Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:26:24 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: ./BaxMnPx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 94 94 26 1929 1929 292 Max 95 95 27 1931 1931 294 Sum 3393 3393 965 69467 69467 10553 bravais-lattice index = 14 lattice parameter (alat) = 13.4683 a.u. unit-cell volume = 718.2249 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.468340 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.839581 celldm(5)= -0.839581 celldm(6)= 0.679161 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.679161 0.733989 0.000000 ) a(3) = ( -0.839581 -0.366995 0.400524 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.925301 1.248365 ) b(2) = ( 0.000000 1.362418 1.248365 ) b(3) = ( 0.000000 0.000000 2.496730 ) PseudoPot. # 1 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. # 2 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Mn 15.00 54.93800 Mn( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 342 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( 0.0000000 0.0000000 0.0222922), wk = 0.0029240 k( 3) = ( 0.0000000 0.0000000 0.0445844), wk = 0.0029240 k( 4) = ( 0.0000000 0.0000000 0.0668767), wk = 0.0029240 k( 5) = ( 0.0000000 0.0000000 0.0891689), wk = 0.0029240 k( 6) = ( 0.0000000 0.0000000 0.1114611), wk = 0.0029240 k( 7) = ( 0.0000000 0.0000000 0.1337534), wk = 0.0029240 k( 8) = ( 0.0000000 0.0000000 0.1560456), wk = 0.0029240 k( 9) = ( 0.0000000 0.0000000 0.1783378), wk = 0.0029240 k( 10) = ( 0.0000000 0.0000000 0.2006300), wk = 0.0029240 k( 11) = ( 0.0000000 0.0000000 0.2229223), wk = 0.0029240 k( 12) = ( 0.0000000 0.0000000 0.2452145), wk = 0.0029240 k( 13) = ( 0.0000000 0.0000000 0.2675067), wk = 0.0029240 k( 14) = ( 0.0000000 0.0000000 0.2897990), wk = 0.0029240 k( 15) = ( 0.0000000 0.0000000 0.3120912), wk = 0.0029240 k( 16) = ( 0.0000000 0.0000000 0.3343834), wk = 0.0029240 k( 17) = ( 0.0000000 0.0000000 0.3566756), wk = 0.0029240 k( 18) = ( 0.0000000 0.0000000 0.3789679), wk = 0.0029240 k( 19) = ( 0.0000000 0.0000000 0.4012601), wk = 0.0029240 k( 20) = ( 0.0000000 0.0000000 0.4235523), wk = 0.0029240 k( 21) = ( 0.0000000 0.0000000 0.4458446), wk = 0.0029240 k( 22) = ( 0.0000000 0.0000000 0.4681368), wk = 0.0029240 k( 23) = ( 0.0000000 0.0000000 0.4904290), wk = 0.0029240 k( 24) = ( 0.0000000 0.0000000 0.5127212), wk = 0.0029240 k( 25) = ( 0.0000000 0.0000000 0.5350135), wk = 0.0029240 k( 26) = ( 0.0000000 0.0000000 0.5573057), wk = 0.0029240 k( 27) = ( 0.0000000 0.0000000 0.5795979), wk = 0.0029240 k( 28) = ( 0.0000000 0.0000000 0.6018902), wk = 0.0029240 k( 29) = ( 0.0000000 0.0000000 0.6241824), wk = 0.0029240 k( 30) = ( 0.0000000 0.0000000 0.6464746), wk = 0.0029240 k( 31) = ( 0.0000000 0.0000000 0.6687668), wk = 0.0029240 k( 32) = ( 0.0000000 0.0000000 0.6910591), wk = 0.0029240 k( 33) = ( 0.0000000 0.0000000 0.7133513), wk = 0.0029240 k( 34) = ( 0.0000000 0.0000000 0.7356435), wk = 0.0029240 k( 35) = ( 0.0000000 0.0000000 0.7579358), wk = 0.0029240 k( 36) = ( 0.0000000 0.0000000 0.7802280), wk = 0.0029240 k( 37) = ( 0.0000000 0.0000000 0.8025202), wk = 0.0029240 k( 38) = ( 0.0000000 0.0000000 0.8248124), wk = 0.0029240 k( 39) = ( 0.0000000 0.0000000 0.8471046), wk = 0.0029240 k( 40) = ( 0.0000000 0.0000000 0.8693969), wk = 0.0029240 k( 41) = ( 0.0000000 0.0000000 0.8916891), wk = 0.0029240 k( 42) = ( 0.0000000 0.0000000 0.9139813), wk = 0.0029240 k( 43) = ( 0.0000000 0.0000000 0.9362736), wk = 0.0029240 k( 44) = ( 0.0000000 0.0000000 0.9585658), wk = 0.0029240 k( 45) = ( 0.0000000 0.0000000 0.9808580), wk = 0.0029240 k( 46) = ( 0.0000000 0.0000000 1.0031502), wk = 0.0029240 k( 47) = ( 0.0000000 0.0000000 1.0254425), wk = 0.0029240 k( 48) = ( 0.0000000 0.0000000 1.0477347), wk = 0.0029240 k( 49) = ( 0.0000000 0.0000000 1.0700269), wk = 0.0029240 k( 50) = ( 0.0000000 0.0000000 1.0923192), wk = 0.0029240 k( 51) = ( 0.0000000 0.0000000 1.1146114), wk = 0.0029240 k( 52) = ( 0.0000000 0.0000000 1.1369036), wk = 0.0029240 k( 53) = ( 0.0000000 0.0000000 1.1591958), wk = 0.0029240 k( 54) = ( 0.0000000 0.0000000 1.1814881), wk = 0.0029240 k( 55) = ( 0.0000000 0.0000000 1.2037803), wk = 0.0029240 k( 56) = ( 0.0000000 0.0000000 1.2260725), wk = 0.0029240 k( 57) = ( 0.0000000 0.0000000 1.2483648), wk = 0.0029240 k( 58) = ( 0.0000000 0.0000000 1.2483648), wk = 0.0029240 k( 59) = ( -0.0079613 0.0182132 1.2483648), wk = 0.0029240 k( 60) = ( -0.0159226 0.0364264 1.2483648), wk = 0.0029240 k( 61) = ( -0.0238839 0.0546396 1.2483648), wk = 0.0029240 k( 62) = ( -0.0318452 0.0728528 1.2483648), wk = 0.0029240 k( 63) = ( -0.0398065 0.0910660 1.2483648), wk = 0.0029240 k( 64) = ( -0.0477677 0.1092791 1.2483648), wk = 0.0029240 k( 65) = ( -0.0477677 0.1092791 1.2483648), wk = 0.0029240 k( 66) = ( -0.0540487 0.1236483 1.2326828), wk = 0.0029240 k( 67) = ( -0.0603297 0.1380175 1.2170008), wk = 0.0029240 k( 68) = ( -0.0666107 0.1523867 1.2013189), wk = 0.0029240 k( 69) = ( -0.0728918 0.1667558 1.1856369), wk = 0.0029240 k( 70) = ( -0.0791728 0.1811250 1.1699549), wk = 0.0029240 k( 71) = ( -0.0854538 0.1954942 1.1542730), wk = 0.0029240 k( 72) = ( -0.0917348 0.2098634 1.1385910), wk = 0.0029240 k( 73) = ( -0.0980158 0.2242325 1.1229090), wk = 0.0029240 k( 74) = ( -0.1042968 0.2386017 1.1072271), wk = 0.0029240 k( 75) = ( -0.1105778 0.2529709 1.0915451), wk = 0.0029240 k( 76) = ( -0.1168588 0.2673401 1.0758631), wk = 0.0029240 k( 77) = ( -0.1231398 0.2817092 1.0601812), wk = 0.0029240 k( 78) = ( -0.1294208 0.2960784 1.0444992), wk = 0.0029240 k( 79) = ( -0.1357018 0.3104476 1.0288172), wk = 0.0029240 k( 80) = ( -0.1419828 0.3248167 1.0131352), wk = 0.0029240 k( 81) = ( -0.1482638 0.3391859 0.9974533), wk = 0.0029240 k( 82) = ( -0.1545448 0.3535551 0.9817713), wk = 0.0029240 k( 83) = ( -0.1608258 0.3679242 0.9660893), wk = 0.0029240 k( 84) = ( -0.1671068 0.3822934 0.9504074), wk = 0.0029240 k( 85) = ( -0.1733878 0.3966626 0.9347254), wk = 0.0029240 k( 86) = ( -0.1796688 0.4110318 0.9190434), wk = 0.0029240 k( 87) = ( -0.1859498 0.4254009 0.9033615), wk = 0.0029240 k( 88) = ( -0.1922308 0.4397701 0.8876795), wk = 0.0029240 k( 89) = ( -0.1985118 0.4541393 0.8719975), wk = 0.0029240 k( 90) = ( -0.2047928 0.4685085 0.8563156), wk = 0.0029240 k( 91) = ( -0.2110738 0.4828776 0.8406336), wk = 0.0029240 k( 92) = ( -0.2173548 0.4972468 0.8249516), wk = 0.0029240 k( 93) = ( -0.2236358 0.5116160 0.8092697), wk = 0.0029240 k( 94) = ( -0.2299168 0.5259851 0.7935877), wk = 0.0029240 k( 95) = ( -0.2361978 0.5403543 0.7779057), wk = 0.0029240 k( 96) = ( -0.2424788 0.5547235 0.7622238), wk = 0.0029240 k( 97) = ( -0.2487599 0.5690926 0.7465418), wk = 0.0029240 k( 98) = ( -0.2550409 0.5834618 0.7308598), wk = 0.0029240 k( 99) = ( -0.2613219 0.5978310 0.7151779), wk = 0.0029240 k( 100) = ( -0.2676029 0.6122002 0.6994959), wk = 0.0029240 k( 101) = ( -0.2738839 0.6265693 0.6838139), wk = 0.0029240 k( 102) = ( -0.2738839 0.6265693 0.6838139), wk = 0.0029240 k( 103) = ( -0.2675145 0.6119979 0.6679113), wk = 0.0029240 k( 104) = ( -0.2611451 0.5974266 0.6520086), wk = 0.0029240 k( 105) = ( -0.2547757 0.5828552 0.6361060), wk = 0.0029240 k( 106) = ( -0.2484063 0.5682838 0.6202033), wk = 0.0029240 k( 107) = ( -0.2420369 0.5537124 0.6043007), wk = 0.0029240 k( 108) = ( -0.2356675 0.5391410 0.5883980), wk = 0.0029240 k( 109) = ( -0.2292981 0.5245697 0.5724954), wk = 0.0029240 k( 110) = ( -0.2229287 0.5099983 0.5565927), wk = 0.0029240 k( 111) = ( -0.2165593 0.4954269 0.5406901), wk = 0.0029240 k( 112) = ( -0.2101899 0.4808555 0.5247874), wk = 0.0029240 k( 113) = ( -0.2038205 0.4662841 0.5088848), wk = 0.0029240 k( 114) = ( -0.1974512 0.4517128 0.4929821), wk = 0.0029240 k( 115) = ( -0.1910818 0.4371414 0.4770795), wk = 0.0029240 k( 116) = ( -0.1847124 0.4225700 0.4611769), wk = 0.0029240 k( 117) = ( -0.1783430 0.4079986 0.4452742), wk = 0.0029240 k( 118) = ( -0.1719736 0.3934273 0.4293715), wk = 0.0029240 k( 119) = ( -0.1656042 0.3788559 0.4134689), wk = 0.0029240 k( 120) = ( -0.1592348 0.3642845 0.3975663), wk = 0.0029240 k( 121) = ( -0.1528654 0.3497131 0.3816636), wk = 0.0029240 k( 122) = ( -0.1464960 0.3351417 0.3657609), wk = 0.0029240 k( 123) = ( -0.1401266 0.3205704 0.3498583), wk = 0.0029240 k( 124) = ( -0.1337572 0.3059990 0.3339556), wk = 0.0029240 k( 125) = ( -0.1273878 0.2914276 0.3180530), wk = 0.0029240 k( 126) = ( -0.1210184 0.2768562 0.3021503), wk = 0.0029240 k( 127) = ( -0.1146491 0.2622848 0.2862477), wk = 0.0029240 k( 128) = ( -0.1082797 0.2477135 0.2703450), wk = 0.0029240 k( 129) = ( -0.1019103 0.2331421 0.2544424), wk = 0.0029240 k( 130) = ( -0.0955409 0.2185707 0.2385397), wk = 0.0029240 k( 131) = ( -0.0891715 0.2039993 0.2226371), wk = 0.0029240 k( 132) = ( -0.0828021 0.1894279 0.2067344), wk = 0.0029240 k( 133) = ( -0.0764327 0.1748566 0.1908318), wk = 0.0029240 k( 134) = ( -0.0700633 0.1602852 0.1749291), wk = 0.0029240 k( 135) = ( -0.0636939 0.1457138 0.1590265), wk = 0.0029240 k( 136) = ( -0.0573245 0.1311424 0.1431238), wk = 0.0029240 k( 137) = ( -0.0509551 0.1165710 0.1272212), wk = 0.0029240 k( 138) = ( -0.0445858 0.1019997 0.1113186), wk = 0.0029240 k( 139) = ( -0.0382164 0.0874283 0.0954159), wk = 0.0029240 k( 140) = ( -0.0318470 0.0728569 0.0795132), wk = 0.0029240 k( 141) = ( -0.0254776 0.0582855 0.0636106), wk = 0.0029240 k( 142) = ( -0.0191082 0.0437141 0.0477080), wk = 0.0029240 k( 143) = ( -0.0127388 0.0291427 0.0318053), wk = 0.0029240 k( 144) = ( -0.0063694 0.0145714 0.0159026), wk = 0.0029240 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 147) = ( 0.0200000 0.0087423 0.0000000), wk = 0.0029240 k( 148) = ( 0.0400000 0.0174847 0.0000000), wk = 0.0029240 k( 149) = ( 0.0600000 0.0262270 0.0000000), wk = 0.0029240 k( 150) = ( 0.0800000 0.0349693 0.0000000), wk = 0.0029240 k( 151) = ( 0.1000000 0.0437117 0.0000000), wk = 0.0029240 k( 152) = ( 0.1200000 0.0524540 0.0000000), wk = 0.0029240 k( 153) = ( 0.1400000 0.0611963 0.0000000), wk = 0.0029240 k( 154) = ( 0.1600000 0.0699387 0.0000000), wk = 0.0029240 k( 155) = ( 0.1800000 0.0786810 0.0000000), wk = 0.0029240 k( 156) = ( 0.2000000 0.0874233 0.0000000), wk = 0.0029240 k( 157) = ( 0.2200000 0.0961657 0.0000000), wk = 0.0029240 k( 158) = ( 0.2400000 0.1049080 0.0000000), wk = 0.0029240 k( 159) = ( 0.2600000 0.1136503 0.0000000), wk = 0.0029240 k( 160) = ( 0.2800000 0.1223927 0.0000000), wk = 0.0029240 k( 161) = ( 0.3000000 0.1311350 0.0000000), wk = 0.0029240 k( 162) = ( 0.3200000 0.1398773 0.0000000), wk = 0.0029240 k( 163) = ( 0.3400000 0.1486197 0.0000000), wk = 0.0029240 k( 164) = ( 0.3600000 0.1573620 0.0000000), wk = 0.0029240 k( 165) = ( 0.3800000 0.1661043 0.0000000), wk = 0.0029240 k( 166) = ( 0.4000000 0.1748466 0.0000000), wk = 0.0029240 k( 167) = ( 0.4200000 0.1835890 0.0000000), wk = 0.0029240 k( 168) = ( 0.4400000 0.1923313 0.0000000), wk = 0.0029240 k( 169) = ( 0.4600000 0.2010736 0.0000000), wk = 0.0029240 k( 170) = ( 0.4800000 0.2098160 0.0000000), wk = 0.0029240 k( 171) = ( 0.5000000 0.2185583 0.0000000), wk = 0.0029240 k( 172) = ( 0.5000000 0.2185583 0.0000000), wk = 0.0029240 k( 173) = ( 0.4937190 0.2329275 0.0156820), wk = 0.0029240 k( 174) = ( 0.4874380 0.2472967 0.0313639), wk = 0.0029240 k( 175) = ( 0.4811570 0.2616658 0.0470459), wk = 0.0029240 k( 176) = ( 0.4748760 0.2760350 0.0627279), wk = 0.0029240 k( 177) = ( 0.4685950 0.2904042 0.0784098), wk = 0.0029240 k( 178) = ( 0.4623140 0.3047733 0.0940918), wk = 0.0029240 k( 179) = ( 0.4560330 0.3191425 0.1097738), wk = 0.0029240 k( 180) = ( 0.4497520 0.3335117 0.1254557), wk = 0.0029240 k( 181) = ( 0.4434710 0.3478808 0.1411377), wk = 0.0029240 k( 182) = ( 0.4371900 0.3622500 0.1568197), wk = 0.0029240 k( 183) = ( 0.4309090 0.3766192 0.1725016), wk = 0.0029240 k( 184) = ( 0.4246280 0.3909884 0.1881836), wk = 0.0029240 k( 185) = ( 0.4183469 0.4053575 0.2038656), wk = 0.0029240 k( 186) = ( 0.4120660 0.4197267 0.2195475), wk = 0.0029240 k( 187) = ( 0.4057849 0.4340959 0.2352295), wk = 0.0029240 k( 188) = ( 0.3995039 0.4484651 0.2509115), wk = 0.0029240 k( 189) = ( 0.3932229 0.4628342 0.2665934), wk = 0.0029240 k( 190) = ( 0.3869419 0.4772034 0.2822754), wk = 0.0029240 k( 191) = ( 0.3806609 0.4915726 0.2979574), wk = 0.0029240 k( 192) = ( 0.3743799 0.5059417 0.3136393), wk = 0.0029240 k( 193) = ( 0.3680989 0.5203109 0.3293213), wk = 0.0029240 k( 194) = ( 0.3618179 0.5346801 0.3450033), wk = 0.0029240 k( 195) = ( 0.3555369 0.5490492 0.3606852), wk = 0.0029240 k( 196) = ( 0.3492559 0.5634184 0.3763672), wk = 0.0029240 k( 197) = ( 0.3429749 0.5777876 0.3920492), wk = 0.0029240 k( 198) = ( 0.3366939 0.5921568 0.4077312), wk = 0.0029240 k( 199) = ( 0.3304129 0.6065259 0.4234131), wk = 0.0029240 k( 200) = ( 0.3241319 0.6208951 0.4390951), wk = 0.0029240 k( 201) = ( 0.3178509 0.6352643 0.4547771), wk = 0.0029240 k( 202) = ( 0.3115699 0.6496335 0.4704590), wk = 0.0029240 k( 203) = ( 0.3052889 0.6640026 0.4861410), wk = 0.0029240 k( 204) = ( 0.2990079 0.6783718 0.5018230), wk = 0.0029240 k( 205) = ( 0.2927269 0.6927410 0.5175049), wk = 0.0029240 k( 206) = ( 0.2864459 0.7071102 0.5331869), wk = 0.0029240 k( 207) = ( 0.2801649 0.7214793 0.5488689), wk = 0.0029240 k( 208) = ( 0.2738839 0.7358485 0.5645508), wk = 0.0029240 k( 209) = ( 0.2738839 0.7358485 0.5645508), wk = 0.0029240 k( 210) = ( 0.2528159 0.7316454 0.5691379), wk = 0.0029240 k( 211) = ( 0.2317479 0.7274424 0.5737249), wk = 0.0029240 k( 212) = ( 0.2106799 0.7232394 0.5783120), wk = 0.0029240 k( 213) = ( 0.1896119 0.7190363 0.5828990), wk = 0.0029240 k( 214) = ( 0.1685439 0.7148333 0.5874860), wk = 0.0029240 k( 215) = ( 0.1474759 0.7106302 0.5920731), wk = 0.0029240 k( 216) = ( 0.1264079 0.7064272 0.5966601), wk = 0.0029240 k( 217) = ( 0.1053400 0.7022241 0.6012472), wk = 0.0029240 k( 218) = ( 0.0842720 0.6980211 0.6058342), wk = 0.0029240 k( 219) = ( 0.0632040 0.6938180 0.6104213), wk = 0.0029240 k( 220) = ( 0.0421360 0.6896150 0.6150083), wk = 0.0029240 k( 221) = ( 0.0210680 0.6854120 0.6195953), wk = 0.0029240 k( 222) = ( 0.0000000 0.6812089 0.6241824), wk = 0.0029240 k( 223) = ( 0.0000000 0.6812089 0.6241824), wk = 0.0029240 k( 224) = ( 0.0064103 0.6665440 0.6401871), wk = 0.0029240 k( 225) = ( 0.0128205 0.6518792 0.6561917), wk = 0.0029240 k( 226) = ( 0.0192308 0.6372143 0.6721964), wk = 0.0029240 k( 227) = ( 0.0256410 0.6225494 0.6882011), wk = 0.0029240 k( 228) = ( 0.0320513 0.6078846 0.7042058), wk = 0.0029240 k( 229) = ( 0.0384615 0.5932197 0.7202104), wk = 0.0029240 k( 230) = ( 0.0448718 0.5785549 0.7362151), wk = 0.0029240 k( 231) = ( 0.0512821 0.5638900 0.7522198), wk = 0.0029240 k( 232) = ( 0.0576923 0.5492251 0.7682245), wk = 0.0029240 k( 233) = ( 0.0641026 0.5345603 0.7842291), wk = 0.0029240 k( 234) = ( 0.0705128 0.5198954 0.8002338), wk = 0.0029240 k( 235) = ( 0.0769231 0.5052305 0.8162385), wk = 0.0029240 k( 236) = ( 0.0833333 0.4905657 0.8322432), wk = 0.0029240 k( 237) = ( 0.0897436 0.4759008 0.8482479), wk = 0.0029240 k( 238) = ( 0.0961538 0.4612359 0.8642525), wk = 0.0029240 k( 239) = ( 0.1025641 0.4465711 0.8802572), wk = 0.0029240 k( 240) = ( 0.1089744 0.4319062 0.8962619), wk = 0.0029240 k( 241) = ( 0.1153846 0.4172413 0.9122666), wk = 0.0029240 k( 242) = ( 0.1217949 0.4025765 0.9282712), wk = 0.0029240 k( 243) = ( 0.1282051 0.3879116 0.9442759), wk = 0.0029240 k( 244) = ( 0.1346154 0.3732467 0.9602806), wk = 0.0029240 k( 245) = ( 0.1410256 0.3585819 0.9762853), wk = 0.0029240 k( 246) = ( 0.1474359 0.3439170 0.9922899), wk = 0.0029240 k( 247) = ( 0.1538461 0.3292521 1.0082946), wk = 0.0029240 k( 248) = ( 0.1602564 0.3145873 1.0242993), wk = 0.0029240 k( 249) = ( 0.1666667 0.2999224 1.0403040), wk = 0.0029240 k( 250) = ( 0.1730769 0.2852575 1.0563086), wk = 0.0029240 k( 251) = ( 0.1794872 0.2705927 1.0723133), wk = 0.0029240 k( 252) = ( 0.1858974 0.2559278 1.0883180), wk = 0.0029240 k( 253) = ( 0.1923077 0.2412629 1.1043227), wk = 0.0029240 k( 254) = ( 0.1987180 0.2265981 1.1203274), wk = 0.0029240 k( 255) = ( 0.2051282 0.2119332 1.1363320), wk = 0.0029240 k( 256) = ( 0.2115385 0.1972684 1.1523367), wk = 0.0029240 k( 257) = ( 0.2179487 0.1826035 1.1683414), wk = 0.0029240 k( 258) = ( 0.2243590 0.1679386 1.1843460), wk = 0.0029240 k( 259) = ( 0.2307692 0.1532738 1.2003507), wk = 0.0029240 k( 260) = ( 0.2371795 0.1386089 1.2163554), wk = 0.0029240 k( 261) = ( 0.2435897 0.1239440 1.2323601), wk = 0.0029240 k( 262) = ( 0.2500000 0.1092792 1.2483648), wk = 0.0029240 k( 263) = ( 0.2500000 0.1092792 1.2483648), wk = 0.0029240 k( 264) = ( 0.2678571 0.1170848 1.2398460), wk = 0.0029240 k( 265) = ( 0.2857143 0.1248905 1.2313272), wk = 0.0029240 k( 266) = ( 0.3035714 0.1326961 1.2228084), wk = 0.0029240 k( 267) = ( 0.3214286 0.1405018 1.2142896), wk = 0.0029240 k( 268) = ( 0.3392857 0.1483074 1.2057708), wk = 0.0029240 k( 269) = ( 0.3571429 0.1561131 1.1972520), wk = 0.0029240 k( 270) = ( 0.3750000 0.1639187 1.1887332), wk = 0.0029240 k( 271) = ( 0.3928571 0.1717244 1.1802144), wk = 0.0029240 k( 272) = ( 0.4107143 0.1795300 1.1716956), wk = 0.0029240 k( 273) = ( 0.4285714 0.1873357 1.1631768), wk = 0.0029240 k( 274) = ( 0.4464286 0.1951413 1.1546580), wk = 0.0029240 k( 275) = ( 0.4642857 0.2029470 1.1461392), wk = 0.0029240 k( 276) = ( 0.4821429 0.2107527 1.1376204), wk = 0.0029240 k( 277) = ( 0.5000000 0.2185583 1.1291017), wk = 0.0029240 k( 278) = ( 0.5000000 0.2185583 1.1291017), wk = 0.0029240 k( 279) = ( 0.5000000 0.2185583 1.1065196), wk = 0.0029240 k( 280) = ( 0.5000000 0.2185583 1.0839376), wk = 0.0029240 k( 281) = ( 0.5000000 0.2185583 1.0613555), wk = 0.0029240 k( 282) = ( 0.5000000 0.2185583 1.0387735), wk = 0.0029240 k( 283) = ( 0.5000000 0.2185583 1.0161915), wk = 0.0029240 k( 284) = ( 0.5000000 0.2185583 0.9936094), wk = 0.0029240 k( 285) = ( 0.5000000 0.2185583 0.9710274), wk = 0.0029240 k( 286) = ( 0.5000000 0.2185583 0.9484454), wk = 0.0029240 k( 287) = ( 0.5000000 0.2185583 0.9258634), wk = 0.0029240 k( 288) = ( 0.5000000 0.2185583 0.9032813), wk = 0.0029240 k( 289) = ( 0.5000000 0.2185583 0.8806993), wk = 0.0029240 k( 290) = ( 0.5000000 0.2185583 0.8581172), wk = 0.0029240 k( 291) = ( 0.5000000 0.2185583 0.8355352), wk = 0.0029240 k( 292) = ( 0.5000000 0.2185583 0.8129532), wk = 0.0029240 k( 293) = ( 0.5000000 0.2185583 0.7903712), wk = 0.0029240 k( 294) = ( 0.5000000 0.2185583 0.7677891), wk = 0.0029240 k( 295) = ( 0.5000000 0.2185583 0.7452071), wk = 0.0029240 k( 296) = ( 0.5000000 0.2185583 0.7226251), wk = 0.0029240 k( 297) = ( 0.5000000 0.2185583 0.7000430), wk = 0.0029240 k( 298) = ( 0.5000000 0.2185583 0.6774610), wk = 0.0029240 k( 299) = ( 0.5000000 0.2185583 0.6548789), wk = 0.0029240 k( 300) = ( 0.5000000 0.2185583 0.6322969), wk = 0.0029240 k( 301) = ( 0.5000000 0.2185583 0.6097149), wk = 0.0029240 k( 302) = ( 0.5000000 0.2185583 0.5871329), wk = 0.0029240 k( 303) = ( 0.5000000 0.2185583 0.5645508), wk = 0.0029240 k( 304) = ( 0.5000000 0.2185583 0.5419688), wk = 0.0029240 k( 305) = ( 0.5000000 0.2185583 0.5193868), wk = 0.0029240 k( 306) = ( 0.5000000 0.2185583 0.4968047), wk = 0.0029240 k( 307) = ( 0.5000000 0.2185583 0.4742227), wk = 0.0029240 k( 308) = ( 0.5000000 0.2185583 0.4516407), wk = 0.0029240 k( 309) = ( 0.5000000 0.2185583 0.4290586), wk = 0.0029240 k( 310) = ( 0.5000000 0.2185583 0.4064766), wk = 0.0029240 k( 311) = ( 0.5000000 0.2185583 0.3838946), wk = 0.0029240 k( 312) = ( 0.5000000 0.2185583 0.3613125), wk = 0.0029240 k( 313) = ( 0.5000000 0.2185583 0.3387305), wk = 0.0029240 k( 314) = ( 0.5000000 0.2185583 0.3161485), wk = 0.0029240 k( 315) = ( 0.5000000 0.2185583 0.2935664), wk = 0.0029240 k( 316) = ( 0.5000000 0.2185583 0.2709844), wk = 0.0029240 k( 317) = ( 0.5000000 0.2185583 0.2484024), wk = 0.0029240 k( 318) = ( 0.5000000 0.2185583 0.2258203), wk = 0.0029240 k( 319) = ( 0.5000000 0.2185583 0.2032383), wk = 0.0029240 k( 320) = ( 0.5000000 0.2185583 0.1806563), wk = 0.0029240 k( 321) = ( 0.5000000 0.2185583 0.1580742), wk = 0.0029240 k( 322) = ( 0.5000000 0.2185583 0.1354922), wk = 0.0029240 k( 323) = ( 0.5000000 0.2185583 0.1129102), wk = 0.0029240 k( 324) = ( 0.5000000 0.2185583 0.0903281), wk = 0.0029240 k( 325) = ( 0.5000000 0.2185583 0.0677461), wk = 0.0029240 k( 326) = ( 0.5000000 0.2185583 0.0451641), wk = 0.0029240 k( 327) = ( 0.5000000 0.2185583 0.0225820), wk = 0.0029240 k( 328) = ( 0.5000000 0.2185583 0.0000000), wk = 0.0029240 k( 329) = ( 0.0000000 0.0000000 1.2483648), wk = 0.0029240 k( 330) = ( 0.0192308 0.0084061 1.2483648), wk = 0.0029240 k( 331) = ( 0.0384615 0.0168122 1.2483648), wk = 0.0029240 k( 332) = ( 0.0576923 0.0252183 1.2483648), wk = 0.0029240 k( 333) = ( 0.0769231 0.0336244 1.2483648), wk = 0.0029240 k( 334) = ( 0.0961538 0.0420304 1.2483648), wk = 0.0029240 k( 335) = ( 0.1153846 0.0504365 1.2483648), wk = 0.0029240 k( 336) = ( 0.1346154 0.0588426 1.2483648), wk = 0.0029240 k( 337) = ( 0.1538461 0.0672487 1.2483648), wk = 