5.1470 5.6095 5.6095 5.6906 5.6906 6.0405 6.0405 7.9924 7.9924 8.0762 8.0762 8.8228 8.8228 8.9362 8.9362 9.3044 9.3044 9.3377 9.3377 9.5156 9.5156 9.8502 9.8502 10.6232 10.6232 10.6552 10.6552 12.8779 12.8779 13.2711 13.2711 13.9333 13.9333 k = 0.4167 0.1273 1.6580 ( 6550 PWs) bands (ev): -18.1811 -18.1811 -18.1808 -18.1808 -14.8172 -14.8172 -14.8167 -14.8167 -9.5909 -9.5909 -5.0474 -5.0474 -5.0258 -5.0258 -3.7265 -3.7265 -3.3960 -3.3960 -3.2566 -3.2566 -3.2409 -3.2409 -3.0149 -3.0149 -2.9760 -2.9760 2.4359 2.4359 2.4546 2.4546 3.3054 3.3054 3.3679 3.3679 3.9624 3.9624 3.9869 3.9869 4.3767 4.3767 4.3802 4.3802 4.5655 4.5655 4.9941 4.9941 5.0861 5.0861 5.1498 5.1498 5.6076 5.6076 5.6930 5.6930 6.0415 6.0415 7.9927 7.9927 8.0765 8.0765 8.8231 8.8231 8.9360 8.9360 9.3038 9.3038 9.3372 9.3372 9.5149 9.5149 9.8506 9.8506 10.6221 10.6221 10.6542 10.6542 12.8718 12.8718 13.2899 13.2899 13.9088 13.9088 k = 0.4444 0.1358 1.6491 ( 6546 PWs) bands (ev): -18.1813 -18.1813 -18.1809 -18.1809 -14.8171 -14.8171 -14.8165 -14.8165 -9.5912 -9.5912 -5.0486 -5.0486 -5.0247 -5.0247 -3.7282 -3.7282 -3.3985 -3.3985 -3.2559 -3.2559 -3.2386 -3.2386 -3.0159 -3.0159 -2.9723 -2.9723 2.4366 2.4366 2.4564 2.4564 3.3104 3.3104 3.3630 3.3630 3.9610 3.9610 3.9879 3.9879 4.3754 4.3754 4.3801 4.3801 4.5668 4.5668 4.9925 4.9925 5.0853 5.0853 5.1520 5.1520 5.6066 5.6066 5.6949 5.6949 6.0425 6.0425 7.9931 7.9931 8.0769 8.0769 8.8234 8.8234 8.9357 8.9357 9.3030 9.3030 9.3367 9.3367 9.5140 9.5140 9.8510 9.8510 10.6209 10.6209 10.6529 10.6529 12.8677 12.8677 13.3049 13.3049 13.8869 13.8869 k = 0.4722 0.1443 1.6402 ( 6553 PWs) bands (ev): -18.1816 -18.1816 -18.1809 -18.1809 -14.8169 -14.8169 -14.8162 -14.8162 -9.5915 -9.5915 -5.0499 -5.0499 -5.0236 -5.0236 -3.7302 -3.7302 -3.4014 -3.4014 -3.2548 -3.2548 -3.2363 -3.2363 -3.0168 -3.0168 -2.9683 -2.9683 2.4378 2.4378 2.4581 2.4581 3.3146 3.3146 3.3592 3.3592 3.9600 3.9600 3.9886 3.9886 4.3739 4.3739 4.3800 4.3800 4.5675 4.5675 4.9913 4.9913 5.0854 5.0854 5.1534 5.1534 5.6066 5.6066 5.6961 5.6961 6.0437 6.0437 7.9936 7.9936 8.0773 8.0773 8.8238 8.8238 8.9354 8.9354 9.3021 9.3021 9.3361 9.3361 9.5130 9.5130 9.8514 9.8514 10.6194 10.6194 10.6515 10.6515 12.8661 12.8661 13.3136 13.3136 13.8702 13.8702 k = 0.5000 0.1528 1.6314 ( 6548 PWs) bands (ev): -18.1819 -18.1819 -18.1810 -18.1810 -14.8168 -14.8168 -14.8160 -14.8160 -9.5919 -9.5919 -5.0511 -5.0511 -5.0224 -5.0224 -3.7324 -3.7324 -3.4046 -3.4046 -3.2530 -3.2530 -3.2341 -3.2341 -3.0174 -3.0174 -2.9641 -2.9641 2.4395 2.4395 2.4597 2.4597 3.3167 3.3167 3.3579 3.3579 3.9592 3.9592 3.9890 3.9890 4.3721 4.3721 4.3799 4.3799 4.5673 4.5673 4.9905 4.9905 5.0863 5.0863 5.1540 5.1540 5.6077 5.6077 5.6966 5.6966 6.0449 6.0449 7.9941 7.9941 8.0778 8.0778 8.8242 8.8242 8.9350 8.9350 9.3010 9.3010 9.3355 9.3355 9.5119 9.5119 9.8519 9.8519 10.6177 10.6177 10.6499 10.6499 12.8673 12.8673 13.3142 13.3142 13.8612 13.8612 k = 0.5000 0.1528 1.6314 ( 6548 PWs) bands (ev): -18.1819 -18.1819 -18.1810 -18.1810 -14.8168 -14.8168 -14.8160 -14.8160 -9.5919 -9.5919 -5.0511 -5.0511 -5.0224 -5.0224 -3.7324 -3.7324 -3.4046 -3.4046 -3.2530 -3.2530 -3.2341 -3.2341 -3.0174 -3.0174 -2.9641 -2.9641 2.4395 2.4395 2.4597 2.4597 3.3167 3.3167 3.3579 3.3579 3.9592 3.9592 3.9890 3.9890 4.3721 4.3721 4.3799 4.3799 4.5673 4.5673 4.9905 4.9905 5.0863 5.0863 5.1540 5.1540 5.6077 5.6077 5.6966 5.6966 6.0449 6.0449 7.9941 7.9941 8.0778 8.0778 8.8242 8.8242 8.9350 8.9350 9.3010 9.3010 9.3355 9.3355 9.5119 9.5119 9.8519 9.8519 10.6177 10.6177 10.6499 10.6499 12.8673 12.8673 13.3142 13.3142 13.8612 13.8612 k = 0.5000 0.1528 1.6000 ( 6556 PWs) bands (ev): -18.1835 -18.1835 -18.1813 -18.1813 -14.8161 -14.8161 -14.8148 -14.8148 -9.5936 -9.5936 -5.0559 -5.0559 -5.0179 -5.0179 -3.7420 -3.7420 -3.4189 -3.4189 -3.2435 -3.2435 -3.2265 -3.2265 -3.0186 -3.0186 -2.9477 -2.9477 2.4476 2.4476 2.4663 2.4663 3.3195 3.3195 3.3586 3.3586 3.9566 3.9566 3.9900 3.9900 4.3645 4.3645 4.3794 4.3794 4.5648 4.5648 4.9878 4.9878 5.0922 5.0922 5.1549 5.1549 5.6149 5.6149 5.6974 5.6974 6.0500 6.0500 7.9963 7.9963 8.0798 8.0798 8.8260 8.8260 8.9334 8.9334 9.2959 9.2959 9.3330 9.3330 9.5068 9.5068 9.8540 9.8540 10.6101 10.6101 10.6426 10.6426 12.8781 12.8781 13.2979 13.2979 13.8413 13.8413 k = 0.5000 0.1528 1.5686 ( 6548 PWs) bands (ev): -18.1854 -18.1854 -18.1817 -18.1817 -14.8152 -14.8152 -14.8132 -14.8132 -9.5958 -9.5958 -5.0610 -5.0610 -5.0133 -5.0133 -3.7539 -3.7539 -3.4360 -3.4360 -3.2306 -3.2306 -3.2183 -3.2183 -3.0186 -3.0186 -2.9285 -2.9285 2.4585 2.4585 2.4749 2.4749 3.3231 3.3231 3.3597 3.3597 3.9532 3.9532 3.9913 3.9913 4.3545 4.3545 4.3787 4.3787 4.5615 4.5615 4.9843 4.9843 5.0998 5.0998 5.1563 5.1563 5.6240 5.6240 5.6985 5.6985 6.0568 6.0568 7.9991 7.9991 8.0828 8.0828 8.8285 8.8285 8.9313 8.9313 9.2883 9.2883 9.3304 9.3304 9.5001 9.5001 9.8567 9.8567 10.6001 10.6001 10.6332 10.6332 12.8921 12.8921 13.2768 13.2768 13.8162 13.8162 k = 0.5000 0.1528 1.5373 ( 6548 PWs) bands (ev): -18.1879 -18.1879 -18.1822 -18.1822 -14.8141 -14.8141 -14.8113 -14.8113 -9.5986 -9.5986 -5.0663 -5.0663 -5.0086 -5.0086 -3.7677 -3.7677 -3.4549 -3.4549 -3.2157 -3.2157 -3.2091 -3.2091 -3.0175 -3.0175 -2.9073 -2.9073 2.4720 2.4720 2.4857 2.4857 3.3275 3.3275 3.3612 3.3612 3.9491 3.9491 3.9925 3.9925 4.3424 4.3424 4.3779 4.3779 4.5577 4.5577 4.9799 4.9799 5.1087 5.1087 5.1585 5.1585 5.6348 5.6348 5.7004 5.7004 6.0652 6.0652 8.0023 8.0023 8.0867 8.0867 8.8315 8.8315 8.9287 8.9287 9.2782 9.2782 9.3281 9.3281 9.4918 9.4918 9.8598 9.8598 10.5877 10.5877 10.6216 10.6216 12.9089 12.9089 13.2514 13.2514 13.7866 13.7866 k = 0.5000 0.1528 1.5059 ( 6538 PWs) bands (ev): -18.1909 -18.1909 -18.1828 -18.1828 -14.8127 -14.8127 -14.8090 -14.8090 -9.6019 -9.6019 -5.0717 -5.0717 -5.0038 -5.0038 -3.7830 -3.7830 -3.4748 -3.4748 -3.2038 -3.2038 -3.1944 -3.1944 -3.0154 -3.0154 -2.8845 -2.8845 2.4882 2.4882 2.4986 2.4986 3.3325 3.3325 3.3634 3.3634 3.9441 3.9441 3.9936 3.9936 4.3281 4.3281 4.3770 4.3770 4.5533 4.5533 4.9747 4.9747 5.1185 5.1185 5.1619 5.1619 5.6465 5.6465 5.7034 5.7034 6.0753 6.0753 8.0056 8.0056 8.0918 8.0918 8.8352 8.8352 8.9256 8.9256 9.2656 9.2656 9.3259 9.3259 9.4819 9.4819 9.8632 9.8632 10.5731 10.5731 10.6081 10.6081 12.9280 12.9280 13.2223 13.2223 13.7536 13.7536 k = 0.5000 0.1528 1.4745 ( 6546 PWs) bands (ev): -18.1942 -18.1942 -18.1835 -18.1835 -14.8112 -14.8112 -14.8064 -14.8064 -9.6058 -9.6058 -5.0772 -5.0772 -4.9989 -4.9989 -3.7994 -3.7994 -3.4950 -3.4950 -3.1947 -3.1947 -3.1749 -3.1749 -3.0124 -3.0124 -2.8606 -2.8606 2.5069 2.5069 2.5138 2.5138 3.3377 3.3377 3.3665 3.3665 3.9383 3.9383 3.9945 3.9945 4.3120 4.3120 4.3760 4.3760 4.5486 4.5486 4.9686 4.9686 5.1284 5.1284 5.1674 5.1674 5.6582 5.6582 5.7085 5.7085 6.0870 6.0870 8.0088 8.0088 8.0982 8.0982 8.8395 8.8395 8.9221 8.9221 9.2505 9.2505 9.3238 9.3238 9.4705 9.4705 9.8668 9.8668 10.5565 10.5565 10.5925 10.5925 12.9486 12.9486 13.1905 13.1905 13.7180 13.7180 k = 0.5000 0.1528 1.4431 ( 6554 PWs) bands (ev): -18.1981 -18.1981 -18.1842 -18.1842 -14.8095 -14.8095 -14.8034 -14.8034 -9.6101 -9.6101 -5.0829 -5.0829 -4.9939 -4.9939 -3.8165 -3.8165 -3.5151 -3.5151 -3.1859 -3.1859 -3.1537 -3.1537 -3.0087 -3.0087 -2.8361 -2.8361 2.5274 2.5274 2.5318 2.5318 3.3428 3.3428 3.3711 3.3711 3.9317 3.9317 3.9949 3.9949 4.2941 4.2941 4.3749 4.3749 4.5436 4.5436 4.9617 4.9617 5.1373 5.1373 5.1760 5.1760 5.6682 5.6682 5.7169 5.7169 6.1004 6.1004 8.0117 8.0117 8.1060 8.1060 8.8443 8.8443 8.9181 8.9181 9.2333 9.2333 9.3217 9.3217 9.4576 9.4576 9.8703 9.8703 10.5380 10.5380 10.5750 10.5750 12.9695 12.9695 13.1571 13.1571 13.6807 13.6807 k = 0.5000 0.1528 1.4118 ( 6542 PWs) bands (ev): -18.2023 -18.2023 -18.1851 -18.1851 -14.8075 -14.8075 -14.8000 -14.8000 -9.6150 -9.6150 -5.0886 -5.0886 -4.9887 -4.9887 -3.8343 -3.8343 -3.5347 -3.5347 -3.1768 -3.1768 -3.1316 -3.1316 -3.0044 -3.0044 -2.8112 -2.8112 2.5480 2.5480 2.5546 2.5546 3.3473 3.3473 3.3776 3.3776 3.9243 3.9243 3.9947 3.9947 4.2746 4.2746 4.3737 4.3737 4.5386 4.5386 4.9539 4.9539 5.1448 5.1448 5.1884 5.1884 5.6755 5.6755 5.7294 5.7294 6.1155 6.1155 8.0141 8.0141 8.1154 8.1154 8.8498 8.8498 8.9137 8.9137 9.2141 9.2141 9.3194 9.3194 9.4435 9.4435 9.8736 9.8736 10.5178 10.5178 10.5558 10.5558 12.9880 12.9880 13.1250 13.1250 13.6426 13.6426 k = 0.5000 0.1528 1.3804 ( 6542 PWs) bands (ev): -18.2070 -18.2070 -18.1860 -18.1860 -14.8054 -14.8054 -14.7963 -14.7963 -9.6203 -9.6203 -5.0943 -5.0943 -4.9835 -4.9835 -3.8524 -3.8524 -3.5535 -3.5535 -3.1674 -3.1674 -3.1089 -3.1089 -2.9994 -2.9994 -2.7863 -2.7863 2.5692 2.5692 2.5813 2.5813 3.3511 3.3511 3.3863 3.3863 3.9161 3.9161 3.9937 3.9937 4.2537 4.2537 4.3726 4.3726 4.5336 4.5336 4.9453 4.9453 5.1510 5.1510 5.2041 5.2041 5.6802 5.6802 5.7456 5.7456 6.1324 6.1324 8.0159 8.0159 8.1264 8.1264 8.8557 8.8557 8.9091 8.9091 9.1930 9.1930 9.3167 9.3167 9.4282 9.4282 9.8764 9.8764 10.4961 10.4961 10.5348 10.5348 12.9968 12.9968 13.1014 13.1014 13.6044 13.6044 k = 0.5000 0.1528 1.3490 ( 6558 PWs) bands (ev): -18.2121 -18.2121 -18.1871 -18.1871 -14.8032 -14.8032 -14.7923 -14.7923 -9.6261 -9.6261 -5.1001 -5.1001 -4.9781 -4.9781 -3.8708 -3.8708 -3.5712 -3.5712 -3.1575 -3.1575 -3.0859 -3.0859 -2.9939 -2.9939 -2.7617 -2.7617 2.5922 2.5922 2.6108 2.6108 3.3542 3.3542 3.3970 3.3970 3.9071 3.9071 3.9917 3.9917 4.2315 4.2315 4.3713 4.3713 4.5287 4.5287 4.9358 4.9358 5.1569 5.1569 5.2225 5.2225 5.6834 5.6834 5.7641 5.7641 6.1513 6.1513 8.0170 8.0170 8.1389 8.1389 8.8620 8.8620 8.9043 8.9043 9.1704 9.1704 9.3133 9.3133 9.4120 9.4120 9.8785 9.8785 10.4730 10.4730 10.5122 10.5122 12.9842 12.9842 13.0980 13.0980 13.5667 13.5667 k = 0.5000 0.1528 1.3176 ( 6556 PWs) bands (ev): -18.2175 -18.2175 -18.1882 -18.1882 -14.8007 -14.8007 -14.7880 -14.7880 -9.6323 -9.6323 -5.1059 -5.1059 -4.9725 -4.9725 -3.8893 -3.8893 -3.5878 -3.5878 -3.1472 -3.1472 -3.0629 -3.0629 -2.9879 -2.9879 -2.7375 -2.7375 2.6170 2.6170 2.6430 2.6430 3.3570 3.3570 3.4095 3.4095 3.8973 3.8973 3.9886 3.9886 4.2082 4.2082 4.3701 4.3701 4.5240 4.5240 4.9256 4.9256 5.1630 5.1630 5.2431 5.2431 5.6856 5.6856 5.7839 5.7839 6.1723 6.1723 8.0172 8.0172 8.1530 8.1530 8.8683 8.8683 8.8997 8.8997 9.1464 9.1464 9.3089 9.3089 9.3954 9.3954 9.8796 9.8796 10.4486 10.4486 10.4882 10.4882 12.9525 12.9525 13.1123 13.1123 13.5301 13.5301 k = 0.5000 0.1528 1.2863 ( 6550 PWs) bands (ev): -18.2233 -18.2233 -18.1894 -18.1894 -14.7981 -14.7981 -14.7834 -14.7834 -9.6390 -9.6390 -5.1116 -5.1116 -4.9668 -4.9668 -3.9078 -3.9078 -3.6030 -3.6030 -3.1365 -3.1365 -3.0401 -3.0401 -2.9814 -2.9814 -2.7140 -2.7140 2.6435 2.6435 2.6778 2.6778 3.3596 3.3596 3.4237 3.4237 3.8866 3.8866 3.9841 3.9841 4.1841 4.1841 4.3689 4.3689 4.5198 4.5198 4.9145 4.9145 5.1697 5.1697 5.2655 5.2655 5.6874 5.6874 5.8040 5.8040 6.1955 6.1955 8.0166 8.0166 8.1686 8.1686 8.8735 8.8735 8.8966 8.8966 9.1212 9.1212 9.3028 9.3028 9.3791 9.3791 9.8794 9.8794 10.4228 10.4228 10.4631 10.4631 12.9125 12.9125 13.1336 13.1336 13.4950 13.4950 k = 0.5000 0.1528 1.2549 ( 6550 PWs) bands (ev): -18.2295 -18.2295 -18.1906 -18.1906 -14.7954 -14.7954 -14.7785 -14.7785 -9.6460 -9.6460 -5.1171 -5.1171 -4.9608 -4.9608 -3.9263 -3.9263 -3.6167 -3.6167 -3.1253 -3.1253 -3.0177 -3.0177 -2.9745 -2.9745 -2.6912 -2.6912 2.6719 2.6719 2.7150 2.7150 3.3623 3.3623 3.4394 3.4394 3.8752 3.8752 3.9781 3.9781 4.1592 4.1592 4.3676 4.3676 4.5160 4.5160 4.9027 4.9027 5.1773 5.1773 5.2895 5.2895 5.6889 5.6889 5.8239 5.8239 6.2211 6.2211 