0.0029240 k( 338) = ( 0.1730769 0.0756548 1.2483648), wk = 0.0029240 k( 339) = ( 0.1923077 0.0840609 1.2483648), wk = 0.0029240 k( 340) = ( 0.2115385 0.0924670 1.2483648), wk = 0.0029240 k( 341) = ( 0.2307692 0.1008731 1.2483648), wk = 0.0029240 k( 342) = ( 0.2500000 0.1092792 1.2483648), wk = 0.0029240 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0029240 k( 3) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0029240 k( 4) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0029240 k( 5) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0029240 k( 6) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0029240 k( 7) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0029240 k( 8) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0029240 k( 9) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0029240 k( 10) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0029240 k( 11) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0029240 k( 12) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0029240 k( 13) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0029240 k( 14) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0029240 k( 15) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029240 k( 16) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0029240 k( 17) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0029240 k( 18) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0029240 k( 19) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0029240 k( 20) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0029240 k( 21) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0029240 k( 22) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0029240 k( 23) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0029240 k( 24) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0029240 k( 25) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0029240 k( 26) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0029240 k( 27) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0029240 k( 28) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0029240 k( 29) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029240 k( 30) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0029240 k( 31) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0029240 k( 32) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0029240 k( 33) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0029240 k( 34) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0029240 k( 35) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0029240 k( 36) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0029240 k( 37) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0029240 k( 38) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0029240 k( 39) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0029240 k( 40) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0029240 k( 41) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0029240 k( 42) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0029240 k( 43) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029240 k( 44) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0029240 k( 45) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0029240 k( 46) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0029240 k( 47) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0029240 k( 48) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0029240 k( 49) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0029240 k( 50) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0029240 k( 51) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0029240 k( 52) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0029240 k( 53) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0029240 k( 54) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0029240 k( 55) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0029240 k( 56) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0029240 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 59) = ( -0.0079613 0.0079613 0.5000000), wk = 0.0029240 k( 60) = ( -0.0159226 0.0159226 0.5000000), wk = 0.0029240 k( 61) = ( -0.0238839 0.0238839 0.5000000), wk = 0.0029240 k( 62) = ( -0.0318452 0.0318452 0.5000000), wk = 0.0029240 k( 63) = ( -0.0398065 0.0398064 0.5000000), wk = 0.0029240 k( 64) = ( -0.0477677 0.0477677 0.5000000), wk = 0.0029240 k( 65) = ( -0.0477677 0.0477677 0.5000000), wk = 0.0029240 k( 66) = ( -0.0540487 0.0540487 0.4937190), wk = 0.0029240 k( 67) = ( -0.0603297 0.0603297 0.4874380), wk = 0.0029240 k( 68) = ( -0.0666107 0.0666107 0.4811570), wk = 0.0029240 k( 69) = ( -0.0728918 0.0728918 0.4748760), wk = 0.0029240 k( 70) = ( -0.0791728 0.0791728 0.4685950), wk = 0.0029240 k( 71) = ( -0.0854538 0.0854538 0.4623140), wk = 0.0029240 k( 72) = ( -0.0917348 0.0917348 0.4560330), wk = 0.0029240 k( 73) = ( -0.0980158 0.0980158 0.4497520), wk = 0.0029240 k( 74) = ( -0.1042968 0.1042968 0.4434710), wk = 0.0029240 k( 75) = ( -0.1105778 0.1105778 0.4371900), wk = 0.0029240 k( 76) = ( -0.1168588 0.1168588 0.4309090), wk = 0.0029240 k( 77) = ( -0.1231398 0.1231398 0.4246280), wk = 0.0029240 k( 78) = ( -0.1294208 0.1294208 0.4183469), wk = 0.0029240 k( 79) = ( -0.1357018 0.1357018 0.4120660), wk = 0.0029240 k( 80) = ( -0.1419828 0.1419828 0.4057849), wk = 0.0029240 k( 81) = ( -0.1482638 0.1482638 0.3995039), wk = 0.0029240 k( 82) = ( -0.1545448 0.1545448 0.3932229), wk = 0.0029240 k( 83) = ( -0.1608258 0.1608258 0.3869419), wk = 0.0029240 k( 84) = ( -0.1671068 0.1671068 0.3806609), wk = 0.0029240 k( 85) = ( -0.1733878 0.1733878 0.3743799), wk = 0.0029240 k( 86) = ( -0.1796688 0.1796688 0.3680989), wk = 0.0029240 k( 87) = ( -0.1859498 0.1859498 0.3618179), wk = 0.0029240 k( 88) = ( -0.1922308 0.1922308 0.3555369), wk = 0.0029240 k( 89) = ( -0.1985118 0.1985118 0.3492559), wk = 0.0029240 k( 90) = ( -0.2047928 0.2047928 0.3429749), wk = 0.0029240 k( 91) = ( -0.2110738 0.2110738 0.3366939), wk = 0.0029240 k( 92) = ( -0.2173548 0.2173548 0.3304129), wk = 0.0029240 k( 93) = ( -0.2236358 0.2236358 0.3241319), wk = 0.0029240 k( 94) = ( -0.2299168 0.2299168 0.3178509), wk = 0.0029240 k( 95) = ( -0.2361978 0.2361978 0.3115699), wk = 0.0029240 k( 96) = ( -0.2424788 0.2424789 0.3052889), wk = 0.0029240 k( 97) = ( -0.2487599 0.2487599 0.2990079), wk = 0.0029240 k( 98) = ( -0.2550409 0.2550409 0.2927269), wk = 0.0029240 k( 99) = ( -0.2613219 0.2613219 0.2864459), wk = 0.0029240 k( 100) = ( -0.2676029 0.2676029 0.2801649), wk = 0.0029240 k( 101) = ( -0.2738839 0.2738839 0.2738839), wk = 0.0029240 k( 102) = ( -0.2738839 0.2738839 0.2738839), wk = 0.0029240 k( 103) = ( -0.2675145 0.2675145 0.2675145), wk = 0.0029240 k( 104) = ( -0.2611451 0.2611451 0.2611451), wk = 0.0029240 k( 105) = ( -0.2547757 0.2547757 0.2547757), wk = 0.0029240 k( 106) = ( -0.2484063 0.2484063 0.2484063), wk = 0.0029240 k( 107) = ( -0.2420369 0.2420369 0.2420369), wk = 0.0029240 k( 108) = ( -0.2356675 0.2356675 0.2356675), wk = 0.0029240 k( 109) = ( -0.2292981 0.2292981 0.2292981), wk = 0.0029240 k( 110) = ( -0.2229287 0.2229287 0.2229287), wk = 0.0029240 k( 111) = ( -0.2165593 0.2165593 0.2165593), wk = 0.0029240 k( 112) = ( -0.2101899 0.2101899 0.2101899), wk = 0.0029240 k( 113) = ( -0.2038205 0.2038206 0.2038205), wk = 0.0029240 k( 114) = ( -0.1974512 0.1974512 0.1974512), wk = 0.0029240 k( 115) = ( -0.1910818 0.1910818 0.1910818), wk = 0.0029240 k( 116) = ( -0.1847124 0.1847124 0.1847124), wk = 0.0029240 k( 117) = ( -0.1783430 0.1783430 0.1783430), wk = 0.0029240 k( 118) = ( -0.1719736 0.1719736 0.1719736), wk = 0.0029240 k( 119) = ( -0.1656042 0.1656042 0.1656042), wk = 0.0029240 k( 120) = ( -0.1592348 0.1592348 0.1592348), wk = 0.0029240 k( 121) = ( -0.1528654 0.1528654 0.1528654), wk = 0.0029240 k( 122) = ( -0.1464960 0.1464960 0.1464960), wk = 0.0029240 k( 123) = ( -0.1401266 0.1401266 0.1401266), wk = 0.0029240 k( 124) = ( -0.1337572 0.1337572 0.1337572), wk = 0.0029240 k( 125) = ( -0.1273878 0.1273879 0.1273879), wk = 0.0029240 k( 126) = ( -0.1210184 0.1210184 0.1210185), wk = 0.0029240 k( 127) = ( -0.1146491 0.1146491 0.1146491), wk = 0.0029240 k( 128) = ( -0.1082797 0.1082797 0.1082797), wk = 0.0029240 k( 129) = ( -0.1019103 0.1019103 0.1019103), wk = 0.0029240 k( 130) = ( -0.0955409 0.0955409 0.0955409), wk = 0.0029240 k( 131) = ( -0.0891715 0.0891715 0.0891715), wk = 0.0029240 k( 132) = ( -0.0828021 0.0828021 0.0828021), wk = 0.0029240 k( 133) = ( -0.0764327 0.0764327 0.0764327), wk = 0.0029240 k( 134) = ( -0.0700633 0.0700633 0.0700633), wk = 0.0029240 k( 135) = ( -0.0636939 0.0636939 0.0636939), wk = 0.0029240 k( 136) = ( -0.0573245 0.0573245 0.0573245), wk = 0.0029240 k( 137) = ( -0.0509551 0.0509551 0.0509551), wk = 0.0029240 k( 138) = ( -0.0445858 0.0445857 0.0445858), wk = 0.0029240 k( 139) = ( -0.0382164 0.0382164 0.0382164), wk = 0.0029240 k( 140) = ( -0.0318470 0.0318470 0.0318470), wk = 0.0029240 k( 141) = ( -0.0254776 0.0254776 0.0254776), wk = 0.0029240 k( 142) = ( -0.0191082 0.0191082 0.0191082), wk = 0.0029240 k( 143) = ( -0.0127388 0.0127388 0.0127388), wk = 0.0029240 k( 144) = ( -0.0063694 0.0063694 0.0063694), wk = 0.0029240 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 147) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0029240 k( 148) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0029240 k( 149) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0029240 k( 150) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0029240 k( 151) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0029240 k( 152) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0029240 k( 153) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0029240 k( 154) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0029240 k( 155) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0029240 k( 156) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0029240 k( 157) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0029240 k( 158) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0029240 k( 159) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0029240 k( 160) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0029240 k( 161) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0029240 k( 162) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0029240 k( 163) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0029240 k( 164) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0029240 k( 165) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0029240 k( 166) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0029240 k( 167) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0029240 k( 168) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0029240 k( 169) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0029240 k( 170) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0029240 k( 171) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029240 k( 172) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029240 k( 173) = ( 0.4937190 0.5062810 -0.4937190), wk = 0.0029240 k( 174) = ( 0.4874380 0.5125620 -0.4874380), wk = 0.0029240 k( 175) = ( 0.4811570 0.5188430 -0.4811570), wk = 0.0029240 k( 176) = ( 0.4748760 0.5251240 -0.4748760), wk = 0.0029240 k( 177) = ( 0.4685950 0.5314050 -0.4685950), wk = 0.0029240 k( 178) = ( 0.4623140 0.5376860 -0.4623140), wk = 0.0029240 k( 179) = ( 0.4560330 0.5439670 -0.4560330), wk = 0.0029240 k( 180) = ( 0.4497520 0.5502480 -0.4497520), wk = 0.0029240 k( 181) = ( 0.4434710 0.5565290 -0.4434710), wk = 0.0029240 k( 182) = ( 0.4371900 0.5628100 -0.4371900), wk = 0.0029240 k( 183) = ( 0.4309090 0.5690910 -0.4309090), wk = 0.0029240 k( 184) = ( 0.4246280 0.5753720 -0.4246280), wk = 0.0029240 k( 185) = ( 0.4183469 0.5816531 -0.4183469), wk = 0.0029240 k( 186) = ( 0.4120660 0.5879340 -0.4120660), wk = 0.0029240 k( 187) = ( 0.4057849 0.5942151 -0.4057849), wk = 0.0029240 k( 188) = ( 0.3995039 0.6004961 -0.3995039), wk = 0.0029240 k( 189) = ( 0.3932229 0.6067771 -0.3932229), wk = 0.0029240 k( 190) = ( 0.3869419 0.6130581 -0.3869419), wk = 0.0029240 k( 191) = ( 0.3806609 0.6193391 -0.3806609), wk = 0.0029240 k( 192) = ( 0.3743799 0.6256201 -0.3743799), wk = 0.0029240 k( 193) = ( 0.3680989 0.6319011 -0.3680989), wk = 0.0029240 k( 194) = ( 0.3618179 0.6381821 -0.3618179), wk = 0.0029240 k( 195) = ( 0.3555369 0.6444631 -0.3555369), wk = 0.0029240 k( 196) = ( 0.3492559 0.6507441 -0.3492559), wk = 0.0029240 k( 197) = ( 0.3429749 0.6570251 -0.3429749), wk = 0.0029240 k( 198) = ( 0.3366939 0.6633061 -0.3366939), wk = 0.0029240 k( 199) = ( 0.3304129 0.6695871 -0.3304129), wk = 0.0029240 k( 200) = ( 0.3241319 0.6758681 -0.3241319), wk = 0.0029240 k( 201) = ( 0.3178509 0.6821491 -0.3178509), wk = 0.0029240 k( 202) = ( 0.3115699 0.6884301 -0.3115699), wk = 0.0029240 k( 203) = ( 0.3052889 0.6947111 -0.3052889), wk = 0.0029240 k( 204) = ( 0.2990079 0.7009921 -0.2990079), wk = 0.0029240 k( 205) = ( 0.2927269 0.7072731 -0.2927269), wk = 0.0029240 k( 206) = ( 0.2864459 0.7135541 -0.2864459), wk = 0.0029240 k( 207) = ( 0.2801649 0.7198351 -0.2801649), wk = 0.0029240 k( 208) = ( 0.2738839 0.7261161 -0.2738839), wk = 0.0029240 k( 209) = ( 0.2738839 0.7261161 -0.2738839), wk = 0.0029240 k( 210) = ( 0.2528159 0.7087226 -0.2528159), wk = 0.0029240 k( 211) = ( 0.2317479 0.6913290 -0.2317479), wk = 0.0029240 k( 212) = ( 0.2106799 0.6739355 -0.2106799), wk = 0.0029240 k( 213) = ( 0.1896119 0.6565419 -0.1896119), wk = 0.0029240 k( 214) = ( 0.1685439 0.6391484 -0.1685439), wk = 0.0029240 k( 215) = ( 0.1474759 0.6217548 -0.1474759), wk = 0.0029240 k( 216) = ( 0.1264079 0.6043613 -0.1264079), wk = 0.0029240 k( 217) = ( 0.1053400 0.5869677 -0.1053399), wk = 0.0029240 k( 218) = ( 0.0842720 0.5695742 -0.0842720), wk = 0.0029240 k( 219) = ( 0.0632040 0.5521807 -0.0632040), wk = 0.0029240 k( 220) = ( 0.0421360 0.5347871 -0.0421360), wk = 0.0029240 k( 221) = ( 0.0210680 0.5173936 -0.0210680), wk = 0.0029240 k( 222) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029240 k( 223) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029240 k( 224) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0029240 k( 225) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0029240 k( 226) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0029240 k( 227) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0029240 k( 228) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0029240 k( 229) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0029240 k( 230) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0029240 k( 231) = ( 0.0512821 0.4487179 0.0512821), wk = 0.0029240 k( 232) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0029240 k( 233) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0029240 k( 234) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0029240 k( 235) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0029240 k( 236) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029240 k( 237) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0029240 k( 238) = ( 0.0961538 0.4038461 0.0961539), wk = 0.0029240 k( 239) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0029240 k( 240) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0029240 k( 241) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0029240 k( 242) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0029240 k( 243) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0029240 k( 244) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0029240 k( 245) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0029240 k( 246) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0029240 k( 247) = ( 0.1538461 0.3461538 0.1538462), wk = 0.0029240 k( 248) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0029240 k( 249) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029240 k( 250) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0029240 k( 251) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0029240 k( 252) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0029240 k( 253) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0029240 k( 254) = ( 0.1987180 0.3012821 0.1987180), wk = 0.0029240 k( 255) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0029240 k( 256) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0029240 k( 257) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0029240 k( 258) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0029240 k( 259) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0029240 k( 260) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0029240 k( 261) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0029240 k( 262) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029240 k( 263) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029240 k( 264) = ( 0.2678571 0.2678571 0.2287309), wk = 0.0029240 k( 265) = ( 0.2857143 0.2857143 0.2074618), wk = 0.0029240 k( 266) = ( 0.3035714 0.3035714 0.1861926), wk = 0.0029240 k( 267) = ( 0.3214286 0.3214286 0.1649235), wk = 0.0029240 k( 268) = ( 0.3392857 0.3392857 0.1436544), wk = 0.0029240 k( 269) = ( 0.3571429 0.3571429 0.1223853), wk = 0.0029240 k( 270) = ( 0.3750000 0.3750000 0.1011161), wk = 0.0029240 k( 271) = ( 0.3928571 0.3928571 0.0798470), wk = 0.0029240 k( 272) = ( 0.4107143 0.4107143 0.0585779), wk = 0.0029240 k( 273) = ( 0.4285714 0.4285714 0.0373088), wk = 0.0029240 k( 274) = ( 0.4464286 0.4464286 0.0160396), wk = 0.0029240 k( 275) = ( 0.4642857 0.4642857 -0.0052295), wk = 0.0029240 k( 276) = ( 0.4821429 0.4821429 -0.0264986), wk = 0.0029240 k( 277) = ( 0.5000000 0.5000000 -0.0477677), wk = 0.0029240 k( 278) = ( 0.5000000 0.5000000 -0.0477677), wk = 0.0029240 k( 279) = ( 0.5000000 0.5000000 -0.0568124), wk = 0.0029240 k( 280) = ( 0.5000000 0.5000000 -0.0658570), wk = 0.0029240 k( 281) = ( 0.5000000 0.5000000 -0.0749017), wk = 0.0029240 k( 282) = ( 0.5000000 0.5000000 -0.0839463), wk = 0.0029240 k( 283) = ( 0.5000000 0.5000000 -0.0929910), wk = 0.0029240 k( 284) = ( 0.5000000 0.5000000 -0.1020356), wk = 0.0029240 k( 285) = ( 0.5000000 0.5000000 -0.1110802), wk = 0.0029240 k( 286) = ( 0.5000000 0.5000000 -0.1201249), wk = 0.0029240 k( 287) = ( 0.5000000 0.5000000 -0.1291695), wk = 0.0029240 k( 288) = ( 0.5000000 0.5000000 -0.1382142), wk = 0.0029240 k( 289) = ( 0.5000000 0.5000000 -0.1472588), wk = 0.0029240 k( 290) = ( 0.5000000 0.5000000 -0.1563035), wk = 0.0029240 k( 291) = ( 0.5000000 0.5000000 -0.1653481), wk = 0.0029240 k( 292) = ( 0.5000000 0.5000000 -0.1743928), wk = 0.0029240 k( 293) = ( 0.5000000 0.5000000 -0.1834374), wk = 0.0029240 k( 294) = ( 0.5000000 0.5000000 -0.1924821), wk = 0.0029240 k( 295) = ( 0.5000000 0.5000000 -0.2015267), wk = 0.0029240 k( 296) = ( 0.5000000 0.5000000 -0.2105713), wk = 0.0029240 k( 297) = ( 0.5000000 0.5000000 -0.2196160), wk = 0.0029240 k( 298) = ( 0.5000000 0.5000000 -0.2286606), wk = 0.0029240 k( 299) = ( 0.5000000 0.5000000 -0.2377053), wk = 0.0029240 k( 300) = ( 0.5000000 0.5000000 -0.2467499), wk = 0.0029240 k( 301) = ( 0.5000000 0.5000000 -0.2557946), wk = 0.0029240 k( 302) = ( 0.5000000 0.5000000 -0.2648392), wk = 0.0029240 k( 303) = ( 0.5000000 0.5000000 -0.2738839), wk = 0.0029240 k( 304) = ( 0.5000000 0.5000000 -0.2829285), wk = 0.0029240 k( 305) = ( 0.5000000 0.5000000 -0.2919732), wk = 0.0029240 k( 306) = ( 0.5000000 0.5000000 -0.3010178), wk = 0.0029240 k( 307) = ( 0.5000000 0.5000000 -0.3100624), wk = 0.0029240 k( 308) = ( 0.5000000 0.5000000 -0.3191071), wk = 0.0029240 k( 309) = ( 0.5000000 0.5000000 -0.3281517), wk = 0.0029240 k( 310) = ( 0.5000000 0.5000000 -0.3371964), wk = 0.0029240 k( 311) = ( 0.5000000 0.5000000 -0.3462410), wk = 0.0029240 k( 312) = ( 0.5000000 0.5000000 -0.3552857), wk = 0.0029240 k( 313) = ( 0.5000000 0.5000000 -0.3643303), wk = 0.0029240 k( 314) = ( 0.5000000 0.5000000 -0.3733750), wk = 0.0029240 k( 315) = ( 0.5000000 0.5000000 -0.3824196), wk = 0.0029240 k( 316) = ( 0.5000000 0.5000000 -0.3914643), wk = 0.0029240 k( 317) = ( 0.5000000 0.5000000 -0.4005089), wk = 0.0029240 k( 318) = ( 0.5000000 0.5000000 -0.4095535), wk = 0.0029240 k( 319) = ( 0.5000000 0.5000000 -0.4185982), wk = 0.0029240 k( 320) = ( 0.5000000 0.5000000 -0.4276428), wk = 0.0029240 k( 321) = ( 0.5000000 0.5000000 -0.4366875), wk = 0.0029240 k( 322) = ( 0.5000000 0.5000000 -0.4457321), wk = 0.0029240 k( 323) = ( 0.5000000 0.5000000 -0.4547768), wk = 0.0029240 k( 324) = ( 0.5000000 0.5000000 -0.4638214), wk = 0.0029240 k( 325) = ( 0.5000000 0.5000000 -0.4728661), wk = 0.0029240 k( 326) = ( 0.5000000 0.5000000 -0.4819107), wk = 0.0029240 k( 327) = ( 0.5000000 0.5000000 -0.4909554), wk = 0.0029240 k( 328) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029240 k( 329) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 330) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0029240 k( 331) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0029240 k( 332) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0029240 k( 333) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0029240 k( 334) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0029240 k( 335) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0029240 k( 336) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0029240 k( 337) = ( 0.1538461 0.1538461 0.3461539), wk = 0.0029240 k( 338) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0029240 k( 339) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0029240 k( 340) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0029240 k( 341) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0029240 k( 342) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029240 Dense grid: 69467 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 498, 60) NL pseudopotentials 0.65 Mb ( 249, 171) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1930) G-vector shells 0.01 Mb ( 922) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.82 Mb ( 498, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.31 Mb ( 171, 2, 60) The potential is recalculated from file : ./BaxMnPx2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 7.6 secs Computing kpt #: 4 total cpu time spent up to now is 9.1 secs Computing kpt #: 5 total cpu time spent up to now is 10.7 secs Computing kpt #: 6 total cpu time spent up to now is 12.5 secs Computing kpt #: 7 total cpu time spent up to now is 14.2 secs Computing kpt #: 8 total cpu time spent up to now is 15.7 secs Computing kpt #: 9 total cpu time spent up to now is 17.3 secs Computing kpt #: 10 total cpu time spent up to now is 18.8 secs Computing kpt #: 11 total cpu time spent up to now is 20.3 secs Computing kpt #: 12 total cpu time spent up to now is 21.8 secs Computing kpt #: 13 total cpu time spent up to now is 23.3 secs Computing kpt #: 14 total cpu time spent up to now is 24.7 secs Computing kpt #: 15 total cpu time spent up to now is 26.2 secs Computing kpt #: 16 total cpu time spent up to now is 27.7 secs Computing kpt #: 17 total cpu time spent up to now is 29.1 secs Computing kpt #: 18 total cpu time spent up to now is 30.6 secs Computing kpt #: 19 total cpu time spent up to now is 32.1 secs Computing kpt #: 20 total cpu time spent up to now is 33.5 secs Computing kpt #: 21 total cpu time spent up to now is 35.0 secs Computing kpt #: 22 total cpu time spent up to now is 36.4 secs Computing kpt #: 23 total cpu time spent up to now is 37.8 secs Computing kpt #: 24 total cpu time spent up to now is 39.3 secs Computing kpt #: 25 total cpu time spent up to now is 40.7 secs Computing kpt #: 26 total cpu time spent up to now is 42.2 secs Computing kpt #: 27 total cpu time spent up to now is 43.6 secs Computing kpt #: 28 total cpu time spent up to now is 45.1 secs Computing kpt #: 29 total cpu time spent up to now is 46.5 secs Computing kpt #: 30 total cpu time spent up to now is 48.0 secs Computing kpt #: 31 total cpu time spent up to now is 49.4 secs Computing kpt #: 32 total cpu time spent up to now is 50.8 secs Computing kpt #: 33 total cpu time spent up to now is 52.2 secs Computing kpt #: 34 total cpu time spent up to now is 53.7 secs Computing kpt #: 35 total cpu time spent up to now is 55.1 secs Computing kpt #: 36 total cpu time spent up to now is 56.5 secs Computing kpt #: 37 total cpu time spent up to now is 57.9 secs Computing kpt #: 38 total cpu time spent up to now is 59.4 secs Computing kpt #: 39 total cpu time spent up to now is 60.8 secs Computing kpt #: 40 total cpu time spent up to now is 62.2 secs Computing kpt #: 41 total cpu time spent up to now is 63.6 secs Computing kpt #: 42 total cpu time spent up to now is 65.0 secs Computing kpt #: 43 total cpu time spent up to now is 66.4 secs Computing kpt #: 44 total cpu time spent up to now is 67.8 secs Computing kpt #: 45 total cpu time spent up to now is 69.2 secs Computing kpt #: 46 total cpu time spent up to now is 70.6 secs Computing kpt #: 47 total cpu time spent up to now is 72.0 secs Computing kpt #: 48 total cpu time spent up to now is 73.4 secs Computing kpt #: 49 total cpu time spent up to now is 74.7 secs Computing kpt #: 50 total cpu time spent up to now is 76.1 secs Computing kpt #: 51 total cpu time spent up to now is 77.4 secs Computing kpt #: 52 total cpu time spent up to now is 78.8 secs Computing kpt #: 53 total cpu time spent up to now is 80.1 secs Computing kpt #: 54 total cpu time spent up to now is 81.5 secs Computing kpt #: 55 total cpu time spent up to now is 82.9 secs Computing kpt #: 56 total cpu time spent up to now is 84.2 secs Computing kpt #: 57 total cpu time spent up to now is 85.6 secs Computing kpt #: 58 total cpu time spent up to now is 87.0 secs Computing kpt #: 59 total cpu time spent up to now is 88.3 secs Computing kpt #: 60 total cpu time spent up to now is 89.7 secs Computing kpt #: 61 total cpu time spent up to now is 91.1 secs Computing kpt #: 62 total cpu time spent up to now is 92.4 secs Computing kpt #: 63 total cpu time spent up to now is 93.8 secs Computing kpt #: 64 total cpu time spent up to now is 95.2 secs Computing kpt #: 65 total cpu time spent up to now is 96.6 secs Computing kpt #: 66 total cpu time spent up to now is 97.9 secs Computing kpt #: 67 total cpu time spent up to now is 99.4 secs Computing kpt #: 68 total cpu time spent up to now is 100.7 secs Computing kpt #: 69 total cpu time spent up to now is 102.2 secs Computing kpt #: 70 total cpu time spent up to now is 103.6 secs Computing kpt #: 71 total cpu time spent up to now is 105.0 secs Computing kpt #: 72 total cpu time spent up to now is 106.4 secs Computing kpt #: 73 total cpu time spent up to now is 107.8 secs Computing kpt #: 74 total cpu time spent up to now is 109.2 secs Computing kpt #: 75 total cpu time spent up to now is 110.6 secs Computing kpt #: 76 total cpu time spent up to now is 112.0 secs Computing kpt #: 77 total cpu time spent up to now is 113.5 secs Computing kpt #: 78 total cpu time spent up to now is 114.9 secs Computing kpt #: 79 total cpu time spent up to now is 116.3 secs Computing kpt #: 80 total cpu time spent up to now is 117.7 secs Computing kpt #: 81 total cpu time spent up to now is 119.2 secs Computing kpt #: 82 total cpu time spent up to now is 120.6 secs Computing kpt #: 83 total cpu time spent up to now is 122.1 secs Computing kpt #: 84 total cpu time spent up to now is 123.6 secs Computing kpt #: 85 total cpu time spent up to now is 125.1 secs Computing kpt #: 86 total cpu time spent up to now is 126.5 secs Computing kpt #: 87 total cpu time spent up to now is 128.0 secs Computing kpt #: 88 total cpu time spent up to now is 129.5 secs Computing kpt #: 89 total cpu time spent up to now is 131.0 secs Computing kpt #: 90 total cpu time spent up to now is 132.6 secs Computing kpt #: 91 total cpu time spent up to now is 134.1 secs Computing kpt #: 92 total cpu time spent up to now is 135.6 secs Computing kpt #: 93 total cpu time spent up to now is 137.1 secs Computing kpt #: 94 total cpu time spent up to now is 138.6 secs Computing kpt #: 95 total cpu time spent up to now is 140.1 secs Computing kpt #: 96 total cpu time spent up to now is 141.7 secs Computing kpt #: 97 total cpu time spent up to now is 143.2 secs Computing kpt #: 98 total cpu time spent up to now is 144.8 secs Computing kpt #: 99 total cpu time spent up to now is 146.4 secs Computing kpt #: 100 total cpu time spent up to now is 148.0 secs Computing kpt #: 101 total cpu time spent up to now is 149.5 secs Computing kpt #: 102 total cpu time spent up to now is 151.1 secs Computing kpt #: 103 total cpu time spent up to now is 152.6 secs Computing kpt #: 104 total cpu time spent up to now is 154.1 secs Computing kpt #: 105 total cpu time spent up to now is 155.6 secs Computing kpt #: 106 total cpu time spent up to now is 157.1 secs Computing kpt #: 107 total cpu time spent up to now is 158.5 secs Computing kpt #: 108 total cpu time spent up to now is 160.0 secs Computing kpt #: 109 total cpu time spent up to now is 161.4 secs Computing kpt #: 110 total cpu time spent up to now is 162.9 secs Computing kpt #: 111 total cpu time spent up to now is 164.3 secs Computing kpt #: 112 total cpu time spent up to now is 165.8 secs Computing kpt #: 113 total cpu time spent up to now is 167.2 secs Computing kpt #: 114 total cpu time spent up to now is 168.6 secs Computing kpt #: 115 total cpu time spent up to now is 170.0 secs Computing kpt #: 116 total cpu time spent up to now is 171.4 secs Computing kpt #: 117 total cpu time spent up to now is 172.8 secs Computing kpt #: 118 total cpu time spent up to now is 174.2 secs Computing kpt #: 119 total cpu time spent up to now is 175.6 secs Computing kpt #: 120 total cpu time spent up to now is 177.0 secs Computing kpt #: 121 total cpu time spent up to now is 178.4 secs Computing kpt #: 122 total cpu time spent up to now is 179.9 secs Computing kpt #: 123 total cpu time spent up to now is 181.3 secs Computing kpt #: 124 total cpu time spent up to now is 182.7 secs Computing kpt #: 125 total cpu time spent up to now is 184.1 secs Computing kpt #: 126 total cpu time spent up to now is 185.5 secs Computing kpt #: 127 total cpu time spent up to now is 187.0 secs Computing kpt #: 128 total cpu time spent up to now is 188.4 secs Computing kpt #: 129 total cpu time spent up to now is 189.9 secs Computing kpt #: 130 total cpu time spent up to now is 191.4 secs Computing kpt #: 131 total cpu time spent up to now is 192.9 secs Computing kpt #: 132 total cpu time spent up to now is 194.4 secs Computing kpt #: 133 total cpu time spent up to now is 195.9 secs Computing kpt #: 134 total cpu time spent up to now is 197.4 secs Computing kpt #: 135 total cpu time spent up to now is 199.0 secs Computing kpt #: 136 total cpu time spent up to now is 200.6 secs Computing kpt #: 137 total cpu time spent up to now is 202.2 secs Computing kpt #: 138 total cpu time spent up to now is 203.8 secs Computing kpt #: 139 total cpu time spent up to now is 205.3 secs Computing kpt #: 140 total cpu time spent up to now is 206.9 secs Computing kpt #: 141 total cpu time spent up to now is 208.5 secs Computing kpt #: 142 total cpu time spent up to now is 210.1 secs Computing kpt #: 143 total cpu time spent up to now is 211.7 secs Computing kpt #: 144 total cpu time spent up to now is 213.3 secs Computing kpt #: 145 total cpu time spent up to now is 214.8 secs Computing kpt #: 146 total cpu time spent up to now is 216.3 secs Computing kpt #: 147 total cpu time spent up to now is 217.8 secs Computing kpt #: 148 total cpu time spent up to now is 219.3 secs Computing kpt #: 149 total cpu time spent up to now is 220.8 secs Computing kpt #: 150 total cpu time spent up to now is 222.4 secs Computing kpt #: 151 total cpu time spent up to now is 224.0 secs Computing kpt #: 152 total cpu time spent up to now is 225.6 secs Computing kpt #: 153 total cpu time spent up to now is 227.2 secs Computing kpt #: 154 total cpu time spent up to now is 229.5 secs Computing kpt #: 155 total cpu time spent up to now is 231.4 secs Computing kpt #: 156 total cpu time spent up to now is 232.9 secs Computing kpt #: 157 total cpu time spent up to now is 234.5 secs Computing kpt #: 158 total cpu time spent up to now is 236.0 secs Computing kpt #: 159 total cpu time spent up to now is 237.5 secs Computing kpt #: 160 total cpu time spent up to now is 239.0 secs Computing kpt #: 161 total cpu time spent up to now is 240.5 secs Computing kpt #: 162 total cpu time spent up to now is 242.0 secs Computing kpt #: 163 total cpu time spent up to now is 243.5 secs Computing kpt #: 164 total cpu time spent up to now is 245.1 secs Computing kpt #: 165 total cpu time spent up to now is 246.6 secs Computing kpt #: 166 total cpu time spent up to now is 248.1 secs Computing kpt #: 167 total cpu time spent up to now is 249.6 secs Computing kpt #: 168 total cpu time spent up to now is 251.1 secs Computing kpt #: 169 total cpu time spent up to now is 252.8 secs Computing kpt #: 170 total cpu time spent up to now is 254.6 secs Computing kpt #: 171 total cpu time spent up to now is 256.3 secs Computing kpt #: 172 total cpu time spent up to now is 257.7 secs Computing kpt #: 173 total cpu time spent up to now is 259.2 secs Computing kpt #: 174 total cpu time spent up to now is 260.7 secs Computing kpt #: 175 total cpu time spent up to now is 262.1 secs Computing kpt #: 176 total cpu time spent up to now is 263.6 secs Computing kpt #: 177 total cpu time spent up to now is 265.0 secs Computing kpt #: 178 total cpu time spent up to now is 266.5 secs Computing kpt #: 179 total cpu time spent up to now is 267.9 secs Computing kpt #: 180 total cpu time spent up to now is 269.4 secs Computing kpt #: 181 total cpu time spent up to now is 270.9 secs Computing kpt #: 182 total cpu time spent up to now is 272.3 secs Computing kpt #: 183 total cpu time spent up to now is 273.8 secs Computing kpt #: 184 total cpu time spent up to now is 275.3 secs Computing kpt #: 185 total cpu time spent up to now is 276.8 secs Computing kpt #: 186 total cpu time spent up to now is 278.3 secs Computing kpt #: 187 total cpu time spent up to now is 279.8 secs Computing kpt #: 188 total cpu time spent up to now is 281.3 secs Computing kpt #: 189 total cpu time spent up to now is 282.9 secs Computing kpt #: 190 total cpu time spent up to now is 284.4 secs Computing kpt #: 191 total cpu time spent up to now is 286.0 secs Computing kpt #: 192 total cpu time spent up to now is 287.6 secs Computing kpt #: 193 total cpu time spent up to now is 289.1 secs Computing kpt #: 194 total cpu time spent up to now is 290.7 secs Computing kpt #: 195 total cpu time spent up to now is 292.3 secs Computing kpt #: 196 total cpu time spent up to now is 293.9 secs Computing kpt #: 197 total cpu time spent up to now is 295.5 secs Computing kpt #: 198 total cpu time spent up to now is 297.0 secs Computing kpt #: 199 total cpu time spent up to now is 298.5 secs Computing kpt #: 200 total cpu time spent up to now is 300.1 secs Computing kpt #: 201 total cpu time spent up to now is 301.6 secs Computing kpt #: 202 total cpu time spent up to now is 303.2 secs Computing kpt #: 203 total cpu time spent up to now is 304.8 secs Computing kpt #: 204 total cpu time spent up to now is 306.4 secs Computing kpt #: 205 total cpu time spent up to now is 307.9 secs Computing kpt #: 206 total cpu time spent up to now is 309.5 secs Computing kpt #: 207 total cpu time spent up to now is 311.1 secs Computing kpt #: 208 total cpu time spent up to now is 313.2 secs Computing kpt #: 209 total cpu time spent up to now is 314.7 secs Computing kpt #: 210 total cpu time spent up to now is 316.3 secs Computing kpt #: 211 total cpu time spent up to now is 317.9 secs Computing kpt #: 212 total cpu time spent up to now is 319.4 secs Computing kpt #: 213 total cpu time spent up to now is 320.9 secs Computing kpt #: 214 total cpu time spent up to now is 322.4 secs Computing kpt #: 215 total cpu time spent up to now is 323.9 secs Computing kpt #: 216 total cpu time spent up to now is 325.4 secs Computing kpt #: 217 total cpu time spent up to now is 326.9 secs Computing kpt #: 218 total cpu time spent up to now is 328.4 secs Computing kpt #: 219 total cpu time spent up to now is 329.9 secs Computing kpt #: 220 total cpu time spent up to now is 331.3 secs Computing kpt #: 221 total cpu time spent up to now is 332.8 secs Computing kpt #: 222 total cpu time spent up to now is 334.2 secs Computing kpt #: 223 total cpu time spent up to now is 335.6 secs Computing kpt #: 224 total cpu time spent up to now is 337.1 secs Computing kpt #: 225 total cpu time spent up to now is 338.6 secs Computing kpt #: 226 total cpu time spent up to now is 340.0 secs Computing kpt #: 227 total cpu time spent up to now is 341.5 secs Computing kpt #: 228 total cpu time spent up to now is 343.0 secs Computing kpt #: 229 total cpu time spent up to now is 344.5 secs Computing kpt #: 230 total cpu time spent up to now is 346.0 secs Computing kpt #: 231 total cpu time spent up to now is 347.5 secs Computing kpt #: 232 total cpu time spent up to now is 349.0 secs Computing kpt #: 233 total cpu time spent up to now is 350.5 secs Computing kpt #: 234 total cpu time spent up to now is 351.9 secs Computing kpt #: 235 total cpu time spent up to now is 353.4 secs Computing kpt #: 236 total cpu time spent up to now is 354.9 secs Computing kpt #: 237 total cpu time spent up to now is 356.4 secs Computing kpt #: 238 total cpu time spent up to now is 357.9 secs Computing kpt #: 239 total cpu time spent up to now is 359.3 secs Computing kpt #: 240 total cpu time spent up to now is 360.8 secs Computing kpt #: 241 total cpu time spent up to now is 362.2 secs Computing kpt #: 242 total cpu time spent up to now is 363.7 secs Computing kpt #: 243 total cpu time spent up to now is 365.1 secs Computing kpt #: 244 total cpu time spent up to now is 366.6 secs Computing kpt #: 245 total cpu time spent up to now is 368.0 secs Computing kpt #: 246 total cpu time spent up to now is 369.4 secs Computing kpt #: 247 total cpu time spent up to now is 370.9 secs Computing kpt #: 248 total cpu time spent up to now is 372.3 secs Computing kpt #: 249 total cpu time spent up to now is 373.7 secs Computing kpt #: 250 total cpu time spent up to now is 375.2 secs Computing kpt #: 251 total cpu time spent up to now is 376.6 secs Computing kpt #: 252 total cpu time spent up to now is 378.0 secs Computing kpt #: 253 total cpu time spent up to now is 379.4 secs Computing kpt #: 254 total cpu time spent up to now is 380.8 secs Computing kpt #: 255 total cpu time spent up to now is 382.2 secs Computing kpt #: 256 total cpu time spent up to now is 383.6 secs Computing kpt #: 257 total cpu time spent up to now is 385.0 secs Computing kpt #: 258 total cpu time spent up to now is 386.3 secs Computing kpt #: 259 total cpu time spent up to now is 387.7 secs Computing kpt #: 260 total cpu time spent up to now is 389.1 secs Computing kpt #: 261 total cpu time spent up to now is 390.4 secs Computing kpt #: 262 total cpu time spent up to now is 391.7 secs Computing kpt #: 263 total cpu time spent up to now is 393.1 secs Computing kpt #: 264 total cpu time spent up to now is 394.4 secs Computing kpt #: 265 total cpu time spent up to now is 395.8 secs Computing kpt #: 266 total cpu time spent up to now is 397.1 secs Computing kpt #: 267 total cpu time spent up to now is 398.5 secs Computing kpt #: 268 total cpu time spent up to now is 399.8 secs Computing kpt #: 269 total cpu time spent up to now is 401.2 secs Computing kpt #: 270 total cpu time spent up to now is 402.6 secs Computing kpt #: 271 total cpu time spent up to now is 404.0 secs Computing kpt #: 272 total cpu time spent up to now is 405.3 secs Computing kpt #: 273 total cpu time spent up to now is 406.7 secs Computing kpt #: 274 total cpu time spent up to now is 408.1 secs Computing kpt #: 275 total cpu time spent up to now is 409.5 secs Computing kpt #: 276 total cpu time spent up to now is 410.8 secs Computing kpt #: 277 total cpu time spent up to now is 412.2 secs Computing kpt #: 278 total cpu time spent up to now is 413.6 secs Computing kpt #: 279 total cpu time spent up to now is 415.0 secs Computing kpt #: 280 total cpu time spent up to now is 416.3 secs Computing kpt #: 281 total cpu time spent up to now is 417.7 secs Computing kpt #: 282 total cpu time spent up to now is 419.1 secs Computing kpt #: 283 total cpu time spent up to now is 420.5 secs Computing kpt #: 284 total cpu time spent up to now is 421.9 secs Computing kpt #: 285 total cpu time spent up to now is 423.3 secs Computing kpt #: 286 total cpu time spent up to now is 424.6 secs Computing kpt #: 287 total cpu time spent up to now is 426.0 secs Computing kpt #: 288 total cpu time spent up to now is 427.4 secs Computing kpt #: 289 total cpu time spent up to now is 428.8 secs Computing kpt #: 290 total cpu time spent up to now is 430.1 secs Computing kpt #: 291 total cpu time spent up to now is 431.5 secs Computing kpt #: 292 total cpu time spent up to now is 432.9 secs Computing kpt #: 293 total cpu time spent up to now is 434.4 secs Computing kpt #: 294 total cpu time spent up to now is 435.7 secs Computing kpt #: 295 total cpu time spent up to now is 437.1 secs Computing kpt #: 296 total cpu time spent up to now is 438.5 secs Computing kpt #: 297 total cpu time spent up to now is 439.9 secs Computing kpt #: 298 total cpu time spent up to now is 441.3 secs Computing kpt #: 299 total cpu time spent up to now is 442.7 secs Computing kpt #: 300 total cpu time spent up to now is 444.1 secs Computing kpt #: 301 total cpu time spent up to now is 445.5 secs Computing kpt #: 302 total cpu time spent up to now is 446.9 secs Computing kpt #: 303 total cpu time spent up to now is 448.4 secs Computing kpt #: 304 total cpu time spent up to now is 449.8 secs Computing kpt #: 305 total cpu time spent up to now is 451.2 secs Computing kpt #: 306 total cpu time spent up to now is 452.7 secs Computing kpt #: 307 total cpu time spent up to now is 454.1 secs Computing kpt #: 308 total cpu time spent up to now is 455.6 secs Computing kpt #: 309 total cpu time spent up to now is 457.2 secs Computing kpt #: 310 total cpu time spent up to now is 458.7 secs Computing kpt #: 311 total cpu time spent up to now is 460.3 secs Computing kpt #: 312 total cpu time spent up to now is 461.9 secs Computing kpt #: 313 total cpu time spent up to now is 463.3 secs Computing kpt #: 314 total cpu time spent up to now is 464.8 secs Computing kpt #: 315 total cpu time spent up to now is 466.2 secs Computing kpt #: 316 total cpu time spent up to now is 467.6 secs Computing kpt #: 317 total cpu time spent up to now is 469.1 secs Computing kpt #: 318 total cpu time spent up to now is 470.5 secs Computing kpt #: 319 total cpu time spent up to now is 472.0 secs Computing kpt #: 320 total cpu time spent up to now is 473.4 secs Computing kpt #: 321 total cpu time spent up to now is 474.8 secs Computing kpt #: 322 total cpu time spent up to now is 476.3 secs Computing kpt #: 323 total cpu time spent up to now is 477.7 secs Computing kpt #: 324 total cpu time spent up to now is 479.1 secs Computing kpt #: 325 total cpu time spent up to now is 480.6 secs Computing kpt #: 326 total cpu time spent up to now is 482.0 secs Computing kpt #: 327 total cpu time spent up to now is 483.5 secs Computing kpt #: 328 total cpu time spent up to now is 485.2 secs Computing kpt #: 329 total cpu time spent up to now is 486.6 secs Computing kpt #: 330 total cpu time spent up to now is 487.9 secs Computing kpt #: 331 total cpu time spent up to now is 489.3 secs Computing kpt #: 332 total cpu time spent up to now is 490.6 secs Computing kpt #: 333 total cpu time spent up to now is 492.0 secs Computing kpt #: 334 total cpu time spent up to now is 493.3 secs Computing kpt #: 335 total cpu time spent up to now is 494.7 secs Computing kpt #: 336 total cpu time spent up to now is 496.0 secs Computing kpt #: 337 total cpu time spent up to now is 497.4 secs Computing kpt #: 338 total cpu time spent up to now is 498.7 secs Computing kpt #: 339 total cpu time spent up to now is 500.1 secs Computing kpt #: 340 total cpu time spent up to now is 501.4 secs Computing kpt #: 341 total cpu time spent up to now is 502.8 secs Computing kpt #: 342 total cpu time spent up to now is 504.1 secs ethr = 2.00E-08, avg # of iterations = 14.7 total cpu time spent up to now is 504.