8.0151 8.0151 8.1855 8.1855 8.8748 8.8748 8.8976 8.8976 9.0951 9.0951 9.2940 9.2940 9.3641 9.3641 9.8778 9.8778 10.3953 10.3953 10.4373 10.4373 12.8693 12.8693 13.1566 13.1566 13.4617 13.4617 k = 0.5000 0.1528 1.2235 ( 6552 PWs) bands (ev): -18.2359 -18.2359 -18.1920 -18.1920 -14.7926 -14.7926 -14.7733 -14.7733 -9.6535 -9.6535 -5.1226 -5.1226 -4.9547 -4.9547 -3.9447 -3.9447 -3.6290 -3.6290 -3.1136 -3.1136 -2.9960 -2.9960 -2.9669 -2.9669 -2.6694 -2.6694 2.7019 2.7019 2.7545 2.7545 3.3650 3.3650 3.4567 3.4567 3.8629 3.8629 3.9705 3.9705 4.1337 4.1337 4.3664 4.3664 4.5128 4.5128 4.8901 4.8901 5.1860 5.1860 5.3150 5.3150 5.6903 5.6903 5.8430 5.8430 6.2493 6.2493 8.0125 8.0125 8.2036 8.2036 8.8715 8.8715 8.9035 8.9035 9.0681 9.0681 9.2815 9.2815 9.3515 9.3515 9.8745 9.8745 10.3661 10.3661 10.4113 10.4113 12.8249 12.8249 13.1793 13.1793 13.4305 13.4305 k = 0.5000 0.1528 1.1922 ( 6544 PWs) bands (ev): -18.2426 -18.2426 -18.1934 -18.1934 -14.7896 -14.7896 -14.7678 -14.7678 -9.6612 -9.6612 -5.1278 -5.1278 -4.9484 -4.9484 -3.9630 -3.9630 -3.6398 -3.6398 -3.1015 -3.1015 -2.9759 -2.9759 -2.9582 -2.9582 -2.6487 -2.6487 2.7336 2.7336 2.7962 2.7962 3.3680 3.3680 3.4754 3.4754 3.8500 3.8500 3.9613 3.9613 4.1078 4.1078 4.3652 4.3652 4.5102 4.5102 4.8768 4.8768 5.1959 5.1959 5.3419 5.3419 5.6917 5.6917 5.8608 5.8608 6.2802 6.2802 8.0088 8.0088 8.2229 8.2229 8.8657 8.8657 8.9122 8.9122 9.0407 9.0407 9.2649 9.2649 9.3419 9.3419 9.8693 9.8693 10.3346 10.3346 10.3855 10.3855 12.7804 12.7804 13.2006 13.2006 13.4015 13.4015 k = 0.5000 0.1528 1.1608 ( 6554 PWs) bands (ev): -18.2496 -18.2496 -18.1948 -18.1948 -14.7865 -14.7865 -14.7622 -14.7622 -9.6694 -9.6694 -5.1327 -5.1327 -4.9418 -4.9418 -3.9810 -3.9810 -3.6491 -3.6491 -3.0890 -3.0890 -2.9598 -2.9598 -2.9458 -2.9458 -2.6290 -2.6290 2.7669 2.7669 2.8398 2.8398 3.3712 3.3712 3.4955 3.4955 3.8363 3.8363 3.9503 3.9503 4.0816 4.0816 4.3640 4.3640 4.5084 4.5084 4.8629 4.8629 5.2072 5.2072 5.3702 5.3702 5.6930 5.6930 5.8769 5.8769 6.3138 6.3138 8.0040 8.0040 8.2432 8.2432 8.8589 8.8589 8.9218 8.9218 9.0132 9.0132 9.2447 9.2447 9.3346 9.3346 9.8621 9.8621 10.3009 10.3009 10.3603 10.3603 12.7367 12.7367 13.2197 13.2197 13.3749 13.3749 k = 0.5000 0.1528 1.1294 ( 6550 PWs) bands (ev): -18.2569 -18.2569 -18.1964 -18.1964 -14.7834 -14.7834 -14.7563 -14.7563 -9.6778 -9.6778 -5.1373 -5.1373 -4.9351 -4.9351 -3.9987 -3.9987 -3.6570 -3.6570 -3.0761 -3.0761 -2.9492 -2.9492 -2.9284 -2.9284 -2.6104 -2.6104 2.8016 2.8016 2.8851 2.8851 3.3748 3.3748 3.5171 3.5171 3.8220 3.8220 3.9375 3.9375 4.0554 4.0554 4.3628 4.3628 4.5073 4.5073 4.8483 4.8483 5.2199 5.2199 5.3999 5.3999 5.6944 5.6944 5.8911 5.8911 6.3501 6.3501 7.9980 7.9980 8.2645 8.2645 8.8513 8.8513 8.9309 8.9309 8.9869 8.9869 9.2218 9.2218 9.3289 9.3289 9.8528 9.8528 10.2649 10.2649 10.3358 10.3358 12.6942 12.6942 13.2362 13.2362 13.3506 13.3506 k = 0.5000 0.1528 1.0980 ( 6546 PWs) bands (ev): -18.2643 -18.2643 -18.1979 -18.1979 -14.7801 -14.7801 -14.7502 -14.7502 -9.6864 -9.6864 -5.1416 -5.1416 -4.9281 -4.9281 -4.0161 -4.0161 -3.6635 -3.6635 -3.0630 -3.0630 -2.9406 -2.9406 -2.9098 -2.9098 -2.5931 -2.5931 2.8378 2.8378 2.9318 2.9318 3.3788 3.3788 3.5401 3.5401 3.8070 3.8070 3.9229 3.9229 4.0292 4.0292 4.3616 4.3616 4.5070 4.5070 4.8331 4.8331 5.2341 5.2341 5.4308 5.4308 5.6959 5.6959 5.9033 5.9033 6.3890 6.3890 7.9906 7.9906 8.2866 8.2866 8.8433 8.8433 8.9337 8.9337 8.9678 8.9678 9.1972 9.1972 9.3242 9.3242 9.8413 9.8413 10.2267 10.2267 10.3119 10.3119 12.6537 12.6537 13.2494 13.2494 13.3287 13.3287 k = 0.5000 0.1528 1.0667 ( 6536 PWs) bands (ev): -18.2719 -18.2719 -18.1996 -18.1996 -14.7768 -14.7768 -14.7439 -14.7439 -9.6953 -9.6953 -5.1454 -5.1454 -4.9209 -4.9209 -4.0330 -4.0330 -3.6687 -3.6687 -3.0496 -3.0496 -2.9325 -2.9325 -2.8913 -2.8913 -2.5770 -2.5770 2.8753 2.8753 2.9796 2.9796 3.3833 3.3833 3.5644 3.5644 3.7915 3.7915 3.9068 3.9068 4.0033 4.0033 4.3604 4.3604 4.5076 4.5076 4.8175 4.8175 5.2498 5.2498 5.4629 5.4629 5.6974 5.6974 5.9132 5.9132 6.4301 6.4301 7.9817 7.9817 8.3095 8.3095 8.8348 8.8348 8.9171 8.9171 8.9690 8.9690 9.1713 9.1713 9.3201 9.3201 9.8276 9.8276 10.1865 10.1865 10.2887 10.2887 12.6157 12.6157 13.2589 13.2589 13.3093 13.3093 k = 0.5000 0.1528 1.0353 ( 6546 PWs) bands (ev): -18.2797 -18.2797 -18.2012 -18.2012 -14.7735 -14.7735 -14.7375 -14.7375 -9.7045 -9.7045 -5.1488 -5.1488 -4.9135 -4.9135 -4.0495 -4.0495 -3.6728 -3.6728 -3.0361 -3.0361 -2.9245 -2.9245 -2.8736 -2.8736 -2.5621 -2.5621 2.9139 2.9139 3.0279 3.0279 3.3885 3.3885 3.5900 3.5900 3.7754 3.7754 3.8891 3.8891 3.9778 3.9778 4.3592 4.3592 4.5091 4.5091 4.8014 4.8014 5.2673 5.2673 5.4964 5.4964 5.6989 5.6989 5.9209 5.9209 6.4734 6.4734 7.9714 7.9714 8.3329 8.3329 8.8256 8.8256 8.8918 8.8918 8.9800 8.9800 9.1448 9.1448 9.3161 9.3161 9.8119 9.8119 10.1443 10.1443 10.2659 10.2659 12.5807 12.5807 13.2640 13.2640 13.2930 13.2930 k = 0.5000 0.1528 1.0039 ( 6546 PWs) bands (ev): -18.2876 -18.2876 -18.2029 -18.2029 -14.7701 -14.7701 -14.7309 -14.7309 -9.7138 -9.7138 -5.1517 -5.1517 -4.9058 -4.9058 -4.0655 -4.0655 -3.6757 -3.6757 -3.0225 -3.0225 -2.9166 -2.9166 -2.8566 -2.8566 -2.5483 -2.5483 2.9536 2.9536 3.0763 3.0763 3.3945 3.3945 3.6168 3.6168 3.7589 3.7589 3.8703 3.8703 3.9527 3.9527 4.3579 4.3579 4.5116 4.5116 4.7849 4.7849 5.2864 5.2864 5.5310 5.5310 5.7006 5.7006 5.9264 5.9264 6.5183 6.5183 7.9596 7.9596 8.3569 8.3569 8.8152 8.8152 8.8658 8.8658 8.9930 8.9930 9.1182 9.1182 9.3122 9.3122 9.7943 9.7943 10.1003 10.1003 10.2434 10.2434 12.5493 12.5493 13.2630 13.2630 13.2817 13.2817 k = 0.5000 0.1528 0.9725 ( 6542 PWs) bands (ev): -18.2956 -18.2956 -18.2047 -18.2047 -14.7667 -14.7667 -14.7243 -14.7243 -9.7232 -9.7232 -5.1539 -5.1539 -4.8980 -4.8980 -4.0809 -4.0809 -3.6777 -3.6777 -3.0091 -3.0091 -2.9087 -2.9087 -2.8404 -2.8404 -2.5357 -2.5357 2.9942 2.9942 3.1239 3.1239 3.4016 3.4016 3.6448 3.6448 3.7420 3.7420 3.8507 3.8507 3.9282 3.9282 4.3566 4.3566 4.5152 4.5152 4.7682 4.7682 5.3073 5.3073 5.5669 5.5669 5.7023 5.7023 5.9297 5.9297 6.5646 6.5646 7.9461 7.9461 8.3812 8.3812 8.8023 8.8023 8.8418 8.8418 9.0060 9.0060 9.0928 9.0928 9.3082 9.3082 9.7751 9.7751 10.0547 10.0547 10.2212 10.2212 12.5220 12.5220 13.2559 13.2559 13.2757 13.2757 k = 0.5000 0.1528 0.9412 ( 6544 PWs) bands (ev): -18.3037 -18.3037 -18.2064 -18.2064 -14.7633 -14.7633 -14.7175 -14.7175 -9.7328 -9.7328 -5.1556 -5.1556 -4.8901 -4.8901 -4.0956 -4.0956 -3.6788 -3.6788 -2.9959 -2.9959 -2.9007 -2.9007 -2.8251 -2.8251 -2.5242 -2.5242 3.0355 3.0355 3.1698 3.1698 3.4102 3.4102 3.6736 3.6736 3.7248 3.7248 3.8307 3.8307 3.9044 3.9044 4.3553 4.3553 4.5198 4.5198 4.7513 4.7513 5.3301 5.3301 5.6039 5.6039 5.7042 5.7042 5.9310 5.9310 6.6117 6.6117 7.9311 7.9311 8.4059 8.4059 8.7848 8.7848 8.8223 8.8223 9.0146 9.0146 9.0726 9.0726 9.3041 9.3041 9.7545 9.7545 10.0077 10.0077 10.1990 10.1990 12.4992 12.4992 13.2479 13.2479 13.2699 13.2699 k = 0.5000 0.1528 0.9098 ( 6540 PWs) bands (ev): -18.3118 -18.3118 -18.2082 -18.2082 -14.7599 -14.7599 -14.7106 -14.7106 -9.7424 -9.7424 -5.1566 -5.1566 -4.8819 -4.8819 -4.1097 -4.1097 -3.6791 -3.6791 -2.9833 -2.9833 -2.8925 -2.8925 -2.8106 -2.8106 -2.5136 -2.5136 3.0774 3.0774 3.2126 3.2126 3.4208 3.4208 3.7005 3.7005 3.7100 3.7100 3.8111 3.8111 3.8816 3.8816 4.3539 4.3539 4.5256 4.5256 4.7342 4.7342 5.3549 5.3549 5.6421 5.6421 5.7061 5.7061 5.9303 5.9303 6.6593 6.6593 7.9146 7.9146 8.4306 8.4306 8.7623 8.7623 8.8080 8.8080 9.0085 9.0085 9.0681 9.0681 9.2998 9.2998 9.7329 9.7329 9.9593 9.9593 10.1767 10.1767 12.4813 12.4813 13.2415 13.2415 13.2616 13.2616 k = 0.5000 0.1528 0.8784 ( 6544 PWs) bands (ev): -18.3200 -18.3200 -18.2100 -18.2100 -14.7565 -14.7565 -14.7037 -14.7037 -9.7521 -9.7521 -5.1570 -5.1570 -4.8738 -4.8738 -4.1230 -4.1230 -3.6788 -3.6788 -2.9714 -2.9714 -2.8839 -2.8839 -2.7971 -2.7971 -2.5040 -2.5040 3.1196 3.1196 3.2508 3.2508 3.4339 3.4339 3.6886 3.6886 3.7338 3.7338 3.7931 3.7931 3.8601 3.8601 4.3524 4.3524 4.5325 4.5325 4.7172 4.7172 5.3818 5.3818 5.6813 5.6813 5.7082 5.7082 5.9278 5.9278 6.7068 6.7068 7.8965 7.8965 8.4554 8.4554 8.7370 8.7370 8.7968 8.7968 8.9877 8.9877 9.0795 9.0795 9.2952 9.2952 9.7106 9.7106 9.9098 9.9098 10.1541 10.1541 12.4686 12.4686 13.2347 13.2347 13.2405 13.2405 k = 0.5000 0.1528 0.8471 ( 6540 PWs) bands (ev): -18.3281 -18.3281 -18.2118 -18.2118 -14.7531 -14.7531 -14.6967 -14.6967 -9.7619 -9.7619 -5.1566 -5.1566 -4.8655 -4.8655 -4.1355 -4.1355 -3.6781 -3.6781 -2.9606 -2.9606 -2.8749 -2.8749 -2.7845 -2.7845 -2.4952 -2.4952 3.1618 3.1618 3.2829 3.2829 3.4498 3.4498 3.6708 3.6708 3.7579 3.7579 3.7823 3.7823 3.8409 3.8409 4.3508 4.3508 4.5407 4.5407 4.7003 4.7003 5.4109 5.4109 5.7099 5.7099 5.7220 5.7220 5.9236 5.9236 6.7536 6.7536 7.8770 7.8770 8.4800 8.4800 8.7107 8.7107 8.7870 8.7870 8.9620 8.9620 9.0971 9.0971 9.2902 9.2902 9.6881 9.6881 9.8593 9.8593 10.1310 10.1310 12.4614 12.4614 13.1320 13.1320 13.2284 13.2284 k = 0.5000 0.1528 0.8157 ( 6536 PWs) bands (ev): -18.3362 -18.3362 -18.2136 -18.2136 -14.7498 -14.7498 -14.6897 -14.6897 -9.7716 -9.7716 -5.1555 -5.1555 -4.8573 -4.8573 -4.1472 -4.1472 -3.6769 -3.6769 -2.9511 -2.9511 -2.8652 -2.8652 -2.7727 -2.7727 -2.4872 -2.4872 3.2036 3.2036 3.3082 3.3082 3.4674 3.4674 3.6529 3.6529 3.7557 3.7557 3.7966 3.7966 3.8287 3.8287 4.3492 4.3492 4.5502 4.5502 4.6837 4.6837 5.4423 5.4423 5.7123 5.7123 5.7631 5.7631 5.9179 5.9179 6.7994 6.7994 7.8560 7.8560 8.5043 8.5043 8.6841 8.6841 8.7779 8.7779 8.9352 8.9352 9.1174 9.1174 9.2848 9.2848 9.6659 9.6659 9.8082 9.8082 10.1075 10.1075 12.4596 12.4596 13.0131 13.0131 13.2134 13.2134 k = 0.5000 0.1528 0.7843 ( 6536 PWs) bands (ev): -18.3443 -18.3443 -18.2154 -18.2154 -14.7465 -14.7465 -14.6828 -14.6828 -9.7813 -9.7813 -5.1537 -5.1537 -4.8492 -4.8492 -4.1579 -4.1579 -3.6755 -3.6755 -2.9431 -2.9431 -2.8548 -2.8548 -2.7618 -2.7618 -2.4797 -2.4797 3.2446 3.2446 3.3270 3.3270 3.4842 3.4842 3.6349 3.6349 3.7470 3.7470 3.7987 3.7987 3.8432 3.8432 4.3475 4.3475 4.5610 4.5610 4.6673 4.6673 5.4762 5.4762 5.7146 5.7146 5.8052 5.8052 5.9110 5.9110 6.8434 6.8434 7.8338 7.8338 8.5281 8.5281 8.6576 8.6576 8.7692 8.7692 8.9084 8.9084 9.1394 9.1394 9.2788 9.2788 9.6442 9.6442 9.7568 9.7568 10.0833 10.0833 12.4632 12.4632 12.8953 12.8953 13.1934 13.1934 k = 0.5000 0.1528 0.7529 ( 6532 PWs) bands (ev): -18.3522 -18.3522 -18.2172 -18.2172 -14.7432 -14.7432 -14.6759 -14.6759 -9.7909 -9.7909 -5.1511 -5.1511 -4.8412 -4.8412 -4.1676 -4.1676 -3.6739 -3.6739 -2.9368 -2.9368 -2.8437 -2.8437 -2.7517 -2.7517 -2.4728 -2.4728 3.2841 3.2841 3.3405 3.3405 3.4965 3.4965 3.6169 3.6169 3.7412 3.7412 3.7927 3.7927 3.8732 3.8732 4.3457 4.3457 4.5733 4.5733 4.6514 4.6514 5.5127 5.5127 5.7171 5.7171 5.8473 5.8473 5.9038 5.9038 6.8852 6.8852 7.8104 7.8104 8.5511 8.5511 8.6314 8.6314 8.7608 8.7608 8.8820 8.8820 9.1628 9.1628 9.2720 9.2720 9.6232 9.6232 9.7059 9.7059 10.0584 10.0584 12.4719 12.4719 12.7798 12.7798 13.1698 13.1698 k = 0.5000 0.1528 0.7216 ( 6524 PWs) bands (ev): -18.3601 -18.3601 -18.2190 -18.2190 -14.7401 -14.7401 -14.6690 -14.6690 -9.8004 -9.8004 -5.1478 -5.1478 -4.8335 -4.8335 -4.1763 -4.1763 -3.6723 -3.6723 -2.9321 -2.9321 -2.8319 -2.8319 -2.7424 -2.7424 -2.4663 -2.4663 3.3213 3.3213 3.3500 3.3500 3.5018 3.5018 3.5992 3.5992 3.7373 3.7373 3.7946 3.7946 3.9053 3.9053 4.3438 4.3438 4.5869 4.5869 4.6363 4.6363 5.5518 5.5518 5.7198 5.7198 5.8800 5.8800 5.9059 5.9059 6.9240 6.9240 7.7860 7.7860 8.5727 8.5727 8.6060 8.6060 8.7527 8.7527 8.8565 8.8565 