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8699 PWs) bands (ev): -68.3414 -68.3414 -68.3239 -68.3239 -38.1271 -38.1271 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8069 -17.8069 -4.3578 -4.3578 -2.5020 -2.5020 -2.2081 -2.2081 -0.9266 -0.9266 0.6084 0.6084 5.4251 5.4251 7.0635 7.0635 7.2184 7.2184 7.2376 7.2376 7.8562 7.8562 7.8664 7.8664 8.2954 8.2954 9.4663 9.4663 9.7845 9.7845 10.5120 10.5120 10.5324 10.5324 10.5762 10.5762 10.8070 10.8070 11.2827 11.2827 12.0855 12.0855 12.3985 12.3985 k = 0.0000 0.0000 0.0223 ( 8689 PWs) bands (ev): -68.3411 -68.3411 -68.3230 -68.3230 -38.1270 -38.1270 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8068 -17.8068 -4.3580 -4.3580 -2.5021 -2.5021 -2.2091 -2.2091 -0.9248 -0.9248 0.6080 0.6080 5.4266 5.4266 7.0643 7.0643 7.2174 7.2174 7.2368 7.2368 7.8546 7.8546 7.8654 7.8654 8.2967 8.2967 9.4666 9.4666 9.7877 9.7877 10.5136 10.5136 10.5308 10.5308 10.5752 10.5752 10.8087 10.8087 11.2944 11.2944 12.0874 12.0874 12.3918 12.3918 k = 0.0000 0.0000 0.0446 ( 8679 PWs) bands (ev): -68.3405 -68.3405 -68.3226 -68.3226 -38.1270 -38.1270 -38.0715 -38.0715 -36.9737 -36.9737 -36.8782 -36.8782 -36.8618 -36.8618 -36.8486 -36.8486 -17.8066 -17.8066 -4.3586 -4.3586 -2.5023 -2.5023 -2.2122 -2.2122 -0.9196 -0.9196 0.6067 0.6067 5.4321 5.4321 7.0660 7.0660 7.2130 7.2130 7.2349 7.2349 7.8474 7.8474 7.8644 7.8644 8.2997 8.2997 9.4728 9.4728 9.7897 9.7897 10.5134 10.5134 10.5252 10.5252 10.5719 10.5719 10.8119 10.8119 11.2996 11.2996 12.0925 12.0925 12.3625 12.3625 k = 0.0000 0.0000 0.0669 ( 8679 PWs) bands (ev): -68.3400 -68.3400 -68.3230 -68.3230 -38.1269 -38.1269 -38.0716 -38.0716 -36.9736 -36.9736 -36.8784 -36.8784 -36.8618 -36.8618 -36.8486 -36.8486 -17.8062 -17.8062 -4.3596 -4.3596 -2.5027 -2.5027 -2.2173 -2.2173 -0.9111 -0.9111 0.6046 0.6046 5.4409 5.4409 7.0678 7.0678 7.2032 7.2032 7.2330 7.2330 7.8331 7.8331 7.8658 7.8658 8.3040 8.3040 9.4783 9.4783 9.7900 9.7900 10.5059 10.5059 10.5193 10.5193 10.5684 10.5684 10.8140 10.8140 11.2965 11.2965 12.1000 12.1000 12.3139 12.3139 k = 0.0000 0.0000 0.0892 ( 8679 PWs) bands (ev): -68.3404 -68.3404 -68.3226 -68.3226 -38.1267 -38.1267 -38.0718 -38.0718 -36.9733 -36.9733 -36.8787 -36.8787 -36.8618 -36.8618 -36.8487 -36.8487 -17.8056 -17.8056 -4.3610 -4.3610 -2.5033 -2.5033 -2.2243 -2.2243 -0.8993 -0.8993 0.6017 0.6017 5.4525 5.4525 7.0714 7.0714 7.1883 7.1883 7.2335 7.2335 7.8115 7.8115 7.8683 7.8683 8.3077 8.3077 9.4829 9.4829 9.7925 9.7925 10.4902 10.4902 10.5113 10.5113 10.5602 10.5602 10.8175 10.8175 11.3012 11.3012 12.1106 12.1106 12.2556 12.2556 k = 0.0000 0.0000 0.1115 ( 8669 PWs) bands (ev): -68.3405 -68.3405 -68.3214 -68.3214 -38.1265 -38.1265 -38.0720 -38.0720 -36.9729 -36.9729 -36.8791 -36.8791 -36.8617 -36.8617 -36.8487 -36.8487 -17.8049 -17.8049 -4.3629 -4.3629 -2.5040 -2.5040 -2.2331 -2.2331 -0.8844 -0.8844 0.5982 0.5982 5.4672 5.4672 7.0782 7.0782 7.1702 7.1702 7.2373 7.2373 7.7844 7.7844 7.8722 7.8722 8.3165 8.3165 9.4876 9.4876 9.7960 9.7960 10.4696 10.4696 10.5015 10.5015 10.5525 10.5525 10.8202 10.8202 11.3009 11.3009 12.1248 12.1248 12.1945 12.1945 k = 0.0000 0.0000 0.1338 ( 8673 PWs) bands (ev): -68.3405 -68.3405 -68.3219 -68.3219 -38.1263 -38.1263 -38.0722 -38.0722 -36.9725 -36.9725 -36.8795 -36.8795 -36.8617 -36.8617 -36.8488 -36.8488 -17.8040 -17.8040 -4.3651 -4.3651 -2.5049 -2.5049 -2.2434 -2.2434 -0.8665 -0.8665 0.5938 0.5938 5.4849 5.4849 7.0831 7.0831 7.1462 7.1462 7.2404 7.2404 7.7519 7.7519 7.8769 7.8769 8.3251 8.3251 9.4933 9.4933 9.7912 9.7912 10.4446 10.4446 10.4925 10.4925 10.5447 10.5447 10.8251 10.8251 11.2998 11.2998 12.1263 12.1263 12.1396 12.1396 k = 0.0000 0.0000 0.1560 ( 8677 PWs) bands (ev): -68.3404 -68.3404 -68.3224 -68.3224 -38.1260 -38.1260 -38.0725 -38.0725 -36.9721 -36.9721 -36.8800 -36.8800 -36.8616 -36.8616 -36.8488 -36.8488 -17.8030 -17.8030 -4.3677 -4.3677 -2.5058 -2.5058 -2.2552 -2.2552 -0.8460 -0.8460 0.5887 0.5887 5.5056 5.5056 7.0849 7.0849 7.1221 7.1221 7.2424 7.2424 7.7143 7.7143 7.8821 7.8821 8.3352 8.3352 9.5000 9.5000 9.7932 9.7932 10.4151 10.4151 10.4822 10.4822 10.5359 10.5359 10.8307 10.8307 11.2937 11.2937 12.0594 12.0594 12.1528 12.1528 k = 0.0000 0.0000 0.1783 ( 8685 PWs) bands (ev): -68.3407 -68.3407 -68.3230 -68.3230 -38.1257 -38.1257 -38.0728 -38.0728 -36.9716 -36.9716 -36.8806 -36.8806 -36.8616 -36.8616 -36.8489 -36.8489 -17.8018 -17.8018 -4.3707 -4.3707 -2.5069 -2.5069 -2.2682 -2.2682 -0.8229 -0.8229 0.5828 0.5828 5.5287 5.5287 7.0727 7.0727 7.1087 7.1087 7.2450 7.2450 7.6719 7.6719 7.8879 7.8879 8.3457 8.3457 9.5054 9.5054 9.7941 9.7941 10.3824 10.3824 10.4691 10.4691 10.5238 10.5238 10.8367 10.8367 11.2931 11.2931 11.9908 11.9908 12.1658 12.1658 k = 0.0000 0.0000 0.2006 ( 8681 PWs) bands (ev): -68.3406 -68.3406 -68.3227 -68.3227 -38.1253 -38.1253 -38.0732 -38.0732 -36.9710 -36.9710 -36.8813 -36.8813 -36.8614 -36.8614 -36.8490 -36.8490 -17.8005 -17.8005 -4.3741 -4.3741 -2.5082 -2.5082 -2.2822 -2.2822 -0.7975 -0.7975 0.5765 0.5765 5.5546 5.5546 7.0432 7.0432 7.1121 7.1121 7.2506 7.2506 7.6255 7.6255 7.8941 7.8941 8.3579 8.3579 9.5130 9.5130 9.7971 9.7971 10.3471 10.3471 10.4560 10.4560 10.5120 10.5120 10.8440 10.8440 11.2943 11.2943 11.9236 11.9236 12.1785 12.1785 k = 0.0000 0.0000 0.2229 ( 8665 PWs) bands (ev): -68.3400 -68.3400 -68.3215 -68.3215 -38.1249 -38.1249 -38.0736 -38.0736 -36.9703 -36.9703 -36.8821 -36.8821 -36.8613 -36.8613 -36.8490 -36.8490 -17.7991 -17.7991 -4.3778 -4.3778 -2.5095 -2.5095 -2.2970 -2.2970 -0.7701 -0.7701 0.5696 0.5696 5.5827 5.5827 7.0080 7.0080 7.1211 7.1211 7.2566 7.2566 7.5755 7.5755 7.9008 7.9008 8.3737 8.3737 9.5217 9.5217 9.8033 9.8033 10.3109 10.3109 10.4427 10.4427 10.5000 10.5000 10.8522 10.8522 11.3022 11.3022 11.8580 11.8580 12.1906 12.1906 k = 0.0000 0.0000 0.2452 ( 8673 PWs) bands (ev): -68.3403 -68.3403 -68.3221 -68.3221 -38.1245 -38.1245 -38.0740 -38.0740 -36.9697 -36.9697 -36.8830 -36.8830 -36.8612 -36.8612 -36.8490 -36.8490 -17.7975 -17.7975 -4.3819 -4.3819 -2.5109 -2.5109 -2.3125 -2.3125 -0.7408 -0.7408 0.5623 0.5623 5.6126 5.6126 6.9695 6.9695 7.1308 7.1308 7.2616 7.2616 7.5218 7.5218 7.9068 7.9068 8.3864 8.3864 9.5297 9.5297 9.8023 9.8023 10.2676 10.2676 10.4262 10.4262 10.4834 10.4834 10.8602 10.8602 11.2996 11.2996 11.7933 11.7933 12.1988 12.1988 k = 0.0000 0.0000 0.2675 ( 8677 PWs) bands (ev): -68.3401 -68.3401 -68.3227 -68.3227 -38.1240 -38.1240 -38.0745 -38.0745 -36.9689 -36.9689 -36.8839 -36.8839 -36.8611 -36.8611 -36.8491 -36.8491 -17.7958 -17.7958 -4.3864 -4.3864 -2.5125 -2.5125 -2.3284 -2.3284 -0.7099 -0.7099 0.5545 0.5545 5.6441 5.6441 6.9294 6.9294 7.1406 7.1406 7.2671 7.2671 7.4651 7.4651 7.9132 7.9132 8.4013 8.4013 9.5374 9.5374 9.8013 9.8013 10.2270 10.2270 10.4088 10.4088 10.4656 10.4656 10.8683 10.8683 11.3010 11.3010 11.7305 11.7305 12.2038 12.2038 k = 0.0000 0.0000 0.2898 ( 8673 PWs) bands (ev): -68.3404 -68.3404 -68.3220 -68.3220 -38.1235 -38.1235 -38.0750 -38.0750 -36.9681 -36.9681 -36.8850 -36.8850 -36.8609 -36.8609 -36.8491 -36.8491 -17.7939 -17.7939 -4.3911 -4.3911 -2.5143 -2.5143 -2.3445 -2.3445 -0.6775 -0.6775 0.5464 0.5464 5.6767 5.6767 6.8884 6.8884 7.1521 7.1521 7.2755 7.2755 7.4060 7.4060 7.9191 7.9191 8.4169 8.4169 9.5447 9.5447 9.8025 9.8025 10.1832 10.1832 10.3891 10.3891 10.4458 10.4458 10.8766 10.8766 11.3113 11.3113 11.6705 11.6705 12.2059 12.2059 k = 0.0000 0.0000 0.3121 ( 8673 PWs) bands (ev): -68.3402 -68.3402 -68.3221 -68.3221 -38.1230 -38.1230 -38.0756 -38.0756 -36.9673 -36.9673 -36.8861 -36.8861 -36.8608 -36.8608 -36.8491 -36.8491 -17.7920 -17.7920 -4.3962 -4.3962 -2.5164 -2.5164 -2.3605 -2.3605 -0.6440 -0.6440 0.5380 0.5380 5.7098 5.7098 6.8474 6.8474 7.1648 7.1648 7.2825 7.2825 7.3445 7.3445 7.9250 7.9250 8.4332 8.4332 9.5512 9.5512 9.8008 9.8008 10.1410 10.1410 10.3698 10.3698 10.4255 10.4255 10.8847 10.8847 11.3145 11.3145 11.6137 11.6137 12.2053 12.2053 k = 0.0000 0.0000 0.3344 ( 8681 PWs) bands (ev): -68.3409 -68.3409 -68.3223 -68.3223 -38.1225 -38.1225 -38.0762 -38.0762 -36.9664 -36.9664 -36.8873 -36.8873 -36.8606 -36.8606 -36.8491 -36.8491 -17.7899 -17.7899 -4.4016 -4.4016 -2.5188 -2.5188 -2.3764 -2.3764 -0.6094 -0.6094 0.5295 0.5295 5.7425 5.7425 6.8079 6.8079 7.1789 7.1789 7.2800 7.2800 7.2915 7.2915 7.9297 7.9297 8.4489 8.4489 9.5552 9.5552 9.7959 9.7959 10.0928 10.0928 10.3479 10.3479 10.4019 10.4019 10.8922 10.8922 11.3149 11.3149 11.5619 11.5619 12.2010 12.2010 k = 0.0000 0.0000 0.3567 ( 8669 PWs) bands (ev): -68.3406 -68.3406 -68.3212 -68.3212 -38.1219 -38.1219 -38.0768 -38.0768 -36.9654 -36.9654 -36.8885 -36.8885 -36.8604 -36.8604 -36.8491 -36.8491 -17.7877 -17.7877 -4.4073 -4.4073 -2.5217 -2.5217 -2.3916 -2.3916 -0.5740 -0.5740 0.5210 0.5210 5.7746 5.7746 6.7698 6.7698 7.1941 7.1941 7.2163 7.2163 7.2997 7.2997 7.9348 7.9348 8.4663 8.4663 9.5594 9.5594 9.7946 9.7946 10.0500 10.0500 10.3279 10.3279 10.3816 10.3816 10.8997 10.8997 11.3274 11.3274 11.5142 11.5142 12.1946 12.1946 k = 0.0000 0.0000 0.3790 ( 8673 PWs) bands (ev): -68.3404 -68.3404 -68.3219 -68.3219 -38.1213 -38.1213 -38.0774 -38.0774 -36.9644 -36.9644 -36.8898 -36.8898 -36.8602 -36.8602 -36.8490 -36.8490 -17.7854 -17.7854 -4.4133 -4.4133 -2.5253 -2.5253 -2.4060 -2.4060 -0.5379 -0.5379 0.5123 0.5123 5.8049 5.8049 6.7341 6.7341 7.1496 7.1496 7.2077 7.2077 7.3082 7.3082 7.9389 7.9389 8.4859 8.4859 9.5614 9.5614 9.7872 9.7872 10.0090 10.0090 10.3044 10.3044 10.3574 10.3574 10.9054 10.9054 11.3302 11.3302 11.4706 11.4706 12.1814 12.1814 k = 0.0000 0.0000 0.4013 ( 8667 PWs) bands (ev): -68.3399 -68.3399 -68.3216 -68.3216 -38.1206 -38.1206 -38.0781 -38.0781 -36.9634 -36.9634 -36.8912 -36.8912 -36.8600 -36.8600 -36.8490 -36.8490 -17.7831 -17.7831 -4.4194 -4.4194 -2.5299 -2.5299 -2.4191 -2.4191 -0.5014 -0.5014 0.5038 0.5038 5.8322 5.8322 6.7022 6.7022 7.0825 7.0825 7.2230 7.2230 7.3174 7.3174 7.9422 7.9422 8.5047 8.5047 9.5621 9.5621 9.7823 9.7823 9.9663 9.9663 10.2845 10.2845 10.3369 10.3369 10.9108 10.9108 11.3349 11.3349 11.4329 11.4329 12.1661 12.1661 k = 0.0000 0.0000 0.4236 ( 8659 PWs) bands (ev): -68.3397 -68.3397 -68.3210 -68.3210 -38.1200 -38.1200 -38.0788 -38.0788 -36.9624 -36.9624 -36.8927 -36.8927 -36.8597 -36.8597 -36.8489 -36.8489 -17.7806 -17.7806 -4.4258 -4.4258 -2.5358 -2.5358 -2.4307 -2.4307 -0.4645 -0.4645 0.4955 0.4955 5.8554 5.8554 6.6761 6.6761 7.0147 7.0147 7.2400 7.2400 7.3279 7.3279 7.9453 7.9453 8.5220 8.5220 9.5603 9.5603 9.7745 9.7745 9.9247 9.9247 10.2636 10.2636 10.3156 10.3156 10.9154 10.9154 11.3357 11.3357 11.4039 11.4039 12.1491 12.1491 k = 0.0000 0.0000 0.4458 ( 8659 PWs) bands (ev): -68.3394 -68.3394 -68.3212 -68.3212 -38.1193 -38.1193 -38.0795 -38.0795 -36.9614 -36.9614 -36.8942 -36.8942 -36.8594 -36.8594 -36.8488 -36.8488 -17.7781 -17.7781 -4.4324 -4.4324 -2.5432 -2.5432 -2.4403 -2.4403 -0.4275 -0.4275 0.4873 0.4873 5.8733 5.8733 6.6558 6.6558 6.9465 6.9465 7.2559 7.2559 7.3381 7.3381 7.9472 7.9472 8.5402 8.5402 9.5559 9.5559 9.7624 9.7624 9.8838 9.8838 10.2414 10.2414 10.2934 10.2934 10.9175 10.9175 11.3317 11.3317 11.3837 11.3837 12.1262 12.1262 k = 0.0000 0.0000 0.4681 ( 8643 PWs) bands (ev): -68.3378 -68.3378 -68.3210 -68.3210 -38.1186 -38.1186 -38.0802 -38.0802 -36.9603 -36.9603 -36.8957 -36.8957 -36.8591 -36.8591 -36.8486 -36.8486 -17.7755 -17.7755 -4.4391 -4.4391 -2.5523 -2.5523 -2.4478 -2.4478 -0.3905 -0.3905 0.4795 0.4795 5.8849 5.8849 6.6435 6.6435 6.8780 6.8780 7.2713 7.2713 7.3507 7.3507 7.9485 7.9485 8.5593 8.5593 9.5499 9.5499 9.7485 9.7485 9.8487 9.8487 10.2261 10.2261 10.2770 10.2770 10.9216 10.9216 11.3237 11.3237 11.3763 11.3763 12.0986 12.0986 k = 0.0000 0.0000 0.4904 ( 8655 PWs) bands (ev): -68.3379 -68.3379 -68.3221 -68.3221 -38.1180 -38.1180 -38.0810 -38.0810 -36.9593 -36.9593 -36.8973 -36.8973 -36.8588 -36.8588 -36.8485 -36.8485 -17.7729 -17.7729 -4.4460 -4.4460 -2.5628 -2.5628 -2.4533 -2.4533 -0.3537 -0.3537 0.4719 0.4719 5.8888 5.8888 6.6388 6.6388 6.8094 6.8094 7.2864 7.2864 7.3604 7.3604 7.9483 7.9483 8.5770 8.5770 9.5378 9.5378 9.7298 9.7298 9.8078 9.8078 10.2036 10.2036 10.2558 10.2558 10.9189 10.9189 11.3114 11.3114 11.3713 11.3713 12.0657 12.0657 k = 0.0000 0.0000 0.5127 ( 8643 PWs) bands (ev): -68.3367 -68.3367 -68.3219 -68.3219 -38.1173 -38.1173 -38.0818 -38.0818 -36.9582 -36.9582 -36.8989 -36.8989 -36.8585 -36.8585 -36.8483 -36.8483 -17.7702 -17.7702 -4.4529 -4.4529 -2.5745 -2.5745 -2.4570 -2.4570 -0.3172 -0.3172 0.4649 0.4649 5.8857 5.8857 6.6432 6.6432 6.7413 6.7413 7.3020 7.3020 7.3729 7.3729 7.9481 7.9481 8.5966 8.5966 9.5256 9.5256 9.7101 9.7101 9.7702 9.7702 10.1885 10.1885 10.2411 10.2411 10.9186 10.9186 11.3049 11.3049 11.3742 11.3742 12.0299 12.0299 k = 0.0000 0.0000 0.5350 ( 8649 PWs) bands (ev): -68.3367 -68.3367 -68.3226 -68.3226 -38.1166 -38.1166 -38.0826 -38.0826 -36.9571 -36.9571 -36.9006 -36.9006 -36.8581 -36.8581 -36.8482 -36.8482 -17.7674 -17.7674 -4.4600 -4.4600 -2.5871 -2.5871 -2.4592 -2.4592 -0.2812 -0.2812 0.4583 0.4583 5.8758 5.8758 6.6552 6.6552 6.6740 6.6740 7.3163 7.3163 7.3836 7.3836 7.9468 7.9468 8.6137 8.6137 9.5089 9.5089 9.6843 9.6843 9.7307 9.7307 10.1690 10.1690 10.2251 10.2251 10.9129 10.9129 11.3023 11.3023 11.3773 11.3773 11.9875 11.9875 k = 0.0000 0.0000 0.5573 ( 8655 PWs) bands (ev): -68.3366 -68.3366 -68.3233 -68.3233 -38.1159 -38.1159 -38.0834 -38.0834 -36.9560 -36.9560 -36.9023 -36.9023 -36.8577 -36.8577 -36.8480 -36.8480 -17.7647 -17.7647 -4.4670 -4.4670 -2.6003 -2.6003 -2.4603 -2.4603 -0.2458 -0.2458 0.4523 0.4523 5.8602 5.8602 6.6066 6.6066 6.6741 6.6741 7.3302 7.3302 7.3950 7.3950 7.9459 7.9459 8.6288 8.6288 9.4899 9.4899 9.6569 9.6569 9.6927 9.6927 10.1507 10.1507 10.2099 10.2099 10.9058 10.9058 11.3041 11.3041 11.3789 11.3789 11.9412 11.9412 k = 0.0000 0.0000 0.5796 ( 8667 PWs) bands (ev): -68.3368 -68.3368 -68.3244 -68.3244 -38.1152 -38.1152 -38.0843 -38.0843 -36.9550 -36.9550 -36.9040 -36.9040 -36.8573 -36.8573 -36.8479 -36.8479 -17.7619 -17.7619 -4.4741 -4.4741 -2.6137 -2.6137 -2.4604 -2.4604 -0.2112 -0.2112 0.4468 0.4468 5.8402 5.8402 6.5404 6.5404 6.6979 6.6979 7.3430 7.3430 7.4065 7.4065 7.9453 7.9453 8.6443 8.6443 9.4678 9.4678 9.6220 9.6220 9.6547 9.6547 10.1301 10.1301 10.1979 10.1979 10.8962 10.8962 11.3098 11.3098 11.3800 11.3800 11.8893 11.8893 k = 0.0000 0.0000 0.6019 ( 8663 PWs) bands (ev): -68.3369 -68.3369 -68.3237 -68.3237 -38.1144 -38.1144 -38.0851 -38.0851 -36.9539 -36.9539 -36.9058 -36.9058 -36.8569 -36.8569 -36.8477 -36.8477 -17.7591 -17.7591 -4.4812 -4.4812 -2.6272 -2.6272 -2.4598 -2.4598 -0.1775 -0.1775 0.4421 0.4421 5.8173 5.8173 6.4751 6.4751 6.7257 6.7257 7.3556 7.3556 7.4194 7.4194 7.9474 7.9474 8.6592 8.6592 9.4442 9.4442 9.5917 9.5917 9.6184 9.6184 10.1112 10.1112 10.1902 10.1902 10.8876 10.8876 11.3194 11.3194 11.3839 11.3839 11.8356 11.8356 k = 0.0000 0.0000 0.6242 ( 8667 PWs) bands (ev): -68.3371 -68.3371 -68.3240 -68.3240 -38.1137 -38.1137 -38.0860 -38.0860 -36.9529 -36.9529 -36.9075 -36.9075 -36.8564 -36.8564 -36.8475 -36.8475 -17.7563 -17.7563 -4.4882 -4.4882 -2.6407 -2.6407 -2.4586 -2.4586 -0.1448 -0.1448 0.4380 0.4380 5.7925 5.7925 6.4109 6.4109 6.7560 6.7560 7.3657 7.3657 7.4313 7.4313 7.9496 7.9496 8.6694 8.6694 9.4195 9.4195 9.5572 9.5572 9.5819 9.5819 10.0962 10.0962 10.1844 10.1844 10.8770 10.8770 11.3316 11.3316 11.3880 11.3880 11.7741 11.7741 k = 0.0000 0.0000 0.6465 ( 8671 PWs) bands (ev): -68.3368 -68.3368 -68.3247 -68.3247 -38.1130 -38.1130 -38.0868 -38.0868 -36.9519 -36.9519 -36.9093 -36.9093 -36.8559 -36.8559 -36.8473 -36.8473 -17.7535 -17.7535 -4.4952 -4.4952 -2.6539 -2.6539 -2.4570 -2.4570 -0.1133 -0.1133 0.4345 0.4345 5.7671 5.7671 6.3478 6.3478 6.7877 6.7877 7.3733 7.3733 7.4424 7.4424 7.9516 7.9516 8.6826 8.6826 9.3943 9.3943 9.5215 9.5215 9.5464 9.5464 10.0812 10.0812 10.1814 10.1814 10.8644 10.8644 11.3456 11.3456 11.3933 11.3933 11.7045 11.7045 k = 0.0000 0.0000 0.6688 ( 8683 PWs) bands (ev): -68.3365 -68.3365 -68.3263 -68.3263 -38.1123 -38.1123 -38.0876 -38.0876 -36.9510 -36.9510 -36.9110 -36.9110 -36.8554 -36.8554 -36.8471 -36.8471 -17.7507 -17.7507 -4.5021 -4.5021 -2.6668 -2.6668 -2.4550 -2.4550 -0.0830 -0.0830 0.4317 0.4317 5.7419 5.7419 6.2856 6.2856 6.8199 6.8199 7.3784 7.3784 7.4519 7.4519 7.9556 7.9556 8.6941 8.6941 9.3694 9.3694 9.4849 9.4849 9.5107 9.5107 10.0667 10.0667 10.1790 10.1790 10.8472 10.8472 11.3544 11.3544 11.3986 11.3986 11.6302 11.6302 k = 0.0000 0.0000 0.6911 ( 8691 PWs) bands (ev): -68.3362 -68.3362 -68.3275 -68.3275 -38.1116 -38.1116 -38.0885 -38.0885 -36.9500 -36.9500 -36.9127 -36.9127 -36.8549 -36.8549 -36.8469 -36.8469 -17.7479 -17.7479 -4.5089 -4.5089 -2.6793 -2.6793 -2.4528 -2.4528 -0.0541 -0.0541 0.4297 0.4297 5.7177 5.7177 6.2255 6.2255 6.8513 6.8513 7.3809 7.3809 7.4618 7.4618 7.9631 7.9631 8.7050 8.7050 9.3432 9.3432 9.4444 9.4444 9.4771 9.4771 10.0524 10.0524 10.1789 10.1789 10.8294 10.8294 11.3610 11.3610 11.4127 11.4127 11.5530 11.5530 k = 0.0000 0.0000 0.7134 ( 8679 PWs) bands (ev): -68.3350 -68.3350 -68.3273 -68.3273 -38.1109 -38.1109 -38.0893 -38.0893 -36.9491 -36.9491 -36.9144 -36.9144 -36.8543 -36.8543 -36.8466 -36.8466 -17.7451 -17.7451 -4.5155 -4.5155 -2.6914 -2.6914 -2.4503 -2.4503 -0.0266 -0.0266 0.4285 0.4285 5.6953 5.6953 6.1671 6.1671 6.8815 6.8815 7.3805 7.3805 7.4739 7.4739 7.9725 7.9725 8.7179 8.7179 9.3181 9.3181 9.4065 9.4065 9.4467 9.4467 10.0448 10.0448 10.1847 10.1847 10.8176 10.8176 11.3672 11.3672 11.4306 11.4306 11.4722 11.4722 k = 0.0000 0.0000 0.7356 ( 8667 PWs) bands (ev): -68.3343 -68.3343 -68.3267 -68.3267 -38.1102 -38.1102 -38.0901 -38.0901 -36.9482 -36.9482 -36.9161 -36.9161 -36.8537 -36.8537 -36.8464 -36.8464 -17.7424 -17.7424 -4.5220 -4.5220 -2.7030 -2.7030 -2.4477 -2.4477 -0.0007 -0.0007 0.4280 0.4280 5.6752 5.6752 6.1106 6.1106 6.9102 6.9102 7.3767 7.3767 7.4841 7.4841 7.9904 7.9904 8.7280 8.7280 9.2927 9.2927 9.3701 9.3701 9.4172 9.4172 10.0318 10.0318 10.1905 10.1905 10.7986 10.7986 11.3605 11.3605 11.4068 11.4068 11.4519 11.4519 k = 0.0000 0.0000 0.7579 ( 8655 PWs) bands (ev): -68.3327 -68.3327 -68.3269 -68.3269 -38.1096 -38.1096 -38.0909 -38.0909 -36.9473 -36.9473 -36.9177 -36.9177 -36.8531 -36.8531 -36.8462 -36.8462 -17.7398 -17.7398 -4.5283 -4.5283 -2.7141 -2.7141 -2.4450 -2.4450 0.0236 0.0236 0.4282 0.4282 5.6573 5.6573 6.0555 6.0555 6.9362 6.9362 7.3691 7.3691 7.4942 7.4942 8.0090 8.0090 8.7363 8.7363 9.2683 9.2683 9.3364 9.3364 9.3884 9.3884 10.0245 10.0245 10.2009 10.2009 10.7783 10.7783 11.2960 11.2960 11.3891 11.3891 11.4736 11.4736 k = 0.0000 0.0000 0.7802 ( 8663 PWs) bands (ev): -68.3329 -68.3329 -68.3277 -68.3277 -38.1089 -38.1089 -38.0918 -38.0918 -36.9465 -36.9465 -36.9194 -36.9194 -36.8525 -36.8525 -36.8460 -36.8460 -17.7371 -17.7371 -4.5344 -4.5344 -2.7246 -2.7246 -2.4422 -2.4422 0.0462 0.0462 0.4290 0.4290 5.6422 5.6422 6.0023 6.0023 6.9594 6.9594 7.3581 7.3581 7.5042 7.5042 8.0283 8.0283 8.7410 8.7410 9.2439 9.2439 9.2987 9.2987 9.3585 9.3585 10.0136 10.0136 10.2025 10.2025 10.7560 10.7560 11.2087 11.2087 11.3880 11.3880 11.4912 11.4912 k = 0.0000 0.0000 0.8025 ( 8666 PWs) bands (ev): -68.3325 -68.3325 -68.3284 -68.3284 -38.1083 -38.1083 -38.0926 -38.0926 -36.9457 -36.9457 -36.9209 -36.9209 -36.8519 -36.8519 -36.8458 -36.8458 -17.7346 -17.7346 -4.5403 -4.5403 -2.7347 -2.7347 -2.4393 -2.4393 0.0672 0.0672 0.4306 0.4306 5.6301 5.6301 5.9511 5.9511 6.9794 6.9794 7.3442 7.3442 7.5136 7.5136 8.0523 8.0523 8.7453 8.7453 9.2204 9.2204 9.2636 9.2636 9.3320 9.3320 10.0040 10.0040 10.2067 10.2067 10.7305 10.7305 11.1203 11.1203 11.3871 11.3871 11.5067 11.5067 k = 0.0000 0.0000 0.8248 ( 8670 PWs) bands (ev): -68.3323 -68.3323 -68.3291 -68.3291 -38.1077 -38.1077 -38.0933 -38.0933 -36.9449 -36.9449 -36.9225 -36.9225 -36.8513 -36.8513 -36.8456 -36.8456 -17.7321 -17.7321 -4.5459 -4.5459 -2.7442 -2.7442 -2.4365 -2.4365 0.0864 0.0864 0.4327 0.4327 5.6211 5.6211 5.9019 5.9019 6.9961 6.9961 7.3278 7.3278 7.5235 7.5235 8.0785 8.0785 8.7480 8.7480 9.1976 9.1976 9.2266 9.2266 9.3049 9.3049 9.9979 9.9979 10.2111 10.2111 10.7065 10.7065 11.0299 11.0299 11.3876 11.3876 11.5196 11.5196 k = 0.0000 0.0000 0.8471 ( 8672 PWs) bands (ev): -68.3327 -68.3327 -68.3289 -68.3289 -38.1071 -38.1071 -38.0941 -38.0941 -36.9442 -36.9442 -36.9240 -36.9240 -36.8507 -36.8507 -36.8454 -36.8454 -17.7297 -17.7297 -4.5514 -4.5514 -2.7531 -2.7531 -2.4336 -2.4336 0.1039 0.1039 0.4354 0.4354 5.6151 5.6151 5.8548 5.8548 7.0092 7.0092 7.3091 7.3091 7.5330 7.5330 8.1091 8.1091 8.7486 8.7486 9.1758 9.1758 9.1976 9.1976 9.2780 9.2780 9.9907 9.9907 10.2140 10.2140 10.6803 10.6803 10.9420 10.9420 11.3876 11.3876 11.5277 11.5277 k = 0.0000 0.0000 0.8694 ( 8676 PWs) bands (ev): -68.3329 -68.3329 -68.3291 -68.3291 -38.1065 -38.1065 -38.0948 -38.0948 -36.9435 -36.9435 -36.9255 -36.9255 -36.8501 -36.8501 -36.8452 -36.8452 -17.7274 -17.7274 -4.5566 -4.5566 -2.7614 -2.7614 -2.4308 -2.4308 0.1197 0.1197 0.4385 0.4385 5.6125 5.6125 5.8099 5.8099 7.0185 7.0185 7.2889 7.2889 7.5425 7.5425 8.1406 8.1406 8.7484 8.7484 9.1508 9.1508 9.1681 9.1681 9.2527 9.2527 9.9878 9.9878 10.2186 10.2186 10.6547 10.6547 10.8528 10.8528 11.3883 11.3883 11.5324 11.5324 k = 0.0000 0.0000 0.8917 ( 8668 PWs) bands (ev): -68.3326 -68.3326 -68.3284 -68.3284 -38.1060 -38.1060 -38.0955 -38.0955 -36.9429 -36.9429 -36.9269 -36.9269 -36.8494 -36.8494 -36.8450 -36.8450 -17.7252 -17.7252 -4.5615 -4.5615 -2.7692 -2.7692 -2.4281 -2.4281 0.1339 0.1339 0.4421 0.4421 5.6131 5.6131 5.7675 5.7675 7.0250 7.0250 7.2675 7.2675 7.5519 7.5519 8.1747 8.1747 8.7476 8.7476 9.1276 9.1276 9.1468 9.1468 9.2272 9.2272 9.9871 9.9871 10.2268 10.2268 10.6297 10.6297 10.7658 10.7658 11.3895 11.3895 11.5381 11.5381 k = 0.0000 0.0000 0.9140 ( 8676 PWs) bands (ev): -68.3324 -68.3324 -68.3295 -68.3295 -38.1055 -38.1055 -38.0962 -38.0962 -36.9423 -36.9423 -36.9282 -36.9282 -36.8489 -36.8489 -36.8448 -36.8448 -17.7231 -17.7231 -4.5661 -4.5661 -2.7764 -2.7764 -2.4255 -2.4255 0.1465 0.1465 0.4460 0.4460 5.6174 5.6174 5.7271 5.7271 7.0278 7.0278 7.2453 7.2453 7.5603 7.5603 8.2085 8.2085 8.7467 8.7467 9.0964 9.0964 9.1266 9.1266 9.2029 9.2029 9.9860 9.9860 10.2292 10.2292 10.5994 10.5994 10.6776 10.6776 11.3874 11.3874 11.5449 11.5449 k = 0.0000 0.0000 0.9363 ( 8682 PWs) bands (ev): -68.3324 -68.3324 -68.3302 -68.3302 -38.1050 -38.1050 -38.0969 -38.0969 -36.9418 -36.9418 -36.9294 -36.9294 -36.8483 -36.8483 -36.8446 -36.8446 -17.7211 -17.7211 -4.5705 -4.5705 -2.7831 -2.7831 -2.4229 -2.4229 0.1576 0.1576 0.4503 0.4503 5.6240 5.6240 5.6892 5.6892 7.0268 7.0268 7.2229 7.2229 7.5688 7.5688 8.2430 8.2430 8.7413 8.7413 9.0675 9.0675 9.1089 9.1089 9.1836 9.1836 9.9878 9.9878 10.2337 10.2337 10.5688 10.5688 10.5926 10.5926 11.3876 11.3876 11.5437 11.5437 k = 0.0000 0.0000 0.9586 ( 8686 PWs) bands (ev): -68.3322 -68.3322 -68.3308 -68.3308 -38.1045 -38.1045 -38.0975 -38.0975 -36.9413 -36.9413 -36.9306 -36.9306 -36.8477 -36.8477 -36.8445 -36.8445 -17.7192 -17.7192 -4.5746 -4.5746 -2.7893 -2.7893 -2.4205 -2.4205 0.1672 0.1672 0.4548 0.4548 5.6332 5.6332 5.6538 5.6538 7.0227 7.0227 7.2004 7.2004 7.5766 7.5766 8.2801 8.2801 8.7365 8.7365 9.0386 9.0386 9.0944 9.0944 9.1642 9.1642 9.9903 9.9903 10.2384 10.2384 10.5026 10.5026 10.5461 10.5461 11.3869 11.3869 11.5419 11.5419 k = 0.0000 0.0000 0.9809 ( 8690 PWs) bands (ev): -68.3329 -68.3329 -68.3306 -68.3306 -38.1041 -38.1041 -38.0981 -38.0981 -36.9408 -36.9408 -36.9318 -36.9318 -36.8472 -36.8472 -36.8443 -36.8443 -17.7174 -17.7174 -4.5784 -4.5784 -2.7949 -2.7949 -2.4182 -2.4182 0.1755 0.1755 0.4593 0.4593 5.6200 5.6200 5.6455 5.6455 7.0155 7.0155 7.1782 7.1782 7.5839 7.5839 8.3178 8.3178 8.7295 8.7295 9.0139 9.0139 9.0805 9.0805 9.1442 9.1442 9.9938 9.9938 10.2427 10.2427 10.4228 10.4228 10.5195 10.5195 11.3893 11.3893 11.5360 11.5360 k = 0.0000 0.0000 1.0032 ( 8690 PWs) bands (ev): -68.3327 -68.3327 -68.3307 -68.3307 -38.1037 -38.1037 -38.0986 -38.0986 -36.9404 -36.9404 -36.9328 -36.9328 -36.8467 -36.8467 -36.8442 -36.8442 -17.7157 -17.7157 -4.5819 -4.5819 -2.7999 -2.7999 -2.4160 -2.4160 0.1825 0.1825 0.4639 0.4639 5.5896 5.5896 5.6593 5.6593 7.0059 7.0059 7.1567 7.1567 7.5908 7.5908 8.3555 8.3555 8.7227 8.7227 8.9931 8.9931 9.0697 9.0697 9.1277 9.1277 9.9998 9.9998 10.2471 10.2471 10.3442 10.3442 10.4899 10.4899 11.3900 11.3900 11.5317 11.5317 k = 0.0000 0.0000 1.0254 ( 8684 PWs) bands (ev): -68.3318 -68.3318 -68.3309 -68.3309 -38.1033 -38.1033 -38.0991 -38.0991 -36.9400 -36.9400 -36.9337 -36.9337 -36.8462 -36.8462 -36.8440 -36.8440 -17.7142 -17.7142 -4.5851 -4.5851 -2.8045 -2.8045 -2.4140 -2.4140 0.1884 0.1884 0.4685 0.4685 5.5615 5.5615 5.6755 5.6755 6.9943 6.9943 7.1363 7.1363 7.5977 7.5977 8.3940 8.3940 8.7153 8.7153 8.9697 8.9697 9.0609 9.0609 9.1125 9.1125 10.0109 10.0109 10.2520 10.2520 10.2713 10.2713 10.4633 10.4633 11.3900 11.3900 11.5321 11.5321 k = 0.0000 0.0000 1.0477 ( 8686 PWs) bands (ev): -68.3315 -68.3315 -68.3314 -68.3314 -38.1030 -38.1030 -38.0996 -38.0996 -36.9397 -36.9397 -36.9346 -36.9346 -36.8457 -36.8457 -36.8439 -36.8439 -17.7128 -17.7128 -4.5881 -4.5881 -2.8086 -2.8086 -2.4121 -2.4121 0.1933 0.1933 0.4729 0.4729 5.5357 5.5357 5.6929 5.6929 6.9808 6.9808 7.1168 7.1168 7.6037 7.6037 8.4305 8.4305 8.7069 8.7069 8.9502 8.9502 9.0533 9.0533 9.0990 9.0990 10.0205 10.0205 10.1975 10.1975 10.2559 10.2559 10.4360 10.4360 11.3873 11.3873 11.5305 11.5305 k = 0.0000 0.0000 1.0700 ( 8678 PWs) bands (ev): -68.3311 -68.3311 -68.3308 -68.3308 -38.1027 -38.1027 -38.1000 -38.1000 -36.9394 -36.9394 -36.9354 -36.9354 -36.8453 -36.8453 -36.8438 -36.8438 -17.7115 -17.7115 -4.5907 -4.5907 -2.8122 -2.8122 -2.4105 -2.4105 0.1973 0.1973 0.4771 0.4771 5.5129 5.5129 5.7110 5.7110 6.9661 6.9661 7.0989 7.0989 7.6095 7.6095 8.4671 8.4671 8.6979 8.6979 8.9347 8.9347 9.0474 9.0474 9.0874 9.0874 10.0342 10.0342 10.1314 10.1314 10.2597 10.2597 10.4122 10.4122 11.3883 11.3883 11.5287 11.5287 k = 0.0000 0.0000 1.0923 ( 8696 PWs) bands (ev): -68.3321 -68.3321 -68.3318 -68.3318 -38.1024 -38.1024 -38.1004 -38.1004 -36.9391 -36.9391 -36.9361 -36.9361 -36.8449 -36.8449 -36.8437 -36.8437 -17.7104 -17.7104 -4.5930 -4.5930 -2.8154 -2.8154 -2.4090 -2.4090 0.2005 0.2005 0.4810 0.4810 5.4926 5.4926 5.7277 5.7277 6.9504 6.9504 7.0826 7.0826 7.6137 7.6137 8.5017 8.5017 8.6871 8.6871 8.9186 8.9186 9.0425 9.0425 9.0755 9.0755 10.0386 10.0386 10.0712 10.0712 10.2624 10.2624 10.3798 10.3798 11.3858 11.3858 11.5132 11.5132 k = 0.0000 0.0000 1.1146 ( 8698 PWs) bands (ev): -68.3328 -68.3328 -68.3313 -68.3313 -38.1022 -38.1022 -38.1007 -38.1007 -36.9389 -36.9389 -36.9368 -36.9368 -36.8446 -36.8446 -36.8436 -36.8436 -17.7094 -17.7094 -4.5950 -4.5950 -2.8181 -2.8181 -2.4076 -2.4076 0.2031 0.2031 0.4845 0.4845 5.4756 5.4756 5.7449 5.7449 6.9352 6.9352 7.0685 7.0685 7.6168 7.6168 8.5352 8.5352 8.6793 8.6793 8.9051 8.9051 9.0382 9.0382 9.0639 9.0639 10.0116 10.0116 10.0541 10.0541 10.2636 10.2636 10.3528 10.3528 11.3911 11.3911 11.5069 11.5069 k = 0.0000 0.0000 1.1369 ( 8694 PWs) bands (ev): -68.3322 -68.3322 -68.3314 -68.3314 -38.1020 -38.1020 -38.1010 -38.1010 -36.9387 -36.9387 -36.9373 -36.9373 -36.8443 -36.8443 -36.8435 -36.8435 -17.7085 -17.7085 -4.5967 -4.5967 -2.8203 -2.8203 -2.4065 -2.4065 0.2051 0.2051 0.4876 0.4876 5.4606 5.4606 5.7614 5.7614 6.9206 6.9206 7.0561 7.0561 7.6205 7.6205 8.5649 8.5649 8.6713 8.6713 8.8935 8.8935 9.0357 9.0357 9.0588 9.0588 9.9637 9.9637 10.0671 10.0671 10.2683 10.2683 10.3289 10.3289 11.3910 11.3910 11.5038 11.5038 k = 0.0000 0.0000 1.1592 ( 8702 PWs) bands (ev): -68.3330 -68.3330 -68.3315 -68.3315 -38.1018 -38.1018 -38.1012 -38.1012 -36.9385 -36.9385 -36.9378 -36.9378 -36.8441 -36.8441 -36.8435 -36.8435 -17.7079 -17.7079 -4.5981 -4.5981 -2.8222 -2.8222 -2.4056 -2.4056 0.2066 0.2066 0.4902 0.4902 5.4481 5.4481 5.7752 5.7752 6.9074 6.9074 7.0456 7.0456 7.6228 7.6228 8.5906 8.5906 8.6644 8.6644 8.8845 8.8845 9.0377 9.0377 9.0504 9.0504 9.9192 9.9192 10.0776 10.0776 10.2651 10.2651 10.3084 10.3084 11.3887 11.3887 11.4966 11.4966 k = 0.0000 0.0000 1.1815 ( 8706 PWs) bands (ev): -68.3334 -68.3334 -68.3315 -68.3315 -38.1017 -38.1017 -38.1014 -38.1014 -36.9384 -36.9384 -36.9381 -36.9381 -36.8439 -36.8439 -36.8434 -36.8434 -17.7073 -17.7073 -4.5992 -4.5992 -2.8236 -2.8236 -2.4049 -2.4049 0.2077 0.2077 0.4922 0.4922 5.4386 5.4386 5.7873 5.7873 6.8964 6.8964 7.0372 7.0372 7.6250 7.6250 8.6118 8.6118 8.6586 8.6586 8.8762 8.8762 9.0345 9.0345 9.0432 9.0432 9.8813 9.8813 10.0911 10.0911 10.2663 10.2663 10.2921 10.2921 11.3896 11.3896 11.4944 11.4944 k = 0.0000 0.0000 1.2038 ( 8700 PWs) bands (ev): -68.3341 -68.3341 -68.3302 -68.3302 -38.1016 -38.1016 -38.1015 -38.1015 -36.9384 -36.9384 -36.9383 -36.9383 -36.8437 -36.8437 -36.8434 -36.8434 -17.7069 -17.7069 -4.5999 -4.5999 -2.8246 -2.8246 -2.4043 -2.4043 0.2085 0.2085 0.4936 0.4936 5.4319 5.4319 5.7962 5.7962 6.8883 6.8883 7.0314 7.0314 7.6265 7.6265 8.6278 8.6278 8.6582 8.6582 8.8750 8.8750 9.0310 9.0310 9.0357 9.0357 9.8579 9.8579 10.1024 10.1024 10.2671 10.2671 10.2806 10.2806 11.3904 11.3904 11.4937 11.4937 k = 0.0000 0.0000 1.2261 ( 8692 PWs) bands (ev): -68.3340 -68.3340 -68.3293 -68.3293 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9382 -36.9382 -36.8436 -36.8436 -36.8434 -36.8434 -17.7067 -17.7067 -4.6004 -4.6004 -2.8252 -2.8252 -2.4040 -2.4040 0.2089 0.2089 0.4946 0.4946 5.4280 5.4280 5.8019 5.8019 6.8831 6.8831 7.0283 7.0283 7.6274 7.6274 8.6378 8.6378 8.6560 8.6560 8.8748 8.8748 9.0297 9.0297 9.0347 9.0347 9.8480 9.8480 10.1102 10.1102 10.2671 10.2671 10.2722 10.2722 11.3914 11.3914 11.4929 11.4929 k = 0.0000 0.0000 1.2484 ( 8676 PWs) bands (ev): -68.3331 -68.3331 -68.3284 -68.3284 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9381 -36.9381 -36.8435 -36.8435 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2091 0.2091 0.4949 0.4949 5.4266 5.4266 5.8049 5.8049 6.8814 6.8814 7.0275 7.0275 7.6283 7.6283 8.6411 8.6411 8.6563 8.6563 8.8746 8.8746 9.0297 9.0297 9.0348 9.0348 9.8479 9.8479 10.1169 10.1169 10.2703 10.2703 10.2703 10.2703 11.3915 11.3915 11.5018 11.5018 k = 0.0000 0.0000 1.2484 ( 8676 PWs) bands (ev): -68.3331 -68.3331 -68.3284 -68.3284 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9381 -36.9381 -36.8435 -36.8435 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2091 0.2091 0.4949 0.4949 5.4266 5.4266 5.8049 5.8049 6.8814 6.8814 7.0275 7.0275 7.6283 7.6283 8.6411 8.6411 8.6563 8.6563 8.8746 8.8746 9.0297 9.0297 9.0348 9.0348 9.8479 9.8479 10.1169 10.1169 10.2703 10.2703 10.2703 10.2703 11.3915 11.3915 11.5018 11.5018 k =-0.0080 0.0182 1.2484 ( 8688 PWs) bands (ev): -68.3340 -68.3340 -68.3289 -68.3289 -38.1016 -38.1016 -38.1015 -38.1015 -36.9386 -36.9386 -36.9381 -36.9381 -36.8435 -36.8435 -36.8434 -36.8434 -17.7067 -17.7067 -4.6004 -4.6004 -2.8252 -2.8252 -2.4040 -2.4040 0.2096 0.2096 0.4938 0.4938 5.4283 5.4283 5.8048 5.8048 6.8817 6.8817 7.0275 7.0275 7.6265 7.6265 8.6315 8.6315 8.6562 8.6562 8.8815 8.8815 9.0301 9.0301 9.0351 9.0351 9.8459 9.8459 10.1138 10.1138 10.2676 10.2676 10.2706 10.2706 11.3918 11.3918 11.4927 11.4927 k =-0.0159 0.0364 1.2484 ( 8704 PWs) bands (ev): -68.3340 -68.3340 -68.3307 -68.3307 -38.1017 -38.1017 -38.1014 -38.1014 -36.9386 -36.9386 -36.9381 -36.9381 -36.8436 -36.8436 -36.8435 -36.8435 -17.7069 -17.7069 -4.6001 -4.6001 -2.8247 -2.8247 -2.4044 -2.4044 0.2108 0.2108 0.4907 0.4907 5.4331 5.4331 5.8079 5.8079 6.8825 6.8825 7.0275 7.0275 7.6230 7.6230 8.6058 8.6058 8.6516 8.6516 8.8991 8.8991 9.0327 9.0327 9.0371 9.0371 9.8386 9.8386 10.1160 10.1160 10.2615 10.2615 10.2717 10.2717 11.3919 11.3919 11.4926 11.4926 k =-0.0239 0.0546 1.2484 ( 8696 PWs) bands (ev): -68.3335 -68.3335 -68.3303 -68.3303 -38.1018 -38.1018 -38.1013 -38.1013 -36.9387 -36.9387 -36.9378 -36.9378 -36.8436 -36.8436 -36.8436 -36.8436 -17.7072 -17.7072 -4.5995 -4.5995 -2.8238 -2.8238 -2.4049 -2.4049 0.2132 0.2132 0.4856 0.4856 5.4418 5.4418 5.8129 5.8129 6.8844 6.8844 7.0287 7.0287 7.6173 7.6173 8.5701 8.5701 8.6527 8.6527 8.9241 8.9241 9.0374 9.0374 9.0420 9.0420 9.8440 9.8440 10.1205 10.1205 10.2607 10.2607 10.2779 10.2779 11.3968 11.3968 11.4935 11.4935 k =-0.0318 0.0729 1.2484 ( 8706 PWs) bands (ev): -68.3335 -68.3335 -68.3314 -68.3314 -38.1019 -38.1019 -38.1012 -38.1012 -36.9388 -36.9388 -36.9376 -36.9376 -36.8437 -36.8437 -36.8437 -36.8437 -17.7076 -17.7076 -4.5986 -4.5986 -2.8226 -2.8226 -2.4057 -2.4057 0.2163 0.2163 0.4785 0.4785 5.4534 5.4534 5.8201 5.8201 6.8868 6.8868 7.0298 7.0298 7.6087 7.6087 8.5274 8.5274 8.6513 8.6513 8.9447 8.9447 9.0434 9.0434 9.0511 9.0511 9.8425 9.8425 10.1220 10.1220 10.2575 10.2575 10.2826 10.2826 11.3988 11.3988 11.4946 11.4946 k =-0.0398 0.0911 1.2484 ( 8714 PWs) bands (ev): -68.3343 -68.3343 -68.3315 -68.3315 -38.1020 -38.1020 -38.1010 -38.1010 -36.9389 -36.9389 -36.9373 -36.9373 -36.8440 -36.8440 -36.8438 -36.8438 -17.7082 -17.7082 -4.5975 -4.5975 -2.8210 -2.8210 -2.4066 -2.4066 0.2204 0.2204 0.4695 0.4695 5.4686 5.4686 5.8291 5.8291 6.8900 6.8900 7.0312 7.0312 7.5985 7.5985 8.4819 8.4819 8.6532 8.6532 8.9644 8.9644 9.0481 9.0481 9.0679 9.0679 9.8420 9.8420 10.1284 10.1284 10.2559 10.2559 10.2761 10.2761 11.4054 11.4054 11.4900 11.4900 k =-0.0478 0.1093 1.2484 ( 8708 PWs) bands (ev): -68.3333 -68.3333 -68.3318 -68.3318 -38.1022 -38.1022 -38.1008 -38.1008 -36.9391 -36.9391 -36.9369 -36.9369 -36.8441 -36.8441 -36.8438 -36.8438 -17.7088 -17.7088 -4.5961 -4.5961 -2.8191 -2.8191 -2.4078 -2.4078 0.2252 0.2252 0.4587 0.4587 5.4857 5.4857 5.8402 5.8402 6.8938 6.8938 7.0334 7.0334 7.5866 7.5866 8.4344 8.4344 8.6542 8.6542 8.9775 8.9775 9.0588 9.0588 9.0943 9.0943 9.8493 9.8493 10.1388 10.1388 10.2548 10.2548 10.2832 10.2832 11.4027 11.4027 11.4908 11.4908 k =-0.0478 0.1093 1.2484 ( 8708 PWs) bands (ev): -68.3333 -68.3333 -68.3318 -68.3318 -38.1022 -38.1022 -38.1008 -38.1008 -36.9391 -36.9391 -36.9369 -36.9369 -36.8441 -36.8441 -36.8438 -36.8438 -17.7088 -17.7088 -4.5961 -4.5961 -2.8191 -2.8191 -2.4078 -2.4078 0.2252 0.2252 0.4587 0.4587 5.4857 5.4857 5.8402 5.8402 6.8938 6.8938 7.0334 7.0334 7.5866 7.5866 8.4344 8.4344 8.6542 8.6542 8.9775 8.9775 9.0588 9.0588 9.0943 9.0943 9.8493 9.8493 10.1388 10.1388 10.2548 10.2548 10.2832 10.2832 11.4027 11.4027 11.4908 11.4908 k =-0.0540 0.1236 1.2327 ( 8712 PWs) bands (ev): -68.3335 -68.3335 -68.3321 -68.3321 -38.1023 -38.1023 -38.1006 -38.1006 -36.9392 -36.9392 -36.9365 -36.9365 -36.8444 -36.8444 -36.8439 -36.8439 -17.7095 -17.7095 -4.5948 -4.5948 -2.8172 -2.8172 -2.4089 -2.4089 0.2295 0.2295 0.4488 0.4488 5.5024 5.5024 5.8493 5.8493 6.8981 6.8981 7.0359 7.0359 7.5755 7.5755 8.3949 8.3949 8.6545 8.6545 8.9824 8.9824 9.0637 9.0637 9.1172 9.1172 9.8558 9.8558 10.1446 10.1446 10.2550 10.2550 10.2861 10.2861 11.4076 11.4076 11.4903 11.4903 k =-0.0603 0.1380 1.2170 ( 8704 PWs) bands (ev): -68.3328 -68.3328 -68.3319 -68.3319 -38.1024 -38.1024 -38.1004 -38.1004 -36.9392 -36.9392 -36.9361 -36.9361 -36.8446 -36.8446 -36.8440 -36.8440 -17.7102 -17.7102 -4.5933 -4.5933 -2.8150 -2.8150 -2.4102 -2.4102 0.2341 0.2341 0.4377 0.4377 5.5222 5.5222 5.8580 5.8580 6.9046 6.9046 7.0397 7.0397 7.5637 7.5637 8.3535 8.3535 8.6584 8.6584 8.9865 8.9865 9.0722 9.0722 9.1447 9.1447 9.8678 9.8678 10.1498 10.1498 10.2613 10.2613 10.2898 10.2898 11.4122 11.4122 11.4928 11.4928 k =-0.0666 0.1524 1.2013 ( 8701 PWs) bands (ev): -68.3324 -68.3324 -68.3319 -68.3319 -38.1025 -38.1025 -38.1002 -38.1002 -36.9393 -36.9393 -36.9357 -36.9357 -36.8449 -36.8449 -36.8441 -36.8441 -17.7112 -17.7112 -4.5915 -4.5915 -2.8124 -2.8124 -2.4114 -2.4114 0.2391 0.2391 0.4254 0.4254 5.5446 5.5446 5.8657 5.8657 6.9132 6.9132 7.0446 7.0446 7.5505 7.5505 8.3110 8.3110 8.6645 8.6645 8.9887 8.9887 9.0822 9.0822 9.1737 9.1737 9.8802 9.8802 10.1491 10.1491 10.2681 10.2681 10.2959 10.2959 11.4163 11.4163 11.4954 11.4954 k =-0.0729 0.1668 1.1856 ( 8709 PWs) bands (ev): -68.3330 -68.3330 -68.3323 -68.3323 -38.1026 -38.1026 -38.1000 -38.1000 -36.9393 -36.9393 -36.9352 -36.9352 -36.8452 -36.8452 -36.8443 -36.8443 -17.7122 -17.7122 -4.5895 -4.5895 -2.8095 -2.8095 -2.4127 -2.4127 0.2442 0.2442 0.4118 0.4118 5.5696 5.5696 5.8713 5.8713 6.9237 6.9237 7.0504 7.0504 7.5362 7.5362 8.2675 8.2675 8.6711 8.6711 8.9878 8.9878 9.0897 9.0897 9.2005 9.2005 9.8933 9.8933 10.1452 10.1452 10.2803 10.2803 10.3036 10.3036 11.4208 11.4208 11.4933 11.4933 k =-0.0792 0.1811 1.1700 ( 8717 PWs) bands (ev): -68.3337 -68.3337 -68.3325 -68.3325 -38.1027 -38.1027 -38.0998 -38.0998 -36.9393 -36.9393 -36.9348 -36.9348 -36.8455 -36.8455 -36.8445 -36.8445 -17.7134 -17.7134 -4.5873 -4.5873 -2.8064 -2.8064 -2.4139 -2.4139 0.2496 0.2496 0.3973 0.3973 5.5964 5.5964 5.8766 5.8766 6.9358 6.9358 7.0574 7.0574 7.5209 7.5209 8.2244 8.2244 8.6777 8.6777 8.9875 8.9875 9.0986 9.0986 9.2301 9.2301 9.9081 9.9081 10.1373 10.1373 10.2926 10.2926 10.3142 10.3142 11.4239 11.4239 11.4952 11.4952 k =-0.0855 0.1955 1.1543 ( 8713 PWs) bands (ev): -68.3335 -68.3335 -68.3323 -68.3323 -38.1028 -38.1028 -38.0996 -38.0996 -36.9393 -36.9393 -36.9343 -36.9343 -36.8459 -36.8459 -36.8448 -36.8448 -17.7147 -17.7147 -4.5849 -4.5849 -2.8031 -2.8031 -2.4149 -2.4149 0.2551 0.2551 0.3820 0.3820 5.6260 5.6260 5.8807 5.8807 6.9496 6.9496 7.0654 7.0654 7.5055 7.5055 8.1812 8.1812 8.6885 8.6885 8.9879 8.9879 9.1091 9.1091 9.2607 9.2607 9.9231 9.9231 10.1327 10.1327 10.3078 10.3078 10.3307 10.3307 11.4328 11.4328 11.4983 11.4983 k =-0.0917 0.2099 1.1386 ( 8703 PWs) bands (ev): -68.3331 -68.3331 -68.3316 -68.3316 -38.1029 -38.1029 -38.0994 -38.0994 -36.9392 -36.9392 -36.9337 -36.9337 -36.8462 -36.8462 -36.8450 -36.8450 -17.7161 -17.7161 -4.5825 -4.5825 -2.7997 -2.7997 -2.4156 -2.4156 0.2608 0.2608 0.3659 0.3659 5.6577 5.6577 5.8837 5.8837 6.9648 6.9648 7.0746 7.0746 7.4901 7.4901 8.1391 8.1391 8.7004 8.7004 8.9883 8.9883 9.1214 9.1214 9.2913 9.2913 9.9414 9.9414 10.1276 10.1276 10.3262 10.3262 10.3507 10.3507 11.4451 11.4451 11.5030 11.5030 k =-0.0980 0.2242 1.1229 ( 8711 PWs) bands (ev): -68.3341 -68.3341 -68.3315 -68.3315 -38.1030 -38.1030 -38.0992 -38.0992 -36.9391 -36.9391 -36.9332 -36.9332 -36.8466 -36.8466 -36.8453 -36.8453 -17.7176 -17.7176 -4.5800 -4.5800 -2.7962 -2.7962 -2.4159 -2.4159 0.2664 0.2664 0.3491 0.3491 5.6904 5.6904 5.8860 5.8860 6.9810 6.9810 7.0841 7.0841 7.4744 7.4744 8.0974 8.0974 8.7122 8.7122 8.9867 8.9867 9.1323 9.1323 9.3209 9.3209 9.9528 9.9528 10.1182 10.1182 10.3425 10.3425 10.3684 10.3684 11.4532 11.4532 11.5105 11.5105 k =-0.1043 0.2386 1.1072 ( 8711 PWs) bands (ev): -68.3341 -68.3341 -68.3315 -68.3315 -38.1030 -38.1030 -38.0990 -38.0990 -36.9390 -36.9390 -36.9326 -36.9326 -36.8470 -36.8470 -36.8456 -36.8456 -17.7192 -17.7192 -4.5774 -4.5774 -2.7927 -2.7927 -2.4157 -2.4157 0.2721 0.2721 0.3318 0.3318 5.7248 5.7248 5.8870 5.8870 6.9981 6.9981 7.0945 7.0945 7.4592 7.4592 8.0575 8.0575 8.7262 8.7262 8.9869 8.9869 9.1448 9.1448 9.3519 9.3519 9.9652 9.9652 10.1102 10.1102 10.3625 10.3625 10.3885 10.3885 11.4662 11.4662 11.5162 11.5162 k =-0.1106 0.2530 1.0915 ( 8716 PWs) bands (ev): -68.3344 -68.3344 -68.3318 -68.3318 -38.1031 -38.1031 -38.0988 -38.0988 -36.9389 -36.9389 -36.9321 -36.9321 -36.8475 -36.8475 -36.8460 -36.8460 -17.7209 -17.7209 -4.5749 -4.5749 -2.7894 -2.7894 -2.4149 -2.4149 0.2773 0.2773 0.3144 0.3144 5.7594 5.7594 5.8868 5.8868 7.0155 7.0155 7.1053 7.1053 7.4444 7.4444 8.0191 8.0191 8.7400 8.7400 8.9876 8.9876 9.1570 9.1570 9.3837 9.3837 9.9740 9.9740 10.1026 10.1026 10.3852 10.3852 10.4115 10.4115 11.4757 11.4757 11.5209 11.5209 k =-0.1169 0.2673 1.0759 ( 8710 PWs) bands (ev): -68.3343 -68.3343 -68.3313 -68.3313 -38.1032 -38.1032 -38.0985 -38.0985 -36.9388 -36.9388 -36.9315 -36.9315 -36.8479 -36.8479 -36.8463 -36.8463 -17.7226 -17.7226 -4.5723 -4.5723 -2.7863 -2.7863 -2.4133 -2.4133 0.2810 0.2810 0.2984 0.2984 5.7952 5.7952 5.8864 5.8864 7.0336 7.0336 7.1165 7.1165 7.4311 7.4311 7.9825 7.9825 8.7587 8.7587 8.9887 8.9887 9.1724 9.1724 9.4156 9.4156 9.9796 9.9796 10.0963 10.0963 10.4095 10.4095 10.4386 10.4386 11.4909 11.4909 11.5293 11.5293 k =-0.1231 0.2817 1.0602 ( 8706 PWs) bands (ev): -68.3339 -68.3339 -68.3313 -68.3313 -38.1032 -38.1032 -38.0983 -38.0983 -36.9386 -36.9386 -36.9308 -36.9308 -36.8484 -36.8484 -36.8467 -36.8467 -17.7244 -17.7244 -4.5698 -4.5698 -2.7834 -2.7834 -2.4109 -2.4109 0.2734 0.2734 0.2933 0.2933 5.8307 5.8307 5.8854 5.8854 7.0515 7.0515 7.1281 7.1281 7.4185 7.4185 7.9474 7.9474 8.7782 8.7782 8.9911 8.9911 9.1881 9.1881 9.4478 9.4478 9.9825 9.9825 10.0890 10.0890 10.4320 10.4320 10.4700 10.4700 11.5070 11.5070 11.5385 11.5385 k =-0.1294 0.2961 1.0445 ( 8703 PWs) bands (ev): -68.3337 -68.3337 -68.3312 -68.3312 -38.1033 -38.1033 -38.0981 -38.0981 -36.9384 -36.9384 -36.9302 -36.9302 -36.8489 -36.8489 -36.8471 -36.8471 -17.7262 -17.7262 -4.5674 -4.5674 -2.7809 -2.7809 -2.4077 -2.4077 0.2564 0.2564 0.2973 0.2973 5.8611 5.8611 5.8890 5.8890 7.0693 7.0693 7.1396 7.1396 7.4070 7.4070 7.9148 7.9148 8.7990 8.7990 8.9937 8.9937 9.2047 9.2047 9.4803 9.4803 9.9808 9.9808 10.0801 10.0801 10.4514 10.4514 10.5046 10.5046 11.5241 11.5241 11.5538 11.5538 k =-0.1357 0.3104 1.0288 ( 8701 PWs) bands (ev): -68.3338 -68.3338 -68.3309 -68.3309 -38.1033 -38.1033 -38.0979 -38.0979 -36.9382 -36.9382 -36.9296 -36.9296 -36.8493 -36.8493 -36.8475 -36.8475 -17.7281 -17.7281 -4.5651 -4.5651 -2.7789 -2.7789 -2.4035 -2.4035 0.2382 0.2382 0.3024 0.3024 5.8700 5.8700 5.9124 5.9124 7.0866 7.0866 7.1515 7.1515 7.3970 7.3970 7.8851 7.8851 8.8210 8.8210 8.9961 8.9961 9.2201 9.2201 9.5131 9.5131 9.9792 9.9792 10.0692 10.0692 10.4687 10.4687 10.5464 10.5464 11.5395 11.5395 11.5699 11.5699 k =-0.1420 0.3248 1.0131 ( 8698 PWs) bands (ev): -68.3341 -68.3341 -68.3303 -68.3303 -38.1033 -38.1033 -38.0977 -38.0977 -36.9380 -36.9380 -36.9290 -36.9290 -36.8498 -36.8498 -36.8480 -36.8480 -17.7300 -17.7300 -4.5629 -4.5629 -2.7773 -2.7773 -2.3983 -2.3983 0.2200 0.2200 0.3075 0.3075 5.8674 5.8674 5.9458 5.9458 7.1036 7.1036 7.1633 7.1633 7.3888 7.3888 7.8573 7.8573 8.8443 8.8443 9.0007 9.0007 9.2382 9.2382 9.5462 9.5462 9.9735 9.9735 10.0581 10.0581 10.4865 10.4865 10.5906 10.5906 11.5528 11.5528 11.5862 11.5862 k =-0.1483 0.3392 0.9975 ( 8706 PWs) bands (ev): -68.3348 -68.3348 -68.3306 -68.3306 -38.1034 -38.1034 -38.0975 -38.0975 -36.9378 -36.9378 -36.9283 -36.9283 -36.8503 -36.8503 -36.8484 -36.8484 -17.7320 -17.7320 -4.5609 -4.5609 -2.7763 -2.7763 -2.3922 -2.3922 0.2018 0.2018 0.3125 0.3125 5.8617 5.8617 5.9803 5.9803 7.1188 7.1188 7.1749 7.1749 7.3823 7.3823 7.8303 7.8303 8.8673 8.8673 9.0045 9.0045 9.2574 9.2574 9.5774 9.5774 9.9636 9.9636 10.0447 10.0447 10.5010 10.5010 10.6369 10.6369 11.5608 11.5608 11.6054 11.6054 k =-0.1545 0.3536 0.9818 ( 8695 PWs) bands (ev): -68.3339 -68.3339 -68.3302 -68.3302 -38.1034 -38.1034 -38.0973 -38.0973 -36.9375 -36.9375 -36.9277 -36.9277 -36.8508 -36.8508 -36.8489 -36.8489 -17.7339 -17.7339 -4.5590 -4.5590 -2.7757 -2.7757 -2.3851 -2.3851 0.1839 0.1839 0.3173 0.3173 5.8551 5.8551 6.0146 6.0146 7.1337 7.1337 7.1870 7.1870 7.3781 7.3781 7.8080 7.8080 8.8927 8.8927 9.0130 9.0130 9.2765 9.2765 9.6100 9.6100 9.9568 9.9568 10.0338 10.0338 10.5178 10.5178 10.6886 10.6886 11.5692 11.5692 11.6323 11.6323 k =-0.1608 0.3679 0.9661 ( 8693 PWs) bands (ev): -68.3338 -68.3338 -68.3302 -68.3302 -38.1034 -38.1034 -38.0971 -38.0971 -36.9373 -36.9373 -36.9270 -36.9270 -36.8513 -36.8513 -36.8493 -36.8493 -17.7358 -17.7358 -4.5572 -4.5572 -2.7757 -2.7757 -2.3771 -2.3771 0.1663 0.1663 0.3220 0.3220 5.8473 5.8473 6.0473 6.0473 7.1473 7.1473 7.1987 7.1987 7.3757 7.3757 7.7868 7.7868 8.9198 8.9198 9.0196 9.0196 9.2965 9.2965 9.6406 9.6406 9.9457 9.9457 10.0206 10.0206 10.5322 10.5322 10.7415 10.7415 11.5751 11.5751 11.6592 11.6592 k =-0.1671 0.3823 0.9504 ( 8697 PWs) bands (ev): -68.3341 -68.3341 -68.3304 -68.3304 -38.1034 -38.1034 -38.0969 -38.0969 -36.9371 -36.9371 -36.9264 -36.9264 -36.8518 -36.8518 -36.8498 -36.8498 -17.7376 -17.7376 -4.5557 -4.5557 -2.7761 -2.7761 -2.3684 -2.3684 0.1492 0.1492 0.3263 0.3263 5.8386 5.8386 6.0782 6.0782 7.1599 7.1599 7.2107 7.2107 7.3750 7.3750 7.7677 7.7677 8.9465 8.9465 9.0263 9.0263 9.3159 9.3159 9.6702 9.6702 9.9319 9.9319 10.0049 10.0049 10.5455 10.5455 10.7971 10.7971 11.5753 11.5753 11.6877 11.6877 k =-0.1734 0.3967 0.9347 ( 8689 PWs) bands (ev): -68.3337 -68.3337 -68.3299 -68.3299 -38.1034 -38.1034 -38.0967 -38.0967 -36.9368 -36.9368 -36.9258 -36.9258 -36.8523 -36.8523 -36.8502 -36.8502 -17.7395 -17.7395 -4.5543 -4.5543 -2.7770 -2.7770 -2.3590 -2.3590 0.1326 0.1326 0.3305 0.3305 5.8294 5.8294 6.1074 6.1074 7.1712 7.1712 7.2235 7.2235 7.3769 7.3769 7.7505 7.7505 8.9750 8.9750 9.0351 9.0351 9.3369 9.3369 9.6991 9.6991 9.9186 9.9186 9.9935 9.9935 10.5614 10.5614 10.8572 10.8572 11.5759 11.5759 11.7174 11.7174 k =-0.1797 0.4110 0.9190 ( 8687 PWs) bands (ev): -68.3335 -68.3335 -68.3299 -68.3299 -38.1034 -38.1034 -38.0965 -38.0965 -36.9365 -36.9365 -36.9252 -36.9252 -36.8528 -36.8528 -36.8507 -36.8507 -17.7413 -17.7413 -4.5530 -4.5530 -2.7782 -2.7782 -2.3490 -2.3490 0.1167 0.1167 0.3343 0.3343 5.8194 5.8194 6.1345 6.1345 7.1810 7.1810 7.2362 7.2362 7.3796 7.3796 7.7353 7.7353 9.0017 9.0017 9.0446 9.0446 9.3592 9.3592 9.7258 9.7258 9.9031 9.9031 9.9787 9.9787 10.5762 10.5762 10.9183 10.9183 11.5705 11.5705 11.7519 11.7519 k =-0.1859 0.4254 0.9034 ( 8688 PWs) bands (ev): -68.3338 -68.3338 -68.3298 -68.3298 -38.1034 -38.1034 -38.0964 -38.0964 -36.9363 -36.9363 -36.9246 -36.9246 -36.8532 -36.8532 -36.8512 -36.8512 -17.7430 -17.7430 -4.5519 -4.5519 -2.7798 -2.7798 -2.3386 -2.3386 0.1015 0.1015 0.3379 0.3379 5.8091 5.8091 6.1595 6.1595 7.1901 7.1901 7.2498 7.2498 7.3837 7.3837 7.7208 7.7208 9.0305 9.0305 9.0557 9.0557 9.3797 9.3797 9.7510 9.7510 9.8859 9.8859 9.9610 9.9610 10.5882 10.5882 10.9828 10.9828 11.5618 11.5618 11.7843 11.7843 k =-0.1922 0.4398 0.8877 ( 8679 PWs) bands (ev): -68.3332 -68.3332 -68.3295 -68.3295 -38.1034 -38.1034 -38.0962 -38.0962 -36.9360 -36.9360 -36.9240 -36.9240 -36.8537 -36.8537 -36.8516 -36.8516 -17.7447 -17.7447 -4.5510 -4.5510 -2.7816 -2.7816 -2.3281 -2.3281 0.0870 0.0870 0.3412 0.3412 5.7982 5.7982 6.1822 6.1822 7.1989 7.1989 7.2644 7.2644 7.3893 7.3893 7.7076 7.7076 9.0564 9.0564 9.0735 9.0735 9.4035 9.4035 9.7743 9.7743 9.8708 9.8708 9.9437 9.9437 10.6037 10.6037 11.0519 11.0519 11.5470 11.5470 11.8182 11.8182 k =-0.1985 0.4541 0.8720 ( 8675 PWs) bands (ev): -68.3330 -68.3330 -68.3293 -68.3293 -38.1034 -38.1034 -38.0960 -38.0960 -36.9358 -36.9358 -36.9234 -36.9234 -36.8541 -36.8541 -36.8520 -36.8520 -17.7463 -17.7463 -4.5502 -4.5502 -2.7836 -2.7836 -2.3174 -2.3174 0.0734 0.0734 0.3443 0.3443 5.7872 5.7872 6.2024 6.2024 7.2068 7.2068 7.2797 7.2797 7.3951 7.3951 7.6954 7.6954 9.0714 9.0714 9.1001 9.1001 9.4252 9.4252 9.7948 9.7948 9.8540 9.8540 9.9267 9.9267 10.6199 10.6199 11.1226 11.1226 11.5278 11.5278 11.8538 11.8538 k =-0.2048 0.4685 0.8563 ( 8675 PWs) bands (ev): -68.3331 -68.3331 -68.3293 -68.3293 -38.1034 -38.1034 -38.0959 -38.0959 -36.9355 -36.9355 -36.9229 -36.9229 -36.8545 -36.8545 -36.8524 -36.8524 -17.7478 -17.7478 -4.5495 -4.5495 -2.7857 -2.7857 -2.3068 -2.3068 0.0607 0.0607 0.3471 0.3471 5.7762 5.7762 6.2200 6.2200 7.2141 7.2141 7.2954 7.2954 7.4015 7.4015 7.6832 7.6832 9.0821 9.0821 9.1290 9.1290 9.4451 9.4451 9.8109 9.8109 9.8387 9.8387 9.9112 9.9112 10.6380 10.6380 11.1958 11.1958 11.5043 11.5043 11.8856 11.8856 k =-0.2111 0.4829 0.8406 ( 8679 PWs) bands (ev): -68.3333 -68.3333 -68.3295 -68.3295 -38.1035 -38.1035 -38.0958 -38.0958 -36.9353 -36.9353 -36.9224 -36.9224 -36.8549 -36.8549 -36.8528 -36.8528 -17.7492 -17.7492 -4.5490 -4.5490 -2.7878 -2.7878 -2.2966 -2.2966 0.0489 0.0489 0.3495 0.3495 5.7654 5.7654 6.2354 6.2354 7.2199 7.2199 7.3123 7.3123 7.4078 7.4078 7.6712 7.6712 9.0928 9.0928 9.1592 9.1592 9.4638 9.4638 9.8132 9.8132 9.8304 9.8304 9.8952 9.8952 10.6544 10.6544 11.2714 11.2714 11.4774 11.4774 11.9185 11.9185 k =-0.2174 0.4972 0.8250 ( 8673 PWs) bands (ev): -68.3338 -68.3338 -68.3284 -68.3284 -38.1034 -38.1034 -38.0957 -38.0957 -36.9351 -36.9351 -36.9219 -36.9219 -36.8552 -36.8552 -36.8532 -36.8532 -17.7505 -17.7505 -4.5485 -4.5485 -2.7899 -2.7899 -2.2867 -2.2867 0.0381 0.0381 0.3518 0.3518 5.7551 5.7551 6.2489 6.2489 7.2262 7.2262 7.3310 7.3310 7.4141 7.4141 7.6592 7.6592 9.1054 9.1054 9.1897 9.1897 9.4821 9.4821 9.7971 9.7971 9.8308 9.8308 9.8907 9.8907 10.6745 10.6745 11.3487 11.3487 11.4499 11.4499 11.9534 11.9534 k =-0.2236 0.5116 0.8093 ( 8672 PWs) bands (ev): -68.3336 -68.3336 -68.3286 -68.3286 -38.1034 -38.1034 -38.0955 -38.0955 -36.9349 -36.9349 -36.9215 -36.9215 -36.8555 -36.8555 -36.8536 -36.8536 -17.7517 -17.7517 -4.5482 -4.5482 -2.7920 -2.7920 -2.2774 -2.2774 0.0283 0.0283 0.3538 0.3538 5.7452 5.7452 6.2602 6.2602 7.2310 7.2310 7.3499 7.3499 7.4205 7.4205 7.6464 7.6464 9.1180 9.1180 9.2203 9.2203 9.4978 9.4978 9.7810 9.7810 9.8209 9.8209 9.8937 9.8937 10.6945 10.6945 11.4162 11.4162 11.4295 11.4295 11.9860 11.9860 k =-0.2299 0.5260 0.7936 ( 8672 PWs) bands (ev): -68.3330 -68.3330 -68.3292 -68.3292 -38.1034 -38.1034 -38.0954 -38.0954 -36.9347 -36.9347 -36.9211 -36.9211 -36.8558 -36.8558 -36.8539 -36.8539 -17.7527 -17.7527 -4.5479 -4.5479 -2.7939 -2.7939 -2.2689 -2.2689 0.0196 0.0196 0.3555 0.3555 5.7359 5.7359 6.2696 6.2696 7.2353 7.2353 7.3690 7.3690 7.4264 7.4264 7.6338 7.6338 9.1302 9.1302 9.2480 9.2480 9.5119 9.5119 9.7659 9.7659 9.8042 9.8042 9.9028 9.9028 10.7175 10.7175 11.3871 11.3871 11.5035 11.5035 12.0163 12.0163 k =-0.2362 0.5404 0.7779 ( 8674 PWs) bands (ev): -68.3335 -68.3335 -68.3290 -68.3290 -38.1034 -38.1034 -38.0954 -38.0954 -36.9346 -36.9346 -36.9208 -36.9208 -36.8561 -36.8561 -36.8542 -36.8542 -17.7537 -17.7537 -4.5477 -4.5477 -2.7957 -2.7957 -2.2612 -2.2612 0.0119 0.0119 0.3570 0.3570 5.7276 5.7276 6.2771 6.2771 7.2395 7.2395 7.3895 7.3895 7.4312 7.4312 7.6201 7.6201 9.1413 9.1413 9.2759 9.2759 9.5245 9.5245 9.7486 9.7486 9.7853 9.7853 9.9102 9.9102 10.7415 10.7415 11.3548 11.3548 11.5795 11.5795 12.0441 12.0441 k =-0.2425 0.5547 0.7622 ( 8678 PWs) bands (ev): -68.3335 -68.3335 -68.3295 -68.3295 -38.1034 -38.1034 -38.0953 -38.0953 -36.9344 -36.9344 -36.9205 -36.9205 -36.8563 -36.8563 -36.8544 -36.8544 -17.7545 -17.7545 -4.5475 -4.5475 -2.7972 -2.7972 -2.2545 -2.2545 0.0054 0.0054 0.3582 0.3582 5.7202 5.7202 6.2832 6.2832 7.2429 7.2429 7.4089 7.4089 7.4362 7.4362 7.6054 7.6054 9.1495 9.1495 9.2999 9.2999 9.5361 9.5361 9.7331 9.7331 9.7672 9.7672 9.9183 9.9183 10.7667 10.7667 11.3243 11.3243 11.6506 11.6506 12.0680 12.0680 k =-0.2488 0.5691 0.7465 ( 8677 PWs) bands (ev): -68.3340 -68.3340 -68.3290 -68.3290 -38.1034 -38.1034 -38.0952 -38.0952 -36.9343 -36.9343 -36.9203 -36.9203 -36.8565 -36.8565 -36.8546 -36.8546 -17.7551 -17.7551 -4.5474 -4.5474 -2.7985 -2.7985 -2.2488 -2.2488 0.0001 0.0001 0.3592 0.3592 5.7141 5.7141 6.2880 6.2880 7.2463 7.2463 7.4290 7.4290 7.4398 7.4398 7.5906 7.5906 9.1578 9.1578 9.3237 9.3237 9.5475 9.5475 9.7174 9.7174 9.7512 9.7512 9.9254 9.9254 10.7915 10.7915 11.2940 11.2940 11.7163 11.7163 12.0889 12.0889 k =-0.2550 0.5835 0.7309 ( 8677 PWs) bands (ev): -68.3338 -68.3338 -68.3292 -68.3292 -38.1034 -38.1034 -38.0952 -38.0952 -36.9342 -36.9342 -36.9201 -36.9201 -36.8567 -36.8567 -36.8548 -36.8548 -17.7556 -17.7556 -4.5473 -4.5473 -2.7996 -2.7996 -2.2444 -2.2444 -0.0041 -0.0041 0.3600 0.3600 5.7092 5.7092 6.2915 6.2915 7.2487 7.2487 7.4429 7.4429 7.4483 7.4483 7.5754 7.5754 9.1640 9.1640 9.3445 9.3445 9.5570 9.5570 9.7021 9.7021 9.7380 9.7380 9.9308 9.9308 10.8148 10.8148 11.2685 11.2685 11.7726 11.7726 12.0745 12.0745 k =-0.2613 0.5978 0.7152 ( 8677 PWs) bands (ev): -68.3336 -68.3336 -68.3294 -68.3294 -38.1034 -38.1034 -38.0952 -38.0952 -36.9341 -36.9341 -36.9199 -36.9199 -36.8568 -36.8568 -36.8549 -36.8549 -17.7560 -17.7560 -4.5473 -4.5473 -2.8004 -2.8004 -2.2411 -2.2411 -0.0071 -0.0071 0.3605 0.3605 5.7056 5.7056 6.2939 6.2939 7.2503 7.2503 7.4457 7.4457 7.4665 7.4665 7.5603 7.5603 9.1699 9.1699 9.3593 9.3593 9.5657 9.5657 9.6877 9.6877 9.7283 9.7283 9.9344 9.9344 10.8342 10.8342 11.2476 11.2476 11.8162 11.8162 12.0568 12.0568 k =-0.2676 0.6122 0.6995 ( 8679 PWs) bands (ev): -68.3336 -68.3336 -68.3296 -68.3296 -38.1034 -38.1034 -38.0951 -38.0951 -36.9341 -36.9341 -36.9199 -36.9199 -36.8569 -36.8569 -36.8549 -36.8549 -17.7562 -17.7562 -4.5473 -4.5473 -2.8008 -2.8008 -2.2392 -2.2392 -0.0089 -0.0089 0.3608 0.3608 5.7034 5.7034 6.2953 6.2953 7.2513 7.2513 7.4471 7.4471 7.4817 7.4817 7.5467 7.5467 9.1738 9.1738 9.3693 9.3693 9.5724 9.5724 9.6754 9.6754 9.7214 9.7214 9.9367 9.9367 10.8477 10.8477 11.2333 11.2333 11.8426 11.8426 12.0462 12.0462 k =-0.2739 0.6266 0.6838 ( 8675 PWs) bands (ev): -68.3338 -68.3338 -68.3290 -68.3290 -38.1034 -38.1034 -38.0951 -38.0951 -36.9341 -36.9341 -36.9198 -36.9198 -36.8569 -36.8569 -36.8549 -36.8549 -17.7563 -17.7563 -4.5472 -4.5472 -2.8010 -2.8010 -2.2385 -2.2385 -0.0095 -0.0095 0.3610 0.3610 5.7028 5.7028 6.2958 6.2958 7.2523 7.2523 7.4475 7.4475 7.4895 7.4895 7.5404 7.5404 9.1752 9.1752 9.3740 9.3740 9.5754 9.5754 9.6714 9.6714 9.7191 9.7191 9.9372 9.9372 10.8537 10.8537 11.2281 11.2281 11.8519 11.8519 12.0430 12.0430 k =-0.2739 0.6266 0.6838 ( 8675 PWs) bands (ev): -68.3338 -68.3338 -68.3290 -68.3290 -38.1034 -38.1034 -38.0951 -38.0951 -36.9341 -36.9341 -36.9198 -36.9198 -36.8569 -36.8569 -36.8549 -36.8549 -17.7563 -17.7563 -4.5472 -4.5472 -2.8010 -2.8010 -2.2385 -2.2385 -0.0095 -0.0095 0.3610 0.3610 5.7028 5.7028 6.2958 6.2958 7.2523 7.2523 7.4475 7.4475 7.4895 7.4895 7.5404 7.5404 9.1752 9.1752 9.3740 9.3740 9.5754 9.5754 9.6714 9.6714 9.7191 9.7191 9.9372 9.9372 10.8537 10.8537 11.2281 11.2281 11.8519 11.8519 12.0430 12.0430 k =-0.2675 0.6120 0.6679 ( 8667 PWs) bands (ev): -68.3330 -68.3330 -68.3289 -68.3289 -38.1023 -38.1023 -38.0962 -38.0962 -36.9322 -36.9322 -36.9217 -36.9217 -36.8566 -36.8566 -36.8552 -36.8552 -17.7558 -17.7558 -4.5498 -4.5498 -2.8035 -2.8035 -2.2354 -2.2354 0.0072 0.0072 0.3465 0.3465 5.6938 5.6938 6.3099 6.3099 7.2367 7.2367 7.4312 7.4312 7.5062 7.5062 7.5441 7.5441 9.2198 9.2198 9.3908 9.3908 9.5305 9.5305 9.6587 9.6587 9.7055 9.7055 9.9329 9.9329 10.8120 10.8120 11.2272 11.2272 11.8660 11.8660 12.0998 12.0998 k =-0.2611 0.5974 0.6520 ( 8667 PWs) bands (ev): -68.3321 -68.3321 -68.3298 -68.3298 -38.1012 -38.1012 -38.0973 -38.0973 -36.9303 -36.9303 -36.9236 -36.9236 -36.8564 -36.8564 -36.8554 -36.8554 -17.7554 -17.7554 -4.5516 -4.5516 -2.8052 -2.8052 -2.2329 -2.2329 0.0244 0.0244 0.3295 0.3295 5.6889 5.6889 6.3258 6.3258 7.2162 7.2162 7.4155 7.4155 7.5224 7.5224 7.5464 7.5464 9.2640 9.2640 9.4070 9.4070 9.4872 9.4872 9.6445 9.6445 9.6933 9.6933 9.9268 9.9268 10.7718 10.7718 11.2281 11.2281 11.8789 11.8789 12.0625 12.0625 k =-0.2548 0.5829 0.6361 ( 8671 PWs) bands (ev): -68.3321 -68.3321 -68.3302 -68.3302 -38.1001 -38.1001 -38.0985 -38.0985 -36.9284 -36.9284 -36.9256 -36.9256 -36.8561 -36.8561 -36.8557 -36.8557 -17.7552 -17.7552 -4.5526 -4.5526 -2.8061 -2.8061 -2.2311 -2.2311 0.0422 0.0422 0.3099 0.3099 5.6880 5.6880 6.3438 6.3438 7.1919 7.1919 7.4002 7.4002 7.5390 7.5390 7.5471 7.5471 9.3079 9.3079 9.4074 9.4074 9.4567 9.4567 9.6305 9.6305 9.6835 9.6835 9.9238 9.9238 10.7344 10.7344 11.2302 11.2302 11.8917 11.8917 12.0246 12.0246 k =-0.2484 0.5683 0.6202 ( 8683 PWs) bands (ev): -68.3321 -68.3321 -68.3315 -68.3315 -38.0996 -38.0996 -38.0990 -38.0990 -36.9275 -36.9275 -36.9265 -36.9265 -36.8560 -36.8560 -36.8558 -36.8558 -17.7552 -17.7552 -4.5527 -4.5527 -2.8063 -2.8063 -2.2301 -2.2301 0.0605 0.0605 0.2880 0.2880 5.6913 5.6913 6.3636 6.3636 7.1632 7.1632 7.3849 7.3849 7.5462 7.5462 7.5552 7.5552 9.3504 9.3504 9.3743 9.3743 9.4601 9.4601 9.6152 9.6152 9.6777 9.6777 9.9191 9.9191 10.6987 10.6987 11.2332 11.2332 11.9025 11.9025 11.9854 11.9854 k =-0.2420 0.5537 0.6043 ( 8677 PWs) bands (ev): -68.3322 -68.3322 -68.3308 -68.3308 -38.1007 -38.1007 -38.0979 -38.0979 -36.9294 -36.9294 -36.9246 -36.9246 -36.8562 -36.8562 -36.8556 -36.8556 -17.7553 -17.7553 -4.5521 -4.5521 -2.8056 -2.8056 -2.2297 -2.2297 0.0793 0.0793 0.2638 0.2638 5.6986 5.6986 6.3855 6.3855 7.1305 7.1305 7.3716 7.3716 7.5441 7.5441 7.5725 7.5725 9.3307 9.3307 9.3990 9.3990 9.4784 9.4784 9.6051 9.6051 9.6798 9.6798 9.9200 9.9200 10.6651 10.6651 11.2409 11.2409 11.9120 11.9120 11.9505 11.9505 k =-0.2357 0.5391 0.5884 ( 8669 PWs) bands (ev): -68.3321 -68.3321 -68.3300 -68.3300 -38.1018 -38.1018 -38.0968 -38.0968 -36.9313 -36.9313 -36.9226 -36.9226 -36.8565 -36.8565 -36.8553 -36.8553 -17.7556 -17.7556 -4.5507 -4.5507 -2.8041 -2.8041 -2.2301 -2.2301 0.0986 0.0986 0.2375 0.2375 5.7097 5.7097 6.4095 6.4095 7.0944 7.0944 7.3591 7.3591 7.5415 7.5415 7.5887 7.5887 9.2872 9.2872 9.4392 9.4392 9.5009 9.5009 9.5981 9.5981 9.6918 9.6918 9.9218 9.9218 10.6346 10.6346 11.2511 11.2511 11.9029 11.9029 11.9334 11.9334 k =-0.2293 0.5246 0.5725 ( 8675 PWs) bands (ev): -68.3332 -68.3332 -68.3295 -68.3295 -38.1029 -38.1029 -38.0957 -38.0957 -36.9332 -36.9332 -36.9208 -36.9208 -36.8567 -36.8567 -36.8551 -36.8551 -17.7560 -17.7560 -4.5484 -4.5484 -2.8018 -2.8018 -2.2311 -2.2311 0.1182 0.1182 0.2091 0.2091 5.7246 5.7246 6.4352 6.4352 7.0548 7.0548 7.3467 7.3467 7.5363 7.5363 7.6046 7.6046 9.2407 9.2407 9.4719 9.4719 9.5287 9.5287 9.5914 9.5914 9.7011 9.7011 9.9242 9.9242 10.6064 10.6064 11.2622 11.2622 11.8663 11.8663 11.9402 11.9402 k =-0.2229 0.5100 0.5566 ( 8675 PWs) bands (ev): -68.3332 -68.3332 -68.3296 -68.3296 -38.1040 -38.1040 -38.0946 -38.0946 -36.9351 -36.9351 -36.9189 -36.9189 -36.8570 -36.8570 -36.8548 -36.8548 -17.7567 -17.7567 -4.5454 -4.5454 -2.7987 -2.7987 -2.2328 -2.2328 0.1376 0.1376 0.1793 0.1793 5.7429 5.7429 6.4628 6.4628 7.0130 7.0130 7.3358 7.3358 7.5293 7.5293 7.6200 7.6200 9.1970 9.1970 9.4942 9.4942 9.5614 9.5614 9.5899 9.5899 9.7194 9.7194 9.9290 9.9290 10.5823 10.5823 11.2770 11.2770 11.8269 11.8269 11.9491 11.9491 k =-0.2166 0.4954 0.5407 ( 8667 PWs) bands (ev): -68.3336 -68.3336 -68.3282 -68.3282 -38.1051 -38.1051 -38.0935 -38.0935 -36.9369 -36.9369 -36.9170 -36.9170 -36.8572 -36.8572 -36.8545 -36.8545 -17.7574 -17.7574 -4.5416 -4.5416 -2.7947 -2.7947 -2.2351 -2.2351 0.1428 0.1428 0.1624 0.1624 5.7647 5.7647 6.4923 6.4923 6.9684 6.9684 7.3252 7.3252 7.5226 7.5226 7.6352 7.6352 9.1533 9.1533 9.5120 9.5120 9.5841 9.5841 9.6134 9.6134 9.7394 9.7394 9.9382 9.9382 10.5604 10.5604 11.2933 11.2933 11.7883 11.7883 11.9599 11.9599 k =-0.2102 0.4809 0.5248 ( 8679 PWs) bands (ev): -68.3348 -68.3348 -68.3283 -68.3283 -38.1062 -38.1062 -38.0924 -38.0924 -36.9388 -36.9388 -36.9151 -36.9151 -36.8575 -36.8575 -36.8543 -36.8543 -17.7584 -17.7584 -4.5372 -4.5372 -2.7899 -2.7899 -2.2380 -2.2380 0.1112 0.1112 0.1807 0.1807 5.7892 5.7892 6.5235 6.5235 6.9218 6.9218 7.3143 7.3143 7.5129 7.5129 7.6496 7.6496 9.1060 9.1060 9.5201 9.5201 9.5896 9.5896 9.6534 9.6534 9.7608 9.7608 9.9444 9.9444 10.5408 10.5408 11.3105 11.3105 11.7498 11.7498 11.9678 11.9678 k =-0.2038 0.4663 0.5089 ( 8673 PWs) bands (ev): -68.3350 -68.3350 -68.3275 -68.3275 -38.1072 -38.1072 -38.0913 -38.0913 -36.9406 -36.9406 -36.9132 -36.9132 -36.8577 -36.8577 -36.8540 -36.8540 -17.7595 -17.7595 -4.5320 -4.5320 -2.7842 -2.7842 -2.2414 -2.2414 0.0761 0.0761 0.2013 0.2013 5.8163 5.8163 6.5563 6.5563 6.8741 6.8741 7.3053 7.3053 7.5029 7.5029 7.6644 7.6644 9.0655 9.0655 9.5281 9.5281 9.5998 9.5998 9.6980 9.6980 9.7841 9.7841 9.9583 9.9583 10.5249 10.5249 11.3316 11.3316 11.7132 11.7132 11.9776 11.9776 k =-0.1975 0.4517 0.4930 ( 8677 PWs) bands (ev): -68.3358 -68.3358 -68.3271 -68.3271 -38.1083 -38.1083 -38.0903 -38.0903 -36.9424 -36.9424 -36.9114 -36.9114 -36.8579 -36.8579 -36.8537 -36.8537 -17.7607 -17.7607 -4.5263 -4.5263 -2.7776 -2.7776 -2.2453 -2.2453 0.0395 0.0395 0.2220 0.2220 5.8454 5.8454 6.5906 6.5906 6.8261 6.8261 7.2965 7.2965 7.4909 7.4909 7.6783 7.6783 9.0222 9.0222 9.5323 9.5323 9.6094 9.6094 9.7430 9.7430 9.8108 9.8108 9.9695 9.9695 10.5123 10.5123 11.3544 11.3544 11.6778 11.6778 11.9854 11.9854 k =-0.1911 0.4371 0.4771 ( 8669 PWs) bands (ev): -68.3357 -68.3357 -68.3262 -68.3262 -38.1093 -38.1093 -38.0892 -38.0892 -36.9441 -36.9441 -36.9095 -36.9095 -36.8581 -36.8581 -36.8535 -36.8535 -17.7620 -17.7620 -4.5200 -4.5200 -2.7702 -2.7702 -2.2497 -2.2497 0.0017 0.0017 0.2429 0.2429 5.8758 5.8758 6.6259 6.6259 6.7789 6.7789 7.2890 7.2890 7.4784 7.4784 7.6924 7.6924 8.9841 8.9841 9.5393 9.5393 9.6210 9.6210 9.7897 9.7897 9.8386 9.8386 9.9853 9.9853 10.5035 10.5035 11.3803 11.3803 11.6454 11.6454 11.9946 11.9946 k =-0.1847 0.4226 0.4612 ( 8669 PWs) bands (ev): -68.3361 -68.3361 -68.3258 -68.3258 -38.1103 -38.1103 -38.0882 -38.0882 -36.9459 -36.9459 -36.9077 -36.9077 -36.8584 -36.8584 -36.8532 -36.8532 -17.7635 -17.7635 -4.5132 -4.5132 -2.7618 -2.7618 -2.2544 -2.2544 -0.0371 -0.0371 0.2637 0.2637 5.9068 5.9068 6.6597 6.6597 6.7359 6.7359 7.2814 7.2814 7.4653 7.4653 7.7053 7.7053 8.9436 8.9436 9.5459 9.5459 9.6317 9.6317 9.8330 9.8330 9.8680 9.8680 10.0011 10.0011 10.4986 10.4986 11.4074 11.4074 11.6117 11.6117 12.0038 12.0038 k =-0.1783 0.4080 0.4453 ( 8651 PWs) bands (ev): -68.3360 -68.3360 -68.3239 -68.3239 -38.1113 -38.1113 -38.0872 -38.0872 -36.9475 -36.9475 -36.9060 -36.9060 -36.8586 -36.8586 -36.8529 -36.8529 -17.7651 -17.7651 -4.5060 -4.5060 -2.7525 -2.7525 -2.2594 -2.2594 -0.0767 -0.0767 0.2846 0.2846 5.9375 5.9375 6.6690 6.6690 6.7216 6.7216 7.2748 7.2748 7.4531 7.4531 7.7190 7.7190 8.9044 8.9044 9.5580 9.5580 9.6437 9.6437 9.8796 9.8796 9.9004 9.9004 10.0232 10.0232 10.4981 10.4981 11.4374 11.4374 11.5841 11.5841 12.0148 12.0148 k =-0.1720 0.3934 0.4294 ( 8633 PWs) bands (ev): -68.3356 -68.3356 -68.3222 -68.3222 -38.1123 -38.1123 -38.0862 -38.0862 -36.9492 -36.9492 -36.9042 -36.9042 -36.8587 -36.8587 -36.8526 -36.8526 -17.7668 -17.7668 -4.4985 -4.4985 -2.7424 -2.7424 -2.2647 -2.2647 -0.1170 -0.1170 0.3051 0.3051 5.9666 5.9666 6.6376 6.6376 6.7533 6.7533 7.2696 7.2696 7.4393 7.4393 7.7312 7.7312 8.8665 8.8665 9.5681 9.5681 9.6555 9.6555 9.9220 9.9220 9.9386 9.9386 10.0440 10.0440 10.5034 10.5034 11.4709 11.4709 11.5560 11.5560 12.0257 12.0257 k =-0.1656 0.3789 0.4135 ( 8647 PWs) bands (ev): -68.3366 -68.3366 -68.3228 -68.3228 -38.1133 -38.1133 -38.0852 -38.0852 -36.9509 -36.9509 -36.9025 -36.9025 -36.8589 -36.8589 -36.8524 -36.8524 -17.7685 -17.7685 -4.4907 -4.4907 -2.7313 -2.7313 -2.2700 -2.2700 -0.1579 -0.1579 0.3253 0.3253 5.9912 5.9912 6.6035 6.6035 6.7934 6.7934 7.2630 7.2630 7.4230 7.4230 7.7416 7.7416 8.8257 8.8257 9.5754 9.5754 9.6600 9.6600 9.9568 9.9568 9.9729 9.9729 10.0619 10.0619 10.5101 10.5101 11.5026 11.5026 11.5250 11.5250 12.0336 12.0336 k =-0.1592 0.3643 0.3976 ( 8639 PWs) bands (ev): -68.3365 -68.3365 -68.3220 -68.3220 -38.1142 -38.1142 -38.0842 -38.0842 -36.9524 -36.9524 -36.9008 -36.9008 -36.8591 -36.8591 -36.8522 -36.8522 -17.7704 -17.7704 -4.4826 -4.4826 -2.7194 -2.7194 -2.2755 -2.2755 -0.1992 -0.1992 0.3451 0.3451 6.0097 6.0097 6.5766 6.5766 6.8357 6.8357 7.2584 7.2584 7.4091 7.4091 7.7526 7.7526 8.7909 8.7909 9.5859 9.5859 9.6655 9.6655 9.9904 9.9904 10.0120 10.0120 10.0837 10.0837 10.5216 10.5216 11.4987 11.4987 11.5407 11.5407 12.0462 12.0462 k =-0.1529 0.3497 0.3817 ( 8643 PWs) bands (ev): -68.3373 -68.3373 -68.3217 -68.3217 -38.1151 -38.1151 -38.0833 -38.0833 -36.9540 -36.9540 -36.8992 -36.8992 -36.8593 -36.8593 -36.8519 -36.8519 -17.7723 -17.7723 -4.4745 -4.4745 -2.7067 -2.7067 -2.2809 -2.2809 -0.2407 -0.2407 0.3645 0.3645 6.0198 6.0198 6.5596 6.5596 6.8790 6.8790 7.2536 7.2536 7.3948 7.3948 7.7628 7.7628 8.7529 8.7529 9.5940 9.5940 9.6687 9.6687 10.0201 10.0201 10.0506 10.0506 10.1042 10.1042 10.5360 10.5360 11.4745 11.4745 11.5779 11.5779 12.0575 12.0575 k =-0.1465 0.3351 0.3658 ( 8641 PWs) bands (ev): -68.3376 -68.3376 -68.3212 -68.3212 -38.1160 -38.1160 -38.0824 -38.0824 -36.9555 -36.9555 -36.8976 -36.8976 -36.8595 -36.8595 -36.8517 -36.8517 -17.7743 -17.7743 -4.4663 -4.4663 -2.6933 -2.6933 -2.2861 -2.2861 -0.2822 -0.2822 0.3834 0.3834 6.0196 6.0196 6.5552 6.5552 6.9227 6.9227 7.2499 7.2499 7.3818 7.3818 7.7721 7.7721 8.7183 8.7183 9.6022 9.6022 9.6729 9.6729 10.0514 10.0514 10.0868 10.0868 10.1271 10.1271 10.5544 10.5544 11.4488 11.4488 11.6176 11.6176 12.0701 12.0701 k =-0.1401 0.3206 0.3499 ( 8649 PWs) bands (ev): -68.3379 -68.3379 -68.3218 -68.3218 -38.1169 -38.1169 -38.0816 -38.0816 -36.9570 -36.9570 -36.8961 -36.8961 -36.8597 -36.8597 -36.8514 -36.8514 -17.7763 -17.7763 -4.4580 -4.4580 -2.6792 -2.6792 -2.2912 -2.2912 -0.3237 -0.3237 0.4018 0.4018 6.0083 6.0083 6.5623 6.5623 6.9661 6.9661 7.2462 7.2462 7.3685 7.3685 7.7808 7.7808 8.6847 8.6847 9.6076 9.6076 9.6764 9.6764 10.0807 10.0807 10.1205 10.1205 10.1502 10.1502 10.5739 10.5739 11.4240 11.4240 11.6583 11.6583 12.0815 12.0815 k =-0.1338 0.3060 0.3340 ( 8657 PWs) bands (ev): -68.3386 -68.3386 -68.3219 -68.3219 -38.1178 -38.1178 -38.0807 -38.0807 -36.9584 -36.9584 -36.8946 -36.8946 -36.8599 -36.8599 -36.8512 -36.8512 -17.7783 -17.7783 -4.4499 -4.4499 -2.6645 -2.6645 -2.2959 -2.2959 -0.3650 -0.3650 0.4195 0.4195 5.9873 5.9873 6.5805 6.5805 7.0085 7.0085 7.2430 7.2430 7.3580 7.3580 7.7893 7.7893 8.6522 8.6522 9.6095 9.6095 9.6807 9.6807 10.1074 10.1074 10.1518 10.1518 10.1758 10.1758 10.5945 10.5945 11.4045 11.4045 11.7004 11.7004 12.0935 12.0935 k =-0.1274 0.2914 0.3181 ( 8669 PWs) bands (ev): -68.3389 -68.3389 -68.3230 -68.3230 -38.1186 -38.1186 -38.0799 -38.0799 -36.9598 -36.9598 -36.8932 -36.8932 -36.8601 -36.8601 -36.8510 -36.8510 -17.7804 -17.7804 -4.4419 -4.4419 -2.6494 -2.6494 -2.3001 -2.3001 -0.4059 -0.4059 0.4366 0.4366 5.9587 5.9587 6.6076 6.6076 7.0479 7.0479 7.2388 7.2388 7.3497 7.3497 7.7970 7.7970 8.6179 8.6179 9.6089 9.6089 9.6864 9.6864 10.1360 10.1360 10.1789 10.1789 10.2063 10.2063 10.6185 10.6185 11.3854 11.3854 11.7416 11.7416 12.1045 12.1045 k =-0.1210 0.2769 0.3022 ( 8671 PWs) bands (ev): -68.3392 -68.3392 -68.3230 -68.3230 -38.1194 -38.1194 -38.0791 -38.0791 -36.9611 -36.9611 -36.8918 -36.8918 -36.8602 -36.8602 -36.8508 -36.8508 -17.7825 -17.7825 -4.4341 -4.4341 -2.6340 -2.6340 -2.3036 -2.3036 -0.4464 -0.4464 0.4530 0.4530 5.9246 5.9246 6.6421 6.6421 7.0836 7.0836 7.2368 7.2368 7.3484 7.3484 7.8040 7.8040 8.5882 8.5882 9.6053 9.6053 9.6957 9.6957 10.1625 10.1625 10.2062 10.2062 10.2378 10.2378 10.6436 10.6436 11.3660 11.3660 11.7864 11.7864 12.1179 12.1179 k =-0.1146 0.2623 0.2862 ( 8669 PWs) bands (ev): -68.3401 -68.3401 -68.3218 -68.3218 -38.1201 -38.1201 -38.0784 -38.0784 -36.9624 -36.9624 -36.8905 -36.8905 -36.8603 -36.8603 -36.8506 -36.8506 -17.7845 -17.7845 -4.4266 -4.4266 -2.6186 -2.6186 -2.3064 -2.3064 -0.4863 -0.4863 0.4688 0.4688 5.8871 5.8871 6.6825 6.6825 7.1127 7.1127 7.2358 7.2358 7.3546 7.3546 7.8113 7.8113 8.5574 8.5574 9.5982 9.5982 9.7061 9.7061 10.1860 10.1860 10.2340 10.2340 10.2708 10.2708 10.6679 10.6679 11.3538 11.3538 11.8330 11.8330 12.1308 12.1308 k =-0.1083 0.2477 0.2703 ( 8677 PWs) bands (ev): -68.3412 -68.3412 -68.3216 -68.3216 -38.1208 -38.1208 -38.0777 -38.0777 -36.9636 -36.9636 -36.8892 -36.8892 -36.8605 -36.8605 -36.8504 -36.8504 -17.7866 -17.7866 -4.4193 -4.4193 -2.6033 -2.6033 -2.3082 -2.3082 -0.5255 -0.5255 0.4837 0.4837 5.8478 5.8478 6.7249 6.7249 7.1325 7.1325 7.2344 7.2344 7.3697 7.3697 7.8176 7.8176 8.5292 8.5292 9.5894 9.5894 9.7158 9.7158 10.2060 10.2060 10.2583 10.2583 10.3008 10.3008 10.6910 10.6910 11.3419 11.3419 11.8792 11.8792 12.1417 12.1417 k =-0.1019 0.2331 0.2544 ( 8671 PWs) bands (ev): -68.3403 -68.3403 -68.3218 -68.3218 -38.1215 -38.1215 -38.0770 -38.0770 -36.9647 -36.9647 -36.8880 -36.8880 -36.8607 -36.8607 -36.8502 -36.8502 -17.7886 -17.7886 -4.4123 -4.4123 -2.5885 -2.5885 -2.3089 -2.3089 -0.5637 -0.5637 0.4978 0.4978 5.8081 5.8081 6.7688 6.7688 7.1424 7.1424 7.2330 7.2330 7.3946 7.3946 7.8236 7.8236 8.5051 8.5051 9.5839 9.5839 9.7276 9.7276 10.2278 10.2278 10.2889 10.2889 10.3322 10.3322 10.7162 10.7162 11.3344 11.3344 11.9250 11.9250 12.1518 12.1518 k =-0.0955 0.2186 0.2385 ( 8671 PWs) bands (ev): -68.3406 -68.3406 -68.3216 -68.3216 -38.1222 -38.1222 -38.0763 -38.0763 -36.9658 -36.9658 -36.8868 -36.8868 -36.8608 -36.8608 -36.8500 -36.8500 -17.7905 -17.7905 -4.4058 -4.4058 -2.5744 -2.5744 -2.3082 -2.3082 -0.6010 -0.6010 0.5111 0.5111 5.7683 5.7683 6.8139 6.8139 7.1446 7.1446 7.2317 7.2317 7.4271 7.4271 7.8290 7.8290 8.4811 8.4811 9.5750 9.5750 9.7389 9.7389 10.2483 10.2483 10.3157 10.3157 10.3607 10.3607 10.7391 10.7391 11.3288 11.3288 11.9712 11.9712 12.1593 12.1593 k =-0.0892 0.2040 0.2226 ( 8675 PWs) bands (ev): -68.3406 -68.3406 -68.3220 -68.3220 -38.1228 -38.1228 -38.0757 -38.0757 -36.9668 -36.9668 -36.8857 -36.8857 -36.8609 -36.8609 -36.8499 -36.8499 -17.7924 -17.7924 -4.3995 -4.3995 -2.5612 -2.5612 -2.3061 -2.3061 -0.6371 -0.6371 0.5237 0.5237 5.7291 5.7291 6.8583 6.8583 7.1430 7.1430 7.2299 7.2299 7.4653 7.4653 7.8337 7.8337 8.4578 8.4578 9.5646 9.5646 9.7494 9.7494 10.2689 10.2689 10.3422 10.3422 10.3873 10.3873 10.7594 10.7594 11.3172 11.3172 12.0159 12.0159 12.1672 12.1672 k =-0.0828 0.1894 0.2067 ( 8675 PWs) bands (ev): -68.3403 -68.3403 -68.3223 -68.3223 -38.1234 -38.1234 -38.0751 -38.0751 -36.9678 -36.9678 -36.8847 -36.8847 -36.8611 -36.8611 -36.8497 -36.8497 -17.7942 -17.7942 -4.3938 -4.3938 -2.5493 -2.5493 -2.3023 -2.3023 -0.6720 -0.6720 0.5353 0.5353 5.6910 5.6910 6.9003 6.9003 7.1373 7.1373 7.2288 7.2288 7.5065 7.5065 7.8379 7.8379 8.4372 8.4372 9.5535 9.5535 9.7623 9.7623 10.2940 10.2940 10.3670 10.3670 10.4115 10.4115 10.7770 10.7770 11.3140 11.3140 12.0606 12.0606 12.1721 12.1721 k =-0.0764 0.1749 0.1908 ( 8679 PWs) bands (ev): -68.3406 -68.3406 -68.3225 -68.3225 -38.1239 -38.1239 -38.0746 -38.0746 -36.9687 -36.9687 -36.8837 -36.8837 -36.8612 -36.8612 -36.8495 -36.8495 -17.7960 -17.7960 -4.3884 -4.3884 -2.5389 -2.5389 -2.2969 -2.2969 -0.7054 -0.7054 0.5462 0.5462 5.6547 5.6547 6.9428 6.9428 7.1304 7.1304 7.2281 7.2281 7.5485 7.5485 7.8416 7.8416 8.4167 8.4167 9.5431 9.5431 9.7703 9.7703 10.3164 10.3164 10.3898 10.3898 10.4337 10.4337 10.7920 10.7920 11.3047 11.3047 12.1046 12.1046 12.1743 12.1743 k =-0.0701 0.1603 0.1749 ( 8685 PWs) bands (ev): -68.3407 -68.3407 -68.3230 -68.3230 -38.1244 -38.1244 -38.0741 -38.0741 -36.9695 -36.9695 -36.8828 -36.8828 -36.8613 -36.8613 -36.8494 -36.8494 -17.7976 -17.7976 -4.3834 -4.3834 -2.5301 -2.5301 -2.2899 -2.2899 -0.7372 -0.7372 0.5561 0.5561 5.6203 5.6203 6.9815 6.9815 7.1233 7.1233 7.2275 7.2275 7.5903 7.5903 7.8450 7.8450 8.3978 8.3978 9.5328 9.5328 9.7762 9.7762 10.3386 10.3386 10.4107 10.4107 10.4546 10.4546 10.8033 10.8033 11.3013 11.3013 12.1465 12.1465 12.1743 12.1743 k =-0.0637 0.1457 0.1590 ( 8683 PWs) bands (ev): -68.3404 -68.3404 -68.3231 -68.3231 -38.1249 -38.1249 -38.0736 -38.0736 -36.9702 -36.9702 -36.8820 -36.8820 -36.8614 -36.8614 -36.8493 -36.8493 -17.7991 -17.7991 -4.3789 -4.3789 -2.5228 -2.5228 -2.2815 -2.2815 -0.7672 -0.7672 0.5653 0.5653 5.5887 5.5887 7.0188 7.0188 7.1166 7.1166 7.2267 7.2267 7.6313 7.6313 7.8480 7.8480 8.3779 8.3779 9.5262 9.5262 9.7820 9.7820 10.3645 10.3645 10.4308 10.4308 10.4744 10.4744 10.8122 10.8122 11.3004 11.3004 12.1699 12.1699 12.1878 12.1878 k =-0.0573 0.1311 0.1431 ( 8679 PWs) bands (ev): -68.3406 -68.3406 -68.3225 -68.3225 -38.1253 -38.1253 -38.0732 -38.0732 -36.9709 -36.9709 -36.8813 -36.8813 -36.8615 -36.8615 -36.8491 -36.8491 -17.8005 -17.8005 -4.3749 -4.3749 -2.5170 -2.5170 -2.2721 -2.2721 -0.7952 -0.7952 0.5735 0.5735 5.5590 5.5590 7.0527 7.0527 7.1113 7.1113 7.2268 7.2268 7.6705 7.6705 7.8508 7.8508 8.3620 8.3620 9.5170 9.5170 9.7874 9.7874 10.3890 10.3890 10.4486 10.4486 10.4921 10.4921 10.8178 10.8178 11.3041 11.3041 12.1646 12.1646 12.2071 12.2071 k =-0.0510 0.1166 0.1272 ( 8681 PWs) bands (ev): -68.3412 -68.3412 -68.3222 -68.3222 -38.1256 -38.1256 -38.0729 -38.0729 -36.9715 -36.9715 -36.8806 -36.8806 -36.8615 -36.8615 -36.8490 -36.8490 -17.8018 -17.8018 -4.3712 -4.3712 -2.5125 -2.5125 -2.2621 -2.2621 -0.8211 -0.8211 0.5808 0.5808 5.5318 5.5318 7.0778 7.0778 7.1123 7.1123 7.2275 7.2275 7.7068 7.7068 7.8529 7.8529 8.3471 8.3471 9.5080 9.5080 9.7891 9.7891 10.4101 10.4101 10.4637 10.4637 10.5067 10.5067 10.8206 10.8206 11.3066 11.3066 12.1560 12.1560 12.2132 12.2132 k =-0.0446 0.1020 0.1113 ( 8679 PWs) bands (ev): -68.3410 -68.3410 -68.3220 -68.3220 -38.1260 -38.1260 -38.0725 -38.0725 -36.9720 -36.9720 -36.8800 -36.8800 -36.8616 -36.8616 -36.8489 -36.8489 -17.8030 -17.8030 -4.3681 -4.3681 -2.5091 -2.5091 -2.2518 -2.2518 -0.8446 -0.8446 0.5873 0.5873 5.5075 5.5075 7.0838 7.0838 7.1295 7.1295 7.2277 7.2277 7.7405 7.7405 7.8549 7.8549 8.3359 8.3359 9.5002 9.5002 9.7914 9.7914 10.4344 10.4344 10.4773 10.4773 10.5209 10.5209 10.8211 10.8211 11.3069 11.3069 12.1458 12.1458 12.2276 12.2276 k =-0.0382 0.0874 0.0954 ( 8683 PWs) bands (ev): -68.3420 -68.3420 -68.3215 -68.3215 -38.1262 -38.1262 -38.0723 -38.0723 -36.9725 -36.9725 -36.8795 -36.8795 -36.8617 -36.8617 -36.8489 -36.8489 -17.8040 -17.8040 -4.3653 -4.3653 -2.5066 -2.5066 -2.2417 -2.2417 -0.8656 -0.8656 0.5930 0.5930 5.4861 5.4861 7.0816 7.0816 7.1534 7.1534 7.2278 7.2278 7.7705 7.7705 7.8565 7.8565 8.3198 8.3198 9.4915 9.4915 9.7937 9.7937 10.4547 10.4547 10.4870 10.4870 10.5317 10.5317 10.8192 10.8192 11.3104 11.3104 12.1348 12.1348 12.2509 12.2509 k =-0.0318 0.0729 0.0795 ( 8673 PWs) bands (ev): -68.3410 -68.3410 -68.3214 -68.3214 -38.1265 -38.1265 -38.0720 -38.0720 -36.9729 -36.9729 -36.8791 -36.8791 -36.8617 -36.8617 -36.8488 -36.8488 -17.8049 -17.8049 -4.3630 -4.3630 -2.5049 -2.5049 -2.2324 -2.2324 -0.8837 -0.8837 0.5977 0.5977 5.4679 5.4679 7.0778 7.0778 7.1751 7.1751 7.2295 7.2295 7.7972 7.7972 7.8582 7.8582 8.3151 8.3151 9.4871 9.4871 9.7932 9.7932 10.4773 10.4773 10.4993 10.4993 10.5444 10.5444 10.8184 10.8184 11.3082 11.3082 12.1233 12.1233 12.2800 12.2800 k =-0.0255 0.0583 0.0636 ( 8677 PWs) bands (ev): -68.3410 -68.3410 -68.3218 -68.3218 -38.1267 -38.1267 -38.0718 -38.0718 -36.9732 -36.9732 -36.8787 -36.8787 -36.8617 -36.8617 -36.8487 -36.8487 -17.8056 -17.8056 -4.3611 -4.3611 -2.5037 -2.5037 -2.2241 -2.2241 -0.8988 -0.8988 0.6016 0.6016 5.4528 5.4528 7.0728 7.0728 7.1925 7.1925 7.2304 7.2304 7.8191 7.8191 7.8595 7.8595 8.3073 8.3073 9.4821 9.4821 9.7920 9.7920 10.4934 10.4934 10.5075 10.5075 10.5536 10.5536 10.8159 10.8159 11.3074 11.3074 12.1111 12.1111 12.3124 12.3124 k =-0.0191 0.0437 0.0477 ( 8687 PWs) bands (ev): -68.3413 -68.3413 -68.3226 -68.3226 -38.1269 -38.1269 -38.0717 -38.0717 -36.9735 -36.9735 -36.8784 -36.8784 -36.8618 -36.8618 -36.8487 -36.8487 -17.8061 -17.8061 -4.3597 -4.3597 -2.5028 -2.5028 -2.2173 -2.2173 -0.9108 -0.9108 0.6045 0.6045 5.4409 5.4409 7.0679 7.0679 7.2043 7.2043 7.2317 7.2317 7.8366 7.8366 7.8606 7.8606 8.3015 8.3015 9.4769 9.4769 9.7909 9.7909 10.5044 10.5044 10.5142 10.5142 10.5608 10.5608 10.8122 10.8122 11.3024 11.3024 12.1000 12.1000 12.3438 12.3438 k =-0.0127 0.0291 0.0318 ( 8683 PWs) bands (ev): -68.3413 -68.3413 -68.3221 -68.3221 -38.1270 -38.1270 -38.0715 -38.0715 -36.9737 -36.9737 -36.8782 -36.8782 -36.8618 -36.8618 -36.8487 -36.8487 -17.8066 -17.8066 -4.3586 -4.3586 -2.5023 -2.5023 -2.2123 -2.2123 -0.9195 -0.9195 0.6067 0.6067 5.4320 5.4320 7.0661 7.0661 7.2136 7.2136 7.2345 7.2345 7.8483 7.8483 7.8624 7.8624 8.2984 8.2984 9.4714 9.4714 9.7909 9.7909 10.5111 10.5111 10.5222 10.5222 10.5680 10.5680 10.8106 10.8106 11.3056 11.3056 12.0926 12.0926 12.3748 12.3748 k =-0.0064 0.0146 0.0159 ( 8691 PWs) bands (ev): -68.3414 -68.3414 -68.3230 -68.3230 -38.1270 -38.1270 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8068 -17.8068 -4.3580 -4.3580 -2.5021 -2.5021 -2.2091 -2.2091 -0.9248 -0.9248 0.6080 0.6080 5.4265 5.4265 7.0645 7.0645 7.2174 7.2174 7.2366 7.2366 7.8546 7.8546 7.8651 7.8651 8.2965 8.2965 9.4658 9.4658 9.7880 9.7880 10.5134 10.5134 10.5298 10.5298 10.5743 10.5743 10.8087 10.8087 11.2940 11.2940 12.0875 12.0875 12.3929 12.3929 k = 0.0000 0.0000 0.0000 ( 8699 PWs) bands (ev): -68.3414 -68.3414 -68.3239 -68.3239 -38.1271 -38.1271 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8069 -17.8069 -4.3578 -4.3578 -2.5020 -2.5020 -2.2081 -2.2081 -0.9266 -0.9266 0.6084 0.6084 5.4251 5.4251 7.0635 7.0635 7.2184 7.2184 7.2376 7.2376 7.8562 7.8562 7.8664 7.8664 8.2954 8.2954 9.4663 9.4663 9.7845 9.7845 10.5120 10.5120 10.5324 10.5324 10.5762 10.5762 10.8070 10.8070 11.2827 11.2827 12.0855 12.0855 12.3985 12.3985 k = 0.0000 0.0000 0.0000 ( 8699 PWs) bands (ev): -68.3414 -68.3414 -68.3239 -68.3239 -38.1271 -38.1271 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8069 -17.8069 -4.3578 -4.3578 -2.5020 -2.5020 -2.2081 -2.2081 -0.9266 -0.9266 0.6084 0.6084 5.4251 5.4251 7.0635 7.0635 7.2184 7.2184 7.2376 7.2376 7.8562 7.8562 7.8664 7.8664 8.2954 8.2954 9.4663 9.4663 9.7845 9.7845 10.5120 10.5120 10.5324 10.5324 10.5762 10.5762 10.8070 10.8070 11.2827 11.2827 12.0855 12.0855 12.3985 12.3985 k = 0.0200 0.0087 0.0000 ( 8699 PWs) bands (ev): -68.3410 -68.3410 -68.3243 -68.3243 -38.1271 -38.1271 -38.0714 -38.0714 -36.9739 -36.9739 -36.8781 -36.8781 -36.8619 -36.8619 -36.8486 -36.8486 -17.8069 -17.8069 -4.3579 -4.3579 -2.5025 -2.5025 -2.2081 -2.2081 -0.9248 -0.9248 0.6068 0.6068 5.4277 5.4277 7.0622 7.0622 7.2177 7.2177 7.2368 7.2368 7.8570 7.8570 7.8673 7.8673 8.2953 8.2953 9.4700 9.4700 9.7765 9.7765 10.5133 10.5133 10.5337 10.5337 10.5777 10.5777 10.8096 10.8096 11.2827 11.2827 12.0730 12.0730 12.3980 12.3980 k = 0.0400 0.0175 0.0000 ( 8707 PWs) bands (ev): -68.3418 -68.3418 -68.3243 -68.3243 -38.1271 -38.1271 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8619 -36.8619 -36.8486 -36.8486 -17.8069 -17.8069 -4.3581 -4.3581 -2.5039 -2.5039 -2.2081 -2.2081 -0.9197 -0.9197 0.6023 0.6023 5.4334 5.4334 7.0582 7.0582 7.2157 7.2157 7.2346 7.2346 7.8583 7.8583 7.8691 7.8691 8.2922 8.2922 9.4672 9.4672 9.7688 9.7688 10.5194 10.5194 10.5302 10.5302 10.5767 10.5767 10.8189 10.8189 11.2828 11.2828 12.0370 12.0370 12.3967 12.3967 k = 0.0600 0.0262 0.0000 ( 8699 PWs) bands (ev): -68.3419 -68.3419 -68.3234 -68.3234 -38.1271 -38.1271 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8069 -17.8069 -4.3584 -4.3584 -2.5062 -2.5062 -2.2080 -2.2080 -0.9112 -0.9112 0.5948 0.5948 5.4437 5.4437 7.0521 7.0521 7.2141 7.2141 7.2328 7.2328 7.8615 7.8615 7.8730 7.8730 8.2922 8.2922 9.4673 9.4673 9.7592 9.7592 10.5242 10.5242 10.5330 10.5330 10.5811 10.5811 10.8317 10.8317 11.2829 11.2829 11.9814 11.9814 12.3976 12.3976 k = 0.0800 0.0350 0.0000 ( 8687 PWs) bands (ev): -68.3419 -68.3419 -68.3221 -68.3221 -38.1270 -38.1270 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8069 -17.8069 -4.3589 -4.3589 -2.5094 -2.5094 -2.2080 -2.2080 -0.8994 -0.8994 0.5844 0.5844 5.4580 5.4580 7.0432 7.0432 7.2095 7.2095 7.2277 7.2277 7.8660 7.8660 7.8783 7.8783 8.2922 8.2922 9.4675 9.4675 9.7523 9.7523 10.5301 10.5301 10.5370 10.5370 10.5870 10.5870 10.8502 10.8502 11.2945 11.2945 11.9101 11.9101 12.3944 12.3944 k = 0.1000 0.0437 0.0000 ( 8675 PWs) bands (ev): -68.3419 -68.3419 -68.3208 -68.3208 -38.1270 -38.1270 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8617 -36.8617 -36.8486 -36.8486 -17.8069 -17.8069 -4.3596 -4.3596 -2.5134 -2.5134 -2.2080 -2.2080 -0.8843 -0.8843 0.5711 0.5711 5.4763 5.4763 7.0308 7.0308 7.2050 7.2050 7.2228 7.2228 7.8715 7.8715 7.8848 7.8848 8.2923 8.2923 9.4679 9.4679 9.7405 9.7405 10.5366 10.5366 10.5421 10.5421 10.5940 10.5940 10.8745 10.8745 11.3021 11.3021 11.8266 11.8266 12.3926 12.3926 k = 0.1200 0.0525 0.0000 ( 8679 PWs) bands (ev): -68.3423 -68.3423 -68.3208 -68.3208 -38.1270 -38.1270 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8617 -36.8617 -36.8487 -36.8487 -17.8068 -17.8068 -4.3603 -4.3603 -2.5181 -2.5181 -2.2080 -2.2080 -0.8662 -0.8662 0.5550 0.5550 5.4981 5.4981 7.0170 7.0170 7.1986 7.1986 7.2156 7.2156 7.8775 7.8775 7.8921 7.8921 8.2925 8.2925 9.4682 9.4682 9.7179 9.7179 10.5413 10.5413 10.5459 10.5459 10.5996 10.5996 10.9031 10.9031 11.3020 11.3020 11.7353 11.7353 12.3880 12.3880 k = 0.1400 0.0612 0.0000 ( 8671 PWs) bands (ev): -68.3414 -68.3414 -68.3208 -68.3208 -38.1270 -38.1270 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8617 -36.8617 -36.8486 -36.8486 -17.8068 -17.8068 -4.3611 -4.3611 -2.5234 -2.5234 -2.2079 -2.2079 -0.8451 -0.8451 0.5362 0.5362 5.5238 5.5238 7.0011 7.0011 7.1914 7.1914 7.2076 7.2076 7.8854 7.8854 7.9014 7.9014 8.2941 8.2941 9.4698 9.4698 9.6935 9.6935 10.5493 10.5493 10.5579 10.5579 10.6111 10.6111 10.9367 10.9367 11.3018 11.3018 11.6385 11.6385 12.3826 12.3826 k = 0.1600 0.0699 0.0000 ( 8675 PWs) bands (ev): -68.3428 -68.3428 -68.3199 -68.3199 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8617 -36.8617 -36.8487 -36.8487 -17.8068 -17.8068 -4.3621 -4.3621 -2.5291 -2.5291 -2.2079 -2.2079 -0.8214 -0.8214 0.5150 0.5150 5.5527 5.5527 6.9856 6.9856 7.1846 7.1846 7.2000 7.2000 7.8927 7.8927 7.9101 7.9101 8.2884 8.2884 9.4695 9.4695 9.6693 9.6693 10.5509 10.5509 10.5621 10.5621 10.6156 10.6156 10.9739 10.9739 11.3018 11.3018 11.5391 11.5391 12.3782 12.3782 k = 0.1800 0.0787 0.0000 ( 8679 PWs) bands (ev): -68.3432 -68.3432 -68.3199 -68.3199 