9.1874 9.1874 9.2643 9.2643 9.6024 9.6024 9.6568 9.6568 10.0327 10.0327 12.4849 12.4849 12.6677 12.6677 13.1425 13.1425 k = 0.5000 0.1528 0.6902 ( 6524 PWs) bands (ev): -18.3678 -18.3678 -18.2207 -18.2207 -14.7370 -14.7370 -14.6622 -14.6622 -9.8097 -9.8097 -5.1436 -5.1436 -4.8262 -4.8262 -4.1838 -4.1838 -3.6708 -3.6708 -2.9290 -2.9290 -2.8197 -2.8197 -2.7338 -2.7338 -2.4601 -2.4601 3.3528 3.3528 3.3589 3.3589 3.4997 3.4997 3.5817 3.5817 3.7340 3.7340 3.8072 3.8072 3.9378 3.9378 4.3419 4.3419 4.6008 4.6008 4.6230 4.6230 5.5933 5.5933 5.7230 5.7230 5.8775 5.8775 5.9430 5.9430 6.9594 6.9594 7.7606 7.7606 8.5775 8.5775 8.5966 8.5966 8.7448 8.7448 8.8321 8.8321 9.2132 9.2132 9.2552 9.2552 9.5777 9.5777 9.6147 9.6147 10.0064 10.0064 12.4967 12.4967 12.5643 12.5643 13.1090 13.1090 k = 0.5000 0.1528 0.6588 ( 6522 PWs) bands (ev): -18.3754 -18.3754 -18.2225 -18.2225 -14.7340 -14.7340 -14.6556 -14.6556 -9.8189 -9.8189 -5.1387 -5.1387 -4.8193 -4.8193 -4.1900 -4.1900 -3.6696 -3.6696 -2.9273 -2.9273 -2.8073 -2.8073 -2.7258 -2.7258 -2.4541 -2.4541 3.3596 3.3596 3.3854 3.3854 3.4917 3.4917 3.5646 3.5646 3.7332 3.7332 3.8282 3.8282 3.9699 3.9699 4.3399 4.3399 4.6024 4.6024 4.6244 4.6244 5.6366 5.6366 5.7274 5.7274 5.8672 5.8672 5.9881 5.9881 6.9908 6.9908 7.7343 7.7343 8.5536 8.5536 8.6150 8.6150 8.7372 8.7372 8.8090 8.8090 9.2401 9.2401 9.2441 9.2441 9.5411 9.5411 9.5890 9.5890 9.9795 9.9795 12.4396 12.4396 12.5371 12.5371 13.0217 13.0217 k = 0.5000 0.1528 0.6275 ( 6528 PWs) bands (ev): -18.3827 -18.3827 -18.2242 -18.2242 -14.7310 -14.7310 -14.6491 -14.6491 -9.8279 -9.8279 -5.1330 -5.1330 -4.8131 -4.8131 -4.1949 -4.1949 -3.6686 -3.6686 -2.9270 -2.9270 -2.7950 -2.7950 -2.7182 -2.7182 -2.4484 -2.4484 3.3614 3.3614 3.4087 3.4087 3.4800 3.4800 3.5479 3.5479 3.7372 3.7372 3.8540 3.8540 4.0012 4.0012 4.3379 4.3379 4.5905 4.5905 4.6418 4.6418 5.6787 5.6787 5.7359 5.7359 5.8556 5.8556 6.0347 6.0347 7.0177 7.0177 7.7074 7.7074 8.5291 8.5291 8.6327 8.6327 8.7299 8.7299 8.7876 8.7876 9.2301 9.2301 9.2681 9.2681 9.4988 9.4988 9.5749 9.5749 9.9522 9.9522 12.3396 12.3396 12.5597 12.5597 12.9189 12.9189 k = 0.5000 0.1528 0.5961 ( 6538 PWs) bands (ev): -18.3899 -18.3899 -18.2258 -18.2258 -14.7282 -14.7282 -14.6427 -14.6427 -9.8366 -9.8366 -5.1266 -5.1266 -4.8077 -4.8077 -4.1984 -4.1984 -3.6682 -3.6682 -2.9278 -2.9278 -2.7832 -2.7832 -2.7110 -2.7110 -2.4427 -2.4427 3.3608 3.3608 3.4252 3.4252 3.4664 3.4664 3.5317 3.5317 3.7476 3.7476 3.8819 3.8819 4.0315 4.0315 4.3358 4.3358 4.5778 4.5778 4.6624 4.6624 5.7078 5.7078 5.7603 5.7603 5.8434 5.8434 6.0822 6.0822 7.0396 7.0396 7.6798 7.6798 8.5049 8.5049 8.6483 8.6483 8.7229 8.7229 8.7679 8.7679 9.2121 9.2121 9.2969 9.2969 9.4589 9.4589 9.5664 9.5664 9.9245 9.9245 12.2404 12.2404 12.5876 12.5876 12.8170 12.8170 k = 0.5000 0.1528 0.5647 ( 6538 PWs) bands (ev): -18.3968 -18.3968 -18.2274 -18.2274 -14.7255 -14.7255 -14.6365 -14.6365 -9.8451 -9.8451 -5.1195 -5.1195 -4.8030 -4.8030 -4.2005 -4.2005 -3.6682 -3.6682 -2.9295 -2.9295 -2.7721 -2.7721 -2.7037 -2.7037 -2.4372 -2.4372 3.3578 3.3578 3.4344 3.4344 3.4528 3.4528 3.5162 3.5162 3.7648 3.7648 3.9102 3.9102 4.0605 4.0605 4.3337 4.3337 4.5656 4.5656 4.6852 4.6852 5.7187 5.7187 5.8053 5.8053 5.8315 5.8315 6.1303 6.1303 7.0562 7.0562 7.6518 7.6518 8.4812 8.4812 8.6612 8.6612 8.7162 8.7162 8.7504 8.7504 9.1890 9.1890 9.3265 9.3265 9.4246 9.4246 9.5621 9.5621 9.8966 9.8966 12.1446 12.1446 12.6177 12.6177 12.7167 12.7167 k = 0.5000 0.1528 0.5333 ( 6542 PWs) bands (ev): -18.4035 -18.4035 -18.2290 -18.2290 -14.7229 -14.7229 -14.6304 -14.6304 -9.8533 -9.8533 -5.1116 -5.1116 -4.7994 -4.7994 -4.2010 -4.2010 -3.6690 -3.6690 -2.9322 -2.9322 -2.7620 -2.7620 -2.6963 -2.6963 -2.4317 -2.4317 3.3523 3.3523 3.4345 3.4345 3.4429 3.4429 3.5014 3.5014 3.7879 3.7879 3.9378 3.9378 4.0879 4.0879 4.3317 4.3317 4.5539 4.5539 4.7099 4.7099 5.7233 5.7233 5.8180 5.8180 5.8608 5.8608 6.1790 6.1790 7.0674 7.0674 7.6233 7.6233 8.4581 8.4581 8.6706 8.6706 8.7098 8.7098 8.7355 8.7355 9.1601 9.1601 9.3556 9.3556 9.3986 9.3986 9.5616 9.5616 9.8688 9.8688 12.0529 12.0529 12.6184 12.6184 12.6486 12.6486 k = 0.5000 0.1528 0.5020 ( 6532 PWs) bands (ev): -18.4099 -18.4099 -18.2305 -18.2305 -14.7204 -14.7204 -14.6246 -14.6246 -9.8612 -9.8612 -5.1031 -5.1031 -4.7969 -4.7969 -4.1999 -4.1999 -3.6704 -3.6704 -2.9355 -2.9355 -2.7531 -2.7531 -2.6885 -2.6885 -2.4264 -2.4264 3.3441 3.3441 3.4248 3.4248 3.4393 3.4393 3.4875 3.4875 3.8156 3.8156 3.9641 3.9641 4.1136 4.1136 4.3297 4.3297 4.5429 4.5429 4.7362 4.7362 5.7261 5.7261 5.8063 5.8063 5.9189 5.9189 6.2279 6.2279 7.0730 7.0730 7.5944 7.5944 8.4356 8.4356 8.6756 8.6756 8.7031 8.7031 8.7243 8.7243 9.1261 9.1261 9.3691 9.3691 9.3960 9.3960 9.5648 9.5648 9.8412 9.8412 11.9655 11.9655 12.5225 12.5225 12.6790 12.6790 k = 0.5000 0.1528 0.4706 ( 6538 PWs) bands (ev): -18.4161 -18.4161 -18.2319 -18.2319 -14.7181 -14.7181 -14.6191 -14.6191 -9.8687 -9.8687 -5.0939 -5.0939 -4.7955 -4.7955 -4.1972 -4.1972 -3.6727 -3.6727 -2.9394 -2.9394 -2.7457 -2.7457 -2.6802 -2.6802 -2.4211 -2.4211 3.3336 3.3336 3.4145 3.4145 3.4344 3.4344 3.4746 3.4746 3.8464 3.8464 3.9889 3.9889 4.1373 4.1373 4.3277 4.3277 4.5324 4.5324 4.7641 4.7641 5.7281 5.7281 5.7951 5.7951 5.9800 5.9800 6.2771 6.2771 7.0731 7.0731 7.5652 7.5652 8.4137 8.4137 8.6757 8.6757 8.6952 8.6952 8.7177 8.7177 9.0888 9.0888 9.3582 9.3582 9.4244 9.4244 9.5716 9.5716 9.8141 9.8141 11.8826 11.8826 12.4292 12.4292 12.7073 12.7073 k = 0.5000 0.1528 0.4392 ( 6538 PWs) bands (ev): -18.4219 -18.4219 -18.2333 -18.2333 -14.7159 -14.7159 -14.6138 -14.6138 -9.8759 -9.8759 -5.0840 -5.0840 -4.7954 -4.7954 -4.1929 -4.1929 -3.6758 -3.6758 -2.9438 -2.9438 -2.7398 -2.7398 -2.6713 -2.6713 -2.4160 -2.4160 3.3214 3.3214 3.4050 3.4050 3.4276 3.4276 3.4628 3.4628 3.8788 3.8788 4.0121 4.0121 4.1591 4.1591 4.3259 4.3259 4.5225 4.5225 4.7931 4.7931 5.7294 5.7294 5.7850 5.7850 6.0431 6.0431 6.3262 6.3262 7.0680 7.0680 7.5357 7.5357 8.3925 8.3925 8.6713 8.6713 8.6864 8.6864 8.7137 8.7137 9.0506 9.0506 9.3491 9.3491 9.4564 9.4564 9.5817 9.5817 9.7877 9.7877 11.8045 11.8045 12.3388 12.3388 12.7288 12.7288 k = 0.5000 0.1528 0.4078 ( 6532 PWs) bands (ev): -18.4274 -18.4274 -18.2346 -18.2346 -14.7138 -14.7138 -14.6088 -14.6088 -9.8827 -9.8827 -5.0736 -5.0736 -4.7966 -4.7966 -4.1872 -4.1872 -3.6798 -3.6798 -2.9484 -2.9484 -2.7351 -2.7351 -2.6621 -2.6621 -2.4111 -2.4111 3.3083 3.3083 3.3961 3.3961 3.4195 3.4195 3.4523 3.4523 3.9119 3.9119 4.0334 4.0334 4.1788 4.1788 4.3243 4.3243 4.5131 4.5131 4.8230 4.8230 5.7299 5.7299 5.7762 5.7762 6.1078 6.1078 6.3750 6.3750 7.0582 7.0582 7.5060 7.5060 8.3721 8.3721 8.6628 8.6628 8.6783 8.6783 8.7097 8.7097 9.0136 9.0136 9.3432 9.3432 9.4891 9.4891 9.5948 9.5948 9.7621 9.7621 11.7313 11.7313 12.2517 12.2517 12.7180 12.7180 k = 0.5000 0.1528 0.3765 ( 6530 PWs) bands (ev): -18.4325 -18.4325 -18.2359 -18.2359 -14.7118 -14.7118 -14.6040 -14.6040 -9.8891 -9.8891 -5.0627 -5.0627 -4.7991 -4.7991 -4.1800 -4.1800 -3.6848 -3.6848 -2.9532 -2.9532 -2.7315 -2.7315 -2.6528 -2.6528 -2.4064 -2.4064 3.2948 3.2948 3.3876 3.3876 3.4106 3.4106 3.4431 3.4431 3.9447 3.9447 4.0532 4.0532 4.1964 4.1964 4.3228 4.3228 4.5041 4.5041 4.8533 4.8533 5.7295 5.7295 5.7693 5.7693 6.1735 6.1735 6.4233 6.4233 7.0441 7.0441 7.4759 7.4759 8.3526 8.3526 8.6503 8.6503 8.6712 8.6712 8.7045 8.7045 8.9799 8.9799 9.3397 9.3397 9.5220 9.5220 9.6106 9.6106 9.7376 9.7376 11.6632 11.6632 12.1680 12.1680 12.6772 12.6772 k = 0.5000 0.1528 0.3451 ( 6542 PWs) bands (ev): -18.4373 -18.4373 -18.2370 -18.2370 -14.7100 -14.7100 -14.5996 -14.5996 -9.8950 -9.8950 -5.0512 -5.0512 -4.8028 -4.8028 -4.1715 -4.1715 -3.6906 -3.6906 -2.9580 -2.9580 -2.7288 -2.7288 -2.6435 -2.6435 -2.4019 -2.4019 3.2817 3.2817 3.3793 3.3793 3.4013 3.4013 3.4352 3.4352 3.9767 3.9767 4.0713 4.0713 4.2120 4.2120 4.3217 4.3217 4.4956 4.4956 4.8836 4.8836 5.7280 5.7280 5.7646 5.7646 6.2395 6.2395 6.4709 6.4709 7.0265 7.0265 7.4455 7.4455 8.3339 8.3339 8.6330 8.6330 8.6651 8.6651 8.6983 8.6983 8.9508 8.9508 9.3380 9.3380 9.5546 9.5546 9.6283 9.6283 9.7143 9.7143 11.6003 11.6003 12.0883 12.0883 12.6325 12.6325 k = 0.5000 0.1528 0.3137 ( 6542 PWs) bands (ev): -18.4418 -18.4418 -18.2381 -18.2381 -14.7083 -14.7083 -14.5955 -14.5955 -9.9005 -9.9005 -5.0393 -5.0393 -4.8078 -4.8078 -4.1620 -4.1620 -3.6972 -3.6972 -2.9627 -2.9627 -2.7267 -2.7267 -2.6345 -2.6345 -2.3977 -2.3977 3.2691 3.2691 3.3712 3.3712 3.3921 3.3921 3.4282 3.4282 4.0073 4.0073 4.0879 4.0879 4.2256 4.2256 4.3209 4.3209 4.4875 4.4875 4.9132 4.9132 5.7258 5.7258 5.7620 5.7620 6.3054 6.3054 6.5173 6.5173 7.0061 7.0061 7.4148 7.4148 8.3162 8.3162 8.6105 8.6105 8.6597 8.6597 8.6922 8.6922 8.9271 8.9271 9.3378 9.3378 9.5867 9.5867 9.6477 9.6477 9.6925 9.6925 11.5427 11.5427 12.0129 12.0129 12.5884 12.5884 k = 0.5000 0.1528 0.2824 ( 6550 PWs) bands (ev): -18.4458 -18.4458 -18.2390 -18.2390 -14.7068 -14.7068 -14.5918 -14.5918 -9.9056 -9.9056 -5.0271 -5.0271 -4.8140 -4.8140 -4.1516 -4.1516 -3.7045 -3.7045 -2.9673 -2.9673 -2.7252 -2.7252 -2.6260 -2.6260 -2.3939 -2.3939 3.2574 3.2574 3.3635 3.3635 3.3832 3.3832 3.4221 3.4221 4.0361 4.0361 4.1031 4.1031 4.2371 4.2371 4.3205 4.3205 4.4798 4.4798 4.9418 4.9418 5.7233 5.7233 5.7610 5.7610 6.3704 6.3704 6.5622 6.5622 6.9837 6.9837 7.3838 7.3838 8.2997 8.2997 8.5832 8.5832 8.6550 8.6550 8.6867 8.6867 8.9082 8.9082 9.3385 9.3385 9.6178 9.6178 9.6672 9.6672 9.6732 9.6732 11.4904 11.4904 11.9422 11.9422 12.5461 12.5461 k = 0.5000 0.1528 0.2510 ( 6542 PWs) bands (ev): -18.4495 -18.4495 -18.2399 -18.2399 -14.7055 -14.7055 -14.5884 -14.5884 -9.9101 -9.9101 -5.0144 -5.0144 -4.8212 -4.8212 -4.1406 -4.1406 -3.7124 -3.7124 -2.9715 -2.9715 -2.7242 -2.7242 -2.6180 -2.6180 -2.3903 -2.3903 3.2467 3.2467 3.3562 3.3562 3.3748 3.3748 3.4167 3.4167 4.0627 4.0627 4.1170 4.1170 4.2467 4.2467 4.3205 4.3205 4.4725 4.4725 4.9687 4.9687 5.7210 5.7210 5.7613 5.7613 6.4338 6.4338 6.6052 6.6052 6.9603 6.9603 7.3524 7.3524 8.2843 8.2843 8.5525 8.5525 8.6509 8.6509 8.6821 8.6821 8.8936 8.8936 9.3398 9.3398 9.6465 9.6465 9.6548 9.6548 9.6890 9.6890 11.4436 11.4436 11.8768 11.8768 12.5063 12.5063 k = 0.5000 0.1528 0.2196 ( 6550 PWs) bands (ev): -18.4527 -18.4527 -18.2407 -18.2407 -14.7043 -14.7043 -14.5854 -14.5854 -9.9142 -9.9142 -5.0015 -5.0015 -4.8295 -4.8295 -4.1293 -4.1293 -3.7206 -3.7206 -2.9754 -2.9754 -2.7234 -2.7234 -2.6108 -2.6108 -2.3872 -2.3872 3.2371 3.2371 3.3495 3.3495 3.3671 3.3671 3.4119 3.4119 4.0867 4.0867 4.1297 4.1297 4.2543 4.2543 4.3211 4.3211 4.4657 4.4657 4.9935 4.9935 5.7193 5.7193 5.7624 5.7624 6.4948 6.4948 6.6459 6.6459 6.9368 6.9368 7.3207 7.3207 8.2704 8.2704 8.5204 8.5204 8.6475 8.6475 8.6783 8.6783 8.8823 8.8823 9.3416 9.3416 9.6368 9.6368 9.6759 9.6759 9.7093 9.7093 11.4022 11.4022 11.8171 11.8171 12.4698 12.4698 k = 0.5000 0.1528 0.1882 ( 6550 PWs) bands (ev): -18.4555 -18.4555 -18.2414 -18.2414 -14.7032 -14.7032 -14.5827 -14.5827 -9.9177 -9.9177 -4.9884 -4.9884 -4.8388 -4.8388 -4.1182 -4.1182 -3.7289 -3.7289 -2.9789 -2.9789 -2.7228 -2.7228 -2.6043 -2.6043 -2.3844 -2.3844 3.2288 3.2288 3.3435 3.3435 3.3602 3.3602 3.4078 3.4078 4.1079 4.1079 4.1411 4.1411 4.2602 4.2602 4.3221 4.3221 4.4595 4.4595 5.0158 5.0158 5.7184 5.7184 5.7640 5.7640 6.5522 6.5522 6.6840 6.6840 6.9142 6.9142 7.2889 7.2889 8.2579 8.2579 8.4886 8.4886 8.6446 8.6446 8.6753 8.6753 8.8734 8.8734 9.3434 9.3434 9.6224 9.6224 9.7012 9.7012 9.7289 9.7289 11.3664 11.3664 11.7636 11.7636 12.4370 12.4370 k = 0.5000 0.1528 0.1569 ( 6560 PWs) bands (ev): -18.4579 -18.4579 -18.2420 -18.2420 -14.7023 -14.7023 -14.5805 -14.5805 -9.9207 -9.9207 -4.9751 -4.9751 -4.8488 -4.8488 -4.1076 -4.1076 -3.7370 -3.7370 -2.9819 -2.9819 -2.7225 -2.7225 -2.5988 -2.5988 -2.3820 -2.3820 3.2217 3.2217 3.3382 3.3382 3.3543 3.3543 3.4042 3.4042 4.1259 4.1259 4.1514 4.1514 4.2645 4.2645 4.3234 4.3234 4.4539 4.4539 5.0351 5.0351 5.7180 5.7180 5.7659 5.7659 6.6045 6.6045 6.7193 6.7193 6.8937 6.8937 7.2572 7.2572 8.2470 8.2470 8.4589 8.4589 8.6421 8.6421 8.6728 8.6728 8.8663 8.8663 9.3453 9.3453 9.6101 9.6101 9.7235 9.7235 9.7471 9.7471 11.3360 11.3360 11.7171 11.7171 12.4085 12.4085 k = 0.5000 0.1528 0.1255 ( 6560 PWs) bands (ev): -18.4599 -18.4599 -18.2425 -18.2425 -14.7016 -14.7016 -14.5786 -14.5786 -9.9232 -9.9232 -4.9617 -4.9617 -4.8596 -4.8596 -4.0980 -4.0980 -3.7444 -3.7444 -2.9845 -2.9845 -2.7222 -2.7222 -2.5941 -2.5941 -2.3800 -2.3800 3.2159 3.2159 3.3337 3.3337 3.3493 3.3493 3.4013 3.4013 4.1404 4.1404 4.1605 4.1605 4.2675 4.2675 4.3249 4.3249 4.4490 4.4490 5.0512 5.0512 5.7182 5.7182 5.7679 5.7679 6.6497 6.6497 6.7518 6.7518 6.8762 6.8762 7.2265 7.2265 8.2378 8.2378 8.4325 8.4325 8.6402 8.6402 8.6709 8.6709 8.8609 8.8609 9.3469 9.3469 9.5999 9.5999 9.7422 9.7422 9.7634 9.7634 11.3112 11.3112 11.6779 11.6779 12.3845 12.3845 k = 0.5000 0.1528 0.0941 ( 6550 PWs) bands (ev): -18.4615 -18.4615 -18.2428 -18.2428 -14.7010 -14.7010 -14.5772 -14.5772 -9.9251 -9.9251 -4.9483 -4.9483 -4.8709 -4.8709 -4.0898 -4.0898 -3.7509 -3.7509 -2.9864 -2.9864 -2.7220 -2.7220 -2.5905 -2.5905 -2.3785 -2.3785 3.2114 3.2114 3.3302 3.3302 3.3454 3.3454 3.3990 3.3990 4.1513 4.1513 4.1684 4.1684 4.2695 4.2695 4.3263 4.3263 4.4451 4.4451 5.0639 5.0639 5.7186 5.7186 5.7699 5.7699 6.6855 6.6855 6.7815 6.7815 6.8627 6.8627 7.1980 7.1980 8.2306 8.2306 8.4108 8.4108 8.6387 8.6387 8.6694 8.6694 8.8568 8.8568 9.3483 9.3483 9.5919 9.5919 9.7568 9.7568 9.7771 9.7771 11.2918 11.2918 11.6468 11.6468 12.3655 12.3655 k = 0.5000 0.1528 0.0627 ( 6558 PWs) bands (ev): -18.4626 -18.4626 -18.2431 -18.2431 -14.7006 -14.7006 -14.5761 -14.5761 -9.9265 -9.9265 -4.9351 -4.9351 -4.8828 -4.8828 -4.0836 -4.0836 -3.7558 -3.7558 -2.9879 -2.9879 -2.7219 -2.7219 -2.5878 -2.5878 -2.3774 -2.3774 3.2082 3.2082 3.3276 3.3276 3.3426 3.3426 3.3973 3.3973 4.1587 4.1587 4.1746 4.1746 4.2707 4.2707 4.3275 4.3275 4.4422 4.4422 5.0731 5.0731 5.7190 5.7190 5.7715 5.7715 6.7101 6.7101 6.8071 6.8071 6.8537 6.8537 7.1736 7.1736 8.2254 8.2254 8.3945 8.3945 8.6377 8.6377 8.6684 8.6684 8.8539 8.8539 9.3493 9.3493 9.5862 9.5862 9.7674 9.7674 9.7875 9.7875 11.2781 11.2781 11.6242 11.6242 12.3518 12.3518 k = 0.5000 0.1528 0.0314 ( 6566 PWs) bands (ev): -18.4632 -18.4632 -18.2433 -18.2433 -14.7004 -14.7004 -14.5755 -14.5755 -9.9273 -9.9273 -4.9221 -4.9221 -4.8949 -4.8949 -4.0796 -4.0796 -3.7590 -3.7590 -2.9887 -2.9887 -2.7219 -2.7219 -2.5862 -2.5862 -2.3767 -2.3767 3.2062 3.2062 3.3261 3.3261 3.3409 3.3409 3.3962 3.3962 4.1629 4.1629 4.1786 4.1786 4.2713 4.2713 4.3282 4.3282 4.4404 4.4404 5.0786 5.0786 5.7194 5.7194 5.7726 5.7726 6.7238 6.7238 6.8253 6.8253 6.8490 6.8490 7.1566 7.1566 8.2221 8.2221 8.3844 8.3844 8.6370 8.6370 8.6678 8.6678 8.8522 8.8522 9.3499 9.3499 9.5828 9.5828 9.7737 9.7737 9.7940 9.7940 11.2698 11.2698 11.6104 11.6104 12.3434 12.3434 k = 0.5000 0.1528-0.0000 ( 6560 PWs) bands (ev): -18.4635 -18.4635 -18.2433 -18.2433 -14.7003 -14.7003 -14.5753 -14.5753 -9.9276 -9.9276 -4.9126 -4.9126 -4.9042 -4.9042 -4.0783 -4.0783 -3.7601 -3.7601 -2.9890 -2.9890 -2.7219 -2.7219 -2.5857 -2.5857 -2.3765 -2.3765 3.2056 3.2056 3.3255 3.3255 3.3404 3.3404 3.3959 3.3959 4.1642 4.1642 4.1800 4.1800 4.2715 4.2715 4.3285 4.3285 4.4398 4.4398 5.0804 5.0804 5.7195 5.7195 5.7730 5.7730 6.7281 6.7281 6.8320 6.8320 6.8477 6.8477 7.1504 7.1504 8.2211 8.2211 8.3810 8.3810 8.6368 8.6368 8.6676 8.6676 8.8516 8.8516 9.3502 9.3502 9.5817 9.5817 9.7758 9.7758 9.7962 9.7962 11.2670 11.2670 11.6058 11.6058 12.3406 12.3406 k = 0.0000 0.0000 1.7112 ( 6532 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7216 -3.7216 -3.3878 -3.3878 -3.2612 -3.2612 -3.2456 -3.2456 -3.0125 -3.0125 -2.9862 -2.9862 2.4301 2.4301 2.4535 2.4535 3.3136 3.3136 3.3572 3.3572 3.9620 3.9620 3.9877 3.9877 4.3804 4.3804 4.3805 4.3805 4.5701 4.5701 4.9933 4.9933 5.0795 5.0795 5.1536 5.1536 5.6005 5.6005 5.6953 5.6953 6.0394 6.0394 7.9918 7.9918 8.0755 8.0755 8.8223 8.8223 8.9368 8.9368 9.3059 9.3059 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6577 10.6577 12.8551 12.8551 13.3325 13.3325 13.8834 13.8834 k = 0.0278 0.0085 1.7112 ( 6536 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7216 -3.7216 -3.3877 -3.3877 -3.2612 -3.2612 -3.2457 -3.2457 -3.0125 -3.0125 -2.9863 -2.9863 2.4302 2.4302 2.4534 2.4534 3.3122 3.3122 3.3587 3.3587 3.9622 3.9622 3.9875 3.9875 4.3804 4.3804 4.3805 4.3805 4.5697 4.5697 4.9935 4.9935 5.0799 5.0799 5.1532 5.1532 5.6010 5.6010 5.6950 5.6950 6.0393 6.0393 7.9917 7.9917 8.0755 8.0755 8.8223 8.8223 8.9368 8.9368 9.3059 9.3059 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6577 10.6577 12.8564 12.8564 13.3284 13.3284 13.8877 13.8877 k = 0.0556 0.0170 1.7112 ( 6550 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7216 -3.7216 -3.3877 -3.3877 -3.2611 -3.2611 -3.2459 -3.2459 -3.0123 -3.0123 -2.9864 -2.9864 2.4306 2.4306 2.4529 2.4529 3.3087 3.3087 3.3625 3.3625 3.9627 3.9627 3.9870 3.9870 4.3804 4.3804 4.3805 4.3805 4.5685 4.5685 4.9942 4.9942 5.0811 5.0811 5.1518 5.1518 5.6025 5.6025 5.6938 5.6938 6.0392 6.0392 7.9917 7.9917 8.0755 8.0755 8.8222 8.8222 8.9368 8.9368 9.3059 9.3059 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6576 10.6576 12.8601 12.8601 13.3166 13.3166 13.8997 13.8997 k = 0.0833 0.0255 1.7112 ( 6552 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7216 -3.7216 -3.3876 -3.3876 -3.2609 -3.2609 -3.2462 -3.2462 -3.0121 -3.0121 -2.9865 -2.9865 2.4313 2.4313 2.4522 2.4522 3.3042 3.3042 3.3675 3.3675 3.9636 3.9636 3.9862 3.9862 4.3803 4.3803 4.3805 4.3805 4.5667 4.5667 4.9953 4.9953 5.0830 5.0830 5.1497 5.1497 5.6048 5.6048 5.6921 5.6921 6.0390 6.0390 7.9917 7.9917 8.0755 8.0755 8.8222 8.8222 8.9368 8.9368 9.3059 9.3059 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6576 10.6576 12.8659 12.8659 13.2990 13.2990 13.9177 13.9177 k = 0.1111 0.0339 1.7112 ( 6552 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7216 -3.7216 -3.3875 -3.3875 -3.2607 -3.2607 -3.2466 -3.2466 -3.0118 -3.0118 -2.9867 -2.9867 2.4322 2.4322 2.4513 2.4513 3.2995 3.2995 3.3729 3.3729 3.9647 3.9647 3.9852 3.9852 4.3803 4.3803 4.3805 4.3805 4.5645 4.5645 4.9966 4.9966 5.0855 5.0855 5.1469 5.1469 5.6078 5.6078 5.6898 5.6898 6.0388 6.0388 7.9917 7.9917 8.0755 8.0755 8.8222 8.8222 8.9367 8.9367 9.3059 9.3059 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6576 10.6576 12.8736 12.8736 13.2778 13.2778 13.9390 13.9390 k = 0.1389 0.0424 1.7112 ( 6566 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7217 -3.7217 -3.3874 -3.3874 -3.2605 -3.2605 -3.2470 -3.2470 -3.0115 -3.0115 -2.9870 -2.9870 2.4333 2.4333 2.4502 2.4502 3.2951 3.2951 3.3779 3.3779 3.9661 3.9661 3.9839 3.9839 4.3803 4.3803 4.3805 4.3805 4.5622 4.5622 4.9980 4.9980 5.0884 5.0884 5.1437 5.1437 5.6112 5.6112 5.6871 5.6871 6.0386 6.0386 7.9917 7.9917 8.0754 8.0754 8.8222 8.8222 8.9367 8.9367 9.3058 9.3058 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6576 10.6576 12.8824 12.8824 13.2556 13.2556 13.9609 13.9609 k = 0.1667 0.0509 1.7112 ( 6566 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7217 -3.7217 -3.3873 -3.3873 -3.2603 -3.2603 -3.2474 -3.2474 -3.0111 -3.0111 -2.9872 -2.9872 2.4345 2.4345 2.4490 2.4490 3.2914 3.2914 3.3822 3.3822 3.9676 3.9676 3.9824 3.9824 4.3803 4.3803 4.3805 4.3805 4.5600 4.5600 4.9993 4.9993 5.0915 5.0915 5.1404 5.1404 5.6145 5.6145 5.6844 5.6844 6.0384 6.0384 7.9917 7.9917 8.0754 8.0754 8.8222 8.8222 8.9367 8.9367 9.3058 9.3058 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6576 10.6576 12.8914 12.8914 13.2348 13.2348 13.9810 13.9810 k = 0.1944 0.0594 1.7112 ( 6558 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7217 -3.7217 -3.3872 -3.3872 -3.2601 -3.2601 -3.2477 -3.2477 -3.0109 -3.0109 -2.9874 -2.9874 2.4356 2.4356 2.4478 2.4478 3.2887 3.2887 3.3855 3.3855 3.9691 3.9691 3.9810 3.9810 4.3803 4.3803 4.3806 4.3806 4.5583 4.5583 5.0003 5.0003 5.0944 5.0944 5.1374 5.1374 5.6174 5.6174 5.6821 5.6821 6.0382 6.0382 7.9917 7.9917 8.0754 8.0754 8.8222 8.8222 8.9368 8.9368 9.3059 9.3059 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6576 10.6576 12.8994 12.8994 13.2177 13.2177 13.9971 13.9971 k = 0.2222 0.0679 1.7112 ( 6560 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7217 -3.7217 -3.3871 -3.3871 -3.2600 -3.2600 -3.2480 -3.2480 -3.0107 -3.0107 -2.9875 -2.9875 2.4366 2.4366 2.4468 2.4468 3.2870 3.2870 3.3875 3.3875 3.9703 3.9703 3.9798 3.9798 4.3803 4.3803 4.3806 4.3806 4.5571 4.5571 5.0009 5.0009 5.0965 5.0965 5.1351 5.1351 5.6194 5.6194 5.6804 5.6804 6.0381 6.0381 7.9917 7.9917 8.0754 8.0754 8.8222 8.8222 8.9368 8.9368 9.3059 9.3059 9.3388 9.3388 9.5173 9.5173 9.8496 9.8496 10.6258 10.6258 10.6576 10.6576 12.9050 12.9050 13.2063 13.2063 14.0074 14.0074 k = 0.2500 0.0764 1.7112 ( 6564 PWs) bands (ev): -18.1807 -18.1807 -18.1803 -18.1803 -14.8174 -14.8174 -14.8174 -14.8174 -9.5901 -9.5901 -5.0433 -5.0433 -5.0298 -5.0298 -3.7217 -3.7217 -3.3871 -3.3871 -3.2599 -3.2599 -3.2480 -3.2480 -3.0106 -3.0106 -2.9876 -2.9876 2.4371 2.4371 2.4463 2.4463 3.2864 3.2864 3.3882 3.3882 3.9709 3.9709 3.9793 3.9793 4.3803 4.3803 4.3806 4.3806 4.5567 4.5567 5.0012 5.0012 5.0973 5.0973 5.1343 5.1343 5.6200 5.6200 5.6799 5.6799 6.0381 6.0381 7.9917 7.9917 8.0754 8.0754 8.8222 8.8222 8.9367 8.9367 9.3059 9.3059 9.3388 9.3388 9.5172 9.5172 9.8496 9.8496 10.6258 10.6258 10.6576 10.6576 12.9071 12.9071 13.2022 13.2022 14.0110 14.0110 Writing output data file Ba2Fe2S2OF2.save init_run : 0.85s CPU 1.11s WALL ( 1 calls) electrons : 900.42s CPU 905.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.13s CPU 0.20s WALL ( 1 calls) Called by electrons: c_bands : 900.40s CPU 905.50s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.04s WALL ( 1 calls) newd : 0.15s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.16s WALL ( 317 calls) cegterg : 814.74s CPU 818.83s WALL ( 323 calls) Called by sum_band: Called by *egterg: h_psi : 698.30s CPU 701.28s WALL ( 6450 calls) s_psi : 20.01s CPU 19.90s WALL ( 6450 calls) g_psi : 0.48s CPU 0.53s WALL ( 5810 calls) cdiaghg : 128.78s CPU 130.29s WALL ( 6127 calls) cegterg:over : 17.87s CPU 17.94s WALL ( 5810 calls) cegterg:upda : 15.57s CPU 15.49s WALL ( 5810 calls) cegterg:last : 7.28s CPU 7.27s WALL ( 960 calls) cdiaghg:chol : 7.73s CPU 7.84s WALL ( 6127 calls) cdiaghg:inve : 5.78s CPU 5.88s WALL ( 6127 calls) cdiaghg:para : 10.39s CPU 10.78s WALL ( 12254 calls) Called by h_psi: h_psi:vloc : 662.88s CPU 665.82s WALL ( 6450 calls) h_psi:vnl : 34.88s CPU 34.92s WALL ( 6450 calls) add_vuspsi : 18.92s CPU 19.00s WALL ( 6450 calls) General routines calbec : 15.92s CPU 15.90s WALL ( 6450 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 604.73s CPU 607.42s WALL ( 1137616 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.31s CPU 0.40s WALL ( 634 calls) Parallel routines fft_scatter : 113.60s CPU 114.17s WALL ( 1137639 calls) PWSCF : 15m33.13s CPU 16m 1.81s WALL This run was terminated on: 14:53: 7 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=