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8617 -36.8617 -36.8487 -36.8487 -17.8068 -17.8068 -4.3631 -4.3631 -2.5352 -2.5352 -2.2079 -2.2079 -0.7950 -0.7950 0.4911 0.4911 5.5844 5.5844 6.9658 6.9658 7.1764 7.1764 7.1910 7.1910 7.9005 7.9005 7.9194 7.9194 8.2881 8.2881 9.4701 9.4701 9.6436 9.6436 10.5557 10.5557 10.5681 10.5681 10.6221 10.6221 11.0146 11.0146 11.3009 11.3009 11.4374 11.4374 12.3714 12.3714 k = 0.2000 0.0874 0.0000 ( 8687 PWs) bands (ev): -68.3441 -68.3441 -68.3199 -68.3199 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8617 -36.8617 -36.8487 -36.8487 -17.8068 -17.8068 -4.3642 -4.3642 -2.5416 -2.5416 -2.2078 -2.2078 -0.7662 -0.7662 0.4650 0.4650 5.6178 5.6178 6.9439 6.9439 7.1681 7.1681 7.1817 7.1817 7.9088 7.9088 7.9292 7.9292 8.2882 8.2882 9.4648 9.4648 9.6181 9.6181 10.5605 10.5605 10.5759 10.5759 10.6299 10.6299 11.0578 11.0578 11.2951 11.2951 11.3389 11.3389 12.3639 12.3639 k = 0.2200 0.0962 0.0000 ( 8695 PWs) bands (ev): -68.3441 -68.3441 -68.3208 -68.3208 -38.1270 -38.1270 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8617 -36.8617 -36.8487 -36.8487 -17.8068 -17.8068 -4.3653 -4.3653 -2.5481 -2.5481 -2.2078 -2.2078 -0.7352 -0.7352 0.4366 0.4366 5.6545 5.6545 6.9200 6.9200 7.1579 7.1579 7.1705 7.1705 7.9174 7.9174 7.9393 7.9393 8.2884 8.2884 9.4658 9.4658 9.5929 9.5929 10.5653 10.5653 10.5858 10.5858 10.6392 10.6392 11.1026 11.1026 11.2243 11.2243 11.3049 11.3049 12.3529 12.3529 k = 0.2400 0.1049 0.0000 ( 8691 PWs) bands (ev): -68.3437 -68.3437 -68.3207 -68.3207 -38.1270 -38.1270 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8617 -36.8617 -36.8487 -36.8487 -17.8068 -17.8068 -4.3665 -4.3665 -2.5547 -2.5547 -2.2077 -2.2077 -0.7021 -0.7021 0.4063 0.4063 5.6933 5.6933 6.8960 6.8960 7.1495 7.1495 7.1611 7.1611 7.9262 7.9262 7.9497 7.9497 8.2916 8.2916 9.4674 9.4674 9.5686 9.5686 10.5697 10.5697 10.5975 10.5975 10.6502 10.6502 11.1262 11.1262 11.1483 11.1483 11.3027 11.3027 12.3443 12.3443 k = 0.2600 0.1137 0.0000 ( 8699 PWs) bands (ev): -68.3428 -68.3428 -68.3225 -68.3225 -38.1271 -38.1271 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8618 -36.8618 -36.8487 -36.8487 -17.8067 -17.8067 -4.3676 -4.3676 -2.5612 -2.5612 -2.2077 -2.2077 -0.6672 -0.6672 0.3741 0.3741 5.7338 5.7338 6.8709 6.8709 7.1389 7.1389 7.1495 7.1495 7.9347 7.9347 7.9596 7.9596 8.2958 8.2958 9.4706 9.4706 9.5376 9.5376 10.5786 10.5786 10.6083 10.6083 10.6616 10.6616 11.0305 11.0305 11.1901 11.1901 11.3016 11.3016 12.3310 12.3310 k = 0.2800 0.1224 0.0000 ( 8687 PWs) bands (ev): -68.3432 -68.3432 -68.3207 -68.3207 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8618 -36.8618 -36.8487 -36.8487 -17.8067 -17.8067 -4.3688 -4.3688 -2.5675 -2.5675 -2.2077 -2.2077 -0.6307 -0.6307 0.3403 0.3403 5.7761 5.7761 6.8465 6.8465 7.1346 7.1346 7.1444 7.1444 7.9423 7.9423 7.9686 7.9686 8.2930 8.2930 9.4750 9.4750 9.5160 9.5160 10.5809 10.5809 10.6145 10.6145 10.6683 10.6683 10.9399 10.9399 11.2352 11.2352 11.3045 11.3045 12.3286 12.3286 k = 0.3000 0.1311 0.0000 ( 8687 PWs) bands (ev): -68.3423 -68.3423 -68.3217 -68.3217 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8618 -36.8618 -36.8487 -36.8487 -17.8067 -17.8067 -4.3699 -4.3699 -2.5736 -2.5736 -2.2076 -2.2076 -0.5928 -0.5928 0.3049 0.3049 5.8188 5.8188 6.8205 6.8205 7.1250 7.1250 7.1339 7.1339 7.9508 7.9508 7.9784 7.9784 8.2935 8.2935 9.4775 9.4775 9.4953 9.4953 10.5851 10.5851 10.6285 10.6285 10.6828 10.6828 10.8535 10.8535 11.2787 11.2787 11.3008 11.3008 12.3157 12.3157 k = 0.3200 0.1399 0.0000 ( 8703 PWs) bands (ev): -68.3432 -68.3432 -68.3226 -68.3226 -38.1271 -38.1271 -38.0715 -38.0715 -36.9739 -36.9739 -36.8781 -36.8781 -36.8618 -36.8618 -36.8487 -36.8487 -17.8067 -17.8067 -4.3710 -4.3710 -2.5793 -2.5793 -2.2076 -2.2076 -0.5539 -0.5539 0.2682 0.2682 5.8613 5.8613 6.7940 6.7940 7.1176 7.1176 7.1256 7.1256 7.9575 7.9575 7.9863 7.9863 8.2934 8.2934 9.4694 9.4694 9.4786 9.4786 10.5820 10.5820 10.6323 10.6323 10.6890 10.6890 10.7732 10.7732 11.3002 11.3002 11.3158 11.3158 12.3058 12.3058 k = 0.3400 0.1486 0.0000 ( 8675 PWs) bands (ev): -68.3414 -68.3414 -68.3213 -68.3213 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8067 -17.8067 -4.3720 -4.3720 -2.5846 -2.5846 -2.2075 -2.2075 -0.5139 -0.5139 0.2306 0.2306 5.9048 5.9048 6.7698 6.7698 7.1122 7.1122 7.1195 7.1195 7.9656 7.9656 7.9956 7.9956 8.2945 8.2945 9.4537 9.4537 9.4828 9.4828 10.5865 10.5865 10.6400 10.6400 10.7071 10.7071 10.7107 10.7107 11.3034 11.3034 11.3559 11.3559 12.2990 12.2990 k = 0.3600 0.1574 0.0000 ( 8671 PWs) bands (ev): -68.3419 -68.3419 -68.3205 -68.3205 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8067 -17.8067 -4.3729 -4.3729 -2.5894 -2.5894 -2.2075 -2.2075 -0.4735 -0.4735 0.1921 0.1921 5.9459 5.9459 6.7435 6.7435 7.1078 7.1078 7.1145 7.1145 7.9714 7.9714 8.0025 8.0025 8.2946 8.2946 9.4383 9.4383 9.4835 9.4835 10.5873 10.5873 10.6063 10.6063 10.6818 10.6818 10.7149 10.7149 11.3054 11.3054 11.3922 11.3922 12.2935 12.2935 k = 0.3800 0.1661 0.0000 ( 8671 PWs) bands (ev): -68.3419 -68.3419 -68.3205 -68.3205 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8067 -17.8067 -4.3738 -4.3738 -2.5937 -2.5937 -2.2075 -2.2075 -0.4328 -0.4328 0.1531 0.1531 5.9851 5.9851 6.7178 6.7178 7.1024 7.1024 7.1085 7.1085 7.9769 7.9769 8.0088 8.0088 8.2947 8.2947 9.4248 9.4248 9.4846 9.4846 10.5524 10.5524 10.5886 10.5886 10.6824 10.6824 10.7238 10.7238 11.3052 11.3052 11.4250 11.4250 12.2853 12.2853 k = 0.4000 0.1748 0.0000 ( 8667 PWs) bands (ev): -68.3419 -68.3419 -68.3201 -68.3201 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8066 -17.8066 -4.3745 -4.3745 -2.5974 -2.5974 -2.2074 -2.2074 -0.3925 -0.3925 0.1143 0.1143 6.0216 6.0216 6.6935 6.6935 7.0980 7.0980 7.1036 7.1036 7.9816 7.9816 8.0143 8.0143 8.2949 8.2949 9.4161 9.4161 9.4856 9.4856 10.5013 10.5013 10.5897 10.5897 10.6878 10.6878 10.7319 10.7319 11.3051 11.3051 11.4561 11.4561 12.2785 12.2785 k = 0.4200 0.1836 0.0000 ( 8671 PWs) bands (ev): -68.3423 -68.3423 -68.3202 -68.3202 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8066 -17.8066 -4.3752 -4.3752 -2.6005 -2.6005 -2.2074 -2.2074 -0.3532 -0.3532 0.0762 0.0762 6.0544 6.0544 6.6725 6.6725 7.0941 7.0941 7.0993 7.0993 7.9853 7.9853 8.0186 8.0186 8.2899 8.2899 9.4065 9.4065 9.4869 9.4869 10.4600 10.4600 10.5878 10.5878 10.6919 10.6919 10.7371 10.7371 11.3049 11.3049 11.4804 11.4804 12.2722 12.2722 k = 0.4400 0.1923 0.0000 ( 8664 PWs) bands (ev): -68.3415 -68.3415 -68.3202 -68.3202 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8066 -17.8066 -4.3757 -4.3757 -2.6029 -2.6029 -2.2074 -2.2074 -0.3162 -0.3162 0.0403 0.0403 6.0818 6.0818 6.6532 6.6532 7.0911 7.0911 7.0959 7.0959 7.9891 7.9891 8.0230 8.0230 8.2906 8.2906 9.3990 9.3990 9.4874 9.4874 10.4244 10.4244 10.5917 10.5917 10.7014 10.7014 10.7475 10.7475 11.3048 11.3048 11.4997 11.4997 12.2672 12.2672 k = 0.4600 0.2011 0.0000 ( 8672 PWs) bands (ev): -68.3424 -68.3424 -68.3202 -68.3202 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8781 -36.8781 -36.8618 -36.8618 -36.8486 -36.8486 -17.8066 -17.8066 -4.3760 -4.3760 -2.6047 -2.6047 -2.2074 -2.2074 -0.2840 -0.2840 0.0088 0.0088 6.1029 6.1029 6.6383 6.6383 7.0889 7.0889 7.0935 7.0935 7.9908 7.9908 8.0250 8.0250 8.2889 8.2889 9.3937 9.3937 9.4879 9.4879 10.3988 10.3988 10.5875 10.5875 10.7016 10.7016 10.7480 10.7480 11.3048 11.3048 11.5138 11.5138 12.2634 12.2635 k = 0.4800 0.2098 0.0000 ( 8688 PWs) bands (ev): -68.3433 -68.3433 -68.3211 -68.3211 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8782 -36.8782 -36.8618 -36.8618 -36.8487 -36.8487 -17.8066 -17.8066 -4.3762 -4.3762 -2.6058 -2.6058 -2.2074 -2.2074 -0.2606 -0.2606 -0.0143 -0.0143 6.1159 6.1159 6.6284 6.6284 7.0857 7.0857 7.0901 7.0901 7.9913 7.9913 8.0257 8.0257 8.2878 8.2878 9.3899 9.3899 9.4879 9.4879 10.3830 10.3830 10.5862 10.5862 10.6990 10.6990 10.7458 10.7458 11.3040 11.3040 11.5217 11.5217 12.2576 12.2576 k = 0.5000 0.2186 0.0000 ( 8696 PWs) bands (ev): -68.3442 -68.3442 -68.3211 -68.3211 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8782 -36.8782 -36.8618 -36.8618 -36.8487 -36.8487 -17.8066 -17.8066 -4.3763 -4.3763 -2.6061 -2.6061 -2.2074 -2.2074 -0.2518 -0.2518 -0.0230 -0.0230 6.1205 6.1205 6.6236 6.6236 7.0853 7.0853 7.0897 7.0897 7.9912 7.9912 8.0257 8.0257 8.2877 8.2877 9.3888 9.3888 9.4880 9.4880 10.3739 10.3739 10.5857 10.5857 10.6963 10.6963 10.7434 10.7434 11.3040 11.3040 11.5245 11.5245 12.2567 12.2567 k = 0.5000 0.2186 0.0000 ( 8696 PWs) bands (ev): -68.3442 -68.3442 -68.3211 -68.3211 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8782 -36.8782 -36.8618 -36.8618 -36.8487 -36.8487 -17.8066 -17.8066 -4.3763 -4.3763 -2.6061 -2.6061 -2.2074 -2.2074 -0.2518 -0.2518 -0.0230 -0.0230 6.1205 6.1205 6.6236 6.6236 7.0853 7.0853 7.0897 7.0897 7.9912 7.9912 8.0257 8.0257 8.2877 8.2877 9.3888 9.3888 9.4880 9.4880 10.3739 10.3739 10.5857 10.5857 10.6963 10.6963 10.7434 10.7434 11.3040 11.3040 11.5245 11.5245 12.2567 12.2570 k = 0.4937 0.2329 0.0157 ( 8696 PWs) bands (ev): -68.3442 -68.3442 -68.3211 -68.3211 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8782 -36.8782 -36.8618 -36.8618 -36.8487 -36.8487 -17.8065 -17.8065 -4.3765 -4.3765 -2.6060 -2.6060 -2.2083 -2.2083 -0.2517 -0.2517 -0.0218 -0.0218 6.1212 6.1212 6.6222 6.6222 7.0860 7.0860 7.0905 7.0905 7.9889 7.9889 8.0235 8.0235 8.2885 8.2885 9.3908 9.3908 9.4879 9.4879 10.3735 10.3735 10.5847 10.5847 10.6956 10.6956 10.7423 10.7423 11.3047 11.3047 11.5264 11.5264 12.2535 12.2535 k = 0.4874 0.2473 0.0314 ( 8684 PWs) bands (ev): -68.3428 -68.3428 -68.3211 -68.3211 -38.1269 -38.1269 -38.0716 -38.0716 -36.9737 -36.9737 -36.8783 -36.8783 -36.8618 -36.8618 -36.8487 -36.8487 -17.8063 -17.8063 -4.3769 -4.3769 -2.6058 -2.6058 -2.2109 -2.2109 -0.2514 -0.2514 -0.0182 -0.0182 6.1233 6.1233 6.6189 6.6189 7.0879 7.0879 7.0932 7.0932 7.9828 7.9828 8.0186 8.0186 8.2926 8.2926 9.3969 9.3969 9.4875 9.4875 10.3744 10.3744 10.5836 10.5836 10.6989 10.6989 10.7465 10.7465 11.3070 11.3070 11.5321 11.5321 12.2435 12.2435 k = 0.4812 0.2617 0.0470 ( 8676 PWs) bands (ev): -68.3419 -68.3419 -68.3212 -68.3212 -38.1268 -38.1268 -38.0717 -38.0717 -36.9735 -36.9735 -36.8785 -36.8785 -36.8617 -36.8617 -36.8487 -36.8487 -17.8059 -17.8059 -4.3777 -4.3777 -2.6055 -2.6055 -2.2152 -2.2152 -0.2509 -0.2509 -0.0123 -0.0123 6.1263 6.1263 6.6125 6.6125 7.0906 7.0906 7.0992 7.0992 7.9692 7.9692 8.0116 8.0116 8.2992 8.2992 9.4057 9.4057 9.4871 9.4871 10.3736 10.3736 10.5808 10.5808 10.6984 10.6984 10.7448 10.7448 11.3093 11.3093 11.5414 11.5414 12.2296 12.2296 k = 0.4749 0.2760 0.0627 ( 8680 PWs) bands (ev): -68.3423 -68.3423 -68.3212 -68.3212 -38.1267 -38.1267 -38.0718 -38.0718 -36.9732 -36.9732 -36.8788 -36.8788 -36.8617 -36.8617 -36.8487 -36.8487 -17.8054 -17.8054 -4.3788 -4.3788 -2.6052 -2.6052 -2.2211 -2.2211 -0.2503 -0.2503 -0.0041 -0.0041 6.1310 6.1310 6.6032 6.6032 7.0936 7.0936 7.1064 7.1064 7.9469 7.9469 8.0034 8.0034 8.3038 8.3038 9.4169 9.4169 9.4881 9.4881 10.3709 10.3709 10.5723 10.5723 10.6905 10.6905 10.7362 10.7362 11.3141 11.3141 11.5545 11.5545 12.2080 12.2080 k = 0.4686 0.2904 0.0784 ( 8670 PWs) bands (ev): -68.3414 -68.3414 -68.3210 -68.3210 -38.1265 -38.1265 -38.0720 -38.0720 -36.9729 -36.9729 -36.8791 -36.8791 -36.8617 -36.8617 -36.8488 -36.8488 -17.8047 -17.8047 -4.3803 -4.3803 -2.6048 -2.6048 -2.2283 -2.2283 -0.2494 -0.2494 0.0062 0.0062 6.1370 6.1370 6.5926 6.5926 7.0973 7.0973 7.1155 7.1155 7.9184 7.9184 7.9960 7.9960 8.3111 8.3111 9.4283 9.4283 9.4920 9.4920 10.3698 10.3698 10.5662 10.5662 10.6867 10.6867 10.7325 10.7325 11.3226 11.3226 11.5716 11.5716 12.1819 12.1819 k = 0.4623 0.3048 0.0941 ( 8676 PWs) bands (ev): -68.3413 -68.3413 -68.3218 -68.3218 -38.1263 -38.1263 -38.0722 -38.0722 -36.9725 -36.9725 -36.8795 -36.8795 -36.8616 -36.8616 -36.8488 -36.8488 -17.8038 -17.8038 -4.3821 -4.3821 -2.6045 -2.6045 -2.2367 -2.2367 -0.2482 -0.2482 0.0183 0.0183 6.1436 6.1436 6.5793 6.5793 7.1016 7.1016 7.1252 7.1252 7.8837 7.8837 7.9869 7.9869 8.3188 8.3188 9.4345 9.4345 9.5013 9.5013 10.3654 10.3654 10.5555 10.5555 10.6754 10.6754 10.7274 10.7274 11.3234 11.3234 11.5915 11.5915 12.1505 12.1505 k = 0.4560 0.3191 0.1098 ( 8674 PWs) bands (ev): -68.3407 -68.3407 -68.3221 -68.3221 -38.1260 -38.1260 -38.0725 -38.0725 -36.9721 -36.9721 -36.8800 -36.8800 -36.8616 -36.8616 -36.8489 -36.8489 -17.8028 -17.8028 -4.3842 -4.3842 -2.6043 -2.6043 -2.2461 -2.2461 -0.2467 -0.2467 0.0323 0.0323 6.1512 6.1512 6.5643 6.5643 7.1080 7.1080 7.1359 7.1359 7.8446 7.8446 7.9769 7.9769 8.3281 8.3281 9.4368 9.4368 9.5176 9.5176 10.3600 10.3600 10.5457 10.5457 10.6612 10.6612 10.7279 10.7279 11.3269 11.3269 11.6156 11.6156 12.1157 12.1157 k = 0.4498 0.3335 0.1255 ( 8668 PWs) bands (ev): -68.3400 -68.3400 -68.3222 -68.3222 -38.1257 -38.1257 -38.0728 -38.0728 -36.9716 -36.9716 -36.8805 -36.8805 -36.8615 -36.8615 -36.8490 -36.8490 -17.8017 -17.8017 -4.3867 -4.3867 -2.6044 -2.6044 -2.2561 -2.2561 -0.2448 -0.2448 0.0477 0.0477 6.1586 6.1586 6.5481 6.5481 7.1140 7.1140 7.1484 7.1484 7.8012 7.8012 7.9659 7.9659 8.3407 8.3407 9.4336 9.4336 9.5399 9.5399 10.3551 10.3551 10.5368 10.5368 10.6444 10.6444 10.7285 10.7285 11.3390 11.3390 11.6433 11.6433 12.0804 12.0804 k = 0.4435 0.3479 0.1411 ( 8668 PWs) bands (ev): -68.3403 -68.3403 -68.3218 -68.3218 -38.1253 -38.1253 -38.0732 -38.0732 -36.9709 -36.9709 -36.8812 -36.8812 -36.8615 -36.8615 -36.8491 -36.8491 -17.8005 -17.8005 -4.3896 -4.3896 -2.6050 -2.6050 -2.2665 -2.2665 -0.2425 -0.2425 0.0645 0.0645 6.1669 6.1669 6.5311 6.5311 7.1203 7.1203 7.1636 7.1636 7.7543 7.7543 7.9536 7.9536 8.3522 8.3522 9.4280 9.4280 9.5647 9.5647 10.3477 10.3477 10.5173 10.5173 10.6245 10.6245 10.7287 10.7287 11.3499 11.3499 11.6736 11.6736 12.0480 12.0480 k = 0.4372 0.3623 0.1568 ( 8664 PWs) bands (ev): -68.3401 -68.3401 -68.3215 -68.3215 -38.1249 -38.1249 -38.0736 -38.0736 -36.9703 -36.9703 -36.8819 -36.8819 -36.8614 -36.8614 -36.8492 -36.8492 -17.7991 -17.7991 -4.3928 -4.3928 -2.6061 -2.6061 -2.2769 -2.2769 -0.2399 -0.2399 0.0825 0.0825 6.1756 6.1756 6.5130 6.5130 7.1279 7.1279 7.1788 7.1788 7.7054 7.7054 7.9404 7.9404 8.3660 8.3660 9.4202 9.4202 9.5918 9.5918 10.3393 10.3393 10.5031 10.5031 10.6028 10.6028 10.7311 10.7311 11.3582 11.3582 11.7066 11.7066 12.0145 12.0145 k = 0.4309 0.3766 0.1725 ( 8662 PWs) bands (ev): -68.3389 -68.3389 -68.3226 -68.3226 -38.1245 -38.1245 -38.0740 -38.0740 -36.9696 -36.9696 -36.8827 -36.8827 -36.8613 -36.8613 -36.8493 -36.8493 -17.7976 -17.7976 -4.3965 -4.3965 -2.6079 -2.6079 -2.2870 -2.2870 -0.2367 -0.2367 0.1014 0.1014 6.1830 6.1830 6.4941 6.4941 7.1356 7.1356 7.1925 7.1925 7.6559 7.6559 7.9264 7.9264 8.3844 8.3844 9.4120 9.4120 9.6195 9.6195 10.3310 10.3310 10.4860 10.4860 10.5798 10.5798 10.7423 10.7423 11.3615 11.3615 11.7416 11.7416 11.9768 11.9768 k = 0.4246 0.3910 0.1882 ( 8659 PWs) bands (ev): -68.3387 -68.3387 -68.3224 -68.3224 -38.1240 -38.1240 -38.0745 -38.0745 -36.9688 -36.9688 -36.8835 -36.8835 -36.8612 -36.8612 -36.8494 -36.8494 -17.7960 -17.7960 -4.4005 -4.4005 -2.6106 -2.6106 -2.2964 -2.2964 -0.2332 -0.2332 0.1211 0.1211 6.1901 6.1901 6.4752 6.4752 7.1449 7.1449 7.2090 7.2090 7.6057 7.6057 7.9114 7.9114 8.4016 8.4016 9.4024 9.4024 9.6470 9.6470 10.3199 10.3199 10.4617 10.4617 10.5550 10.5550 10.7524 10.7524 11.3663 11.3663 11.7776 11.7776 11.9457 11.9457 k = 0.4183 0.4054 0.2039 ( 8657 PWs) bands (ev): -68.3390 -68.3390 -68.3219 -68.3219 -38.1234 -38.1234 -38.0750 -38.0750 -36.9679 -36.9679 -36.8845 -36.8845 -36.8611 -36.8611 -36.8496 -36.8496 -17.7943 -17.7943 -4.4049 -4.4049 -2.6143 -2.6143 -2.3049 -2.3049 -0.2293 -0.2293 0.1413 0.1413 6.1956 6.1956 6.4561 6.4561 7.1553 7.1553 7.2258 7.2258 7.5563 7.5563 7.8945 7.8945 8.4189 8.4189 9.3920 9.3920 9.6744 9.6744 10.3078 10.3078 10.4373 10.4373 10.5248 10.5248 10.7651 10.7651 11.3721 11.3721 11.8139 11.8139 11.9162 11.9162 k = 0.4121 0.4197 0.2195 ( 8665 PWs) bands (ev): -68.3393 -68.3393 -68.3226 -68.3226 -38.1229 -38.1229 -38.0756 -38.0756 -36.9670 -36.9670 -36.8855 -36.8855 -36.8610 -36.8610 -36.8498 -36.8498 -17.7925 -17.7925 -4.4097 -4.4097 -2.6191 -2.6191 -2.3121 -2.3121 -0.2250 -0.2250 0.1618 0.1618 6.1989 6.1989 6.4365 6.4365 7.1649 7.1649 7.2411 7.2411 7.5084 7.5084 7.8771 7.8771 8.4372 8.4372 9.3805 9.3805 9.6998 9.6998 10.2930 10.2930 10.4129 10.4129 10.4938 10.4938 10.7789 10.7789 11.3735 11.3735 11.8482 11.8482 11.8855 11.8855 k = 0.4058 0.4341 0.2352 ( 8659 PWs) bands (ev): -68.3388 -68.3388 -68.3223 -68.3223 -38.1223 -38.1223 -38.0762 -38.0762 -36.9660 -36.9660 -36.8865 -36.8865 -36.8609 -36.8609 -36.8499 -36.8499 -17.7907 -17.7907 -4.4149 -4.4149 -2.6251 -2.6251 -2.3178 -2.3178 -0.2202 -0.2202 0.1826 0.1826 6.1997 6.1997 6.4178 6.4178 7.1766 7.1766 7.2578 7.2578 7.4632 7.4632 7.8598 7.8598 8.4593 8.4593 9.3696 9.3696 9.7246 9.7246 10.2783 10.2783 10.3858 10.3858 10.4658 10.4658 10.7976 10.7976 11.3764 11.3764 11.8598 11.8598 11.8801 11.8801 k = 0.3995 0.4485 0.2509 ( 8663 PWs) bands (ev): -68.3390 -68.3390 -68.3225 -68.3225 -38.1217 -38.1217 -38.0768 -38.0768 -36.9649 -36.9649 -36.8877 -36.8877 -36.8607 -36.8607 -36.8501 -36.8501 -17.7888 -17.7888 -4.4205 -4.4205 -2.6322 -2.6322 -2.3220 -2.3220 -0.2151 -0.2151 0.2033 0.2033 6.1971 6.1971 6.3992 6.3992 7.1882 7.1882 7.2737 7.2737 7.4219 7.4219 7.8413 7.8413 8.4810 8.4810 9.3585 9.3585 9.7481 9.7481 10.2613 10.2613 10.3527 10.3527 10.4334 10.4334 10.8189 10.8189 11.3751 11.3751 11.8362 11.8362 11.9065 11.9065 k = 0.3932 0.4628 0.2666 ( 8667 PWs) bands (ev): -68.3386 -68.3386 -68.3234 -68.3234 -38.1210 -38.1210 -38.0775 -38.0775 -36.9638 -36.9638 -36.8888 -36.8888 -36.8606 -36.8606 -36.8503 -36.8503 -17.7868 -17.7868 -4.4265 -4.4265 -2.6405 -2.6405 -2.3246 -2.3246 -0.2094 -0.2094 0.2238 0.2238 6.1907 6.1907 6.3809 6.3809 7.1989 7.1989 7.2880 7.2880 7.3851 7.3851 7.8223 7.8223 8.5051 8.5051 9.3484 9.3484 9.7680 9.7680 10.2424 10.2424 10.3267 10.3267 10.4000 10.4000 10.8441 10.8441 11.3723 11.3723 11.8146 11.8146 11.9241 11.9241 k = 0.3869 0.4772 0.2823 ( 8671 PWs) bands (ev): -68.3383 -68.3383 -68.3241 -68.3241 -38.1203 -38.1203 -38.0782 -38.0782 -36.9627 -36.9627 -36.8901 -36.8901 -36.8605 -36.8605 -36.8505 -36.8505 -17.7849 -17.7849 -4.4328 -4.4328 -2.6497 -2.6497 -2.3257 -2.3257 -0.2034 -0.2034 0.2439 0.2439 6.1806 6.1806 6.3636 6.3636 7.2097 7.2097 7.2994 7.2994 7.3573 7.3573 7.8025 7.8025 8.5289 8.5289 9.3377 9.3377 9.7857 9.7857 10.2245 10.2245 10.2990 10.2990 10.3647 10.3647 10.8698 10.8698 11.3682 11.3682 11.7973 11.7973 11.9320 11.9320 k = 0.3807 0.4916 0.2980 ( 8675 PWs) bands (ev): -68.3385 -68.3385 -68.3244 -68.3244 -38.1196 -38.1196 -38.0789 -38.0789 -36.9615 -36.9615 -36.8914 -36.8914 -36.8604 -36.8604 -36.8507 -36.8507 -17.7828 -17.7828 -4.4394 -4.4394 -2.6597 -2.6597 -2.3252 -2.3252 -0.1970 -0.1970 0.2634 0.2634 6.1663 6.1663 6.3472 6.3472 7.2225 7.2225 7.2983 7.2983 7.3471 7.3471 7.7824 7.7824 8.5549 8.5549 9.3282 9.3282 9.8005 9.8005 10.2038 10.2038 10.2637 10.2637 10.3287 10.3287 10.8990 10.8990 11.3636 11.3636 11.7822 11.7822 11.9283 11.9283 k = 0.3744 0.5059 0.3136 ( 8671 PWs) bands (ev): -68.3383 -68.3383 -68.3242 -68.3242 -38.1188 -38.1188 -38.0797 -38.0797 -36.9602 -36.9602 -36.8928 -36.8928 -36.8602 -36.8602 -36.8509 -36.8509 -17.7808 -17.7808 -4.4462 -4.4462 -2.6703 -2.6703 -2.3234 -2.3234 -0.1901 -0.1901 0.2822 0.2822 6.1473 6.1473 6.3318 6.3318 7.2366 7.2366 7.2846 7.2846 7.3548 7.3548 7.7622 7.7622 8.5822 8.5822 9.3194 9.3194 9.8137 9.8137 10.1816 10.1816 10.2345 10.2345 10.2937 10.2937 10.9309 10.9309 11.3603 11.3603 11.7701 11.7701 11.9133 11.9133 k = 0.3681 0.5203 0.3293 ( 8673 PWs) bands (ev): -68.3380 -68.3380 -68.3247 -68.3247 -38.1180 -38.1180 -38.0805 -38.0805 -36.9589 -36.9589 -36.8942 -36.8942 -36.8600 -36.8600 -36.8511 -36.8511 -17.7788 -17.7788 -4.4533 -4.4533 -2.6812 -2.6812 -2.3205 -2.3205 -0.1827 -0.1827 0.3002 0.3002 6.1245 6.1245 6.3174 6.3174 7.2503 7.2503 7.2703 7.2703 7.3684 7.3684 7.7416 7.7416 8.6107 8.6107 9.3122 9.3122 9.8200 9.8200 10.1570 10.1570 10.2058 10.2058 10.2562 10.2562 10.9652 10.9652 11.3531 11.3531 11.7606 11.7606 11.8859 11.8859 k = 0.3618 0.5347 0.3450 ( 8667 PWs) bands (ev): -68.3379 -68.3379 -68.3240 -68.3240 -38.1172 -38.1172 -38.0813 -38.0813 -36.9574 -36.9574 -36.8956 -36.8956 -36.8599 -36.8599 -36.8514 -36.8514 -17.7768 -17.7768 -4.4606 -4.4606 -2.6923 -2.6923 -2.3165 -2.3165 -0.1750 -0.1750 0.3170 0.3170 6.0983 6.0983 6.3043 6.3043 7.2598 7.2598 7.2648 7.2648 7.3835 7.3835 7.7211 7.7211 8.6422 8.6422 9.3056 9.3056 9.8270 9.8270 10.1307 10.1307 10.1772 10.1772 10.2205 10.2205 11.0000 11.0000 11.3477 11.3477 11.7544 11.7544 11.8505 11.8505 k = 0.3555 0.5490 0.3607 ( 8659 PWs) bands (ev): -68.3376 -68.3376 -68.3234 -68.3234 -38.1163 -38.1163 -38.0821 -38.0821 -36.9560 -36.9560 -36.8971 -36.8971 -36.8597 -36.8597 -36.8516 -36.8516 -17.7748 -17.7748 -4.4681 -4.4681 -2.7035 -2.7035 -2.3117 -2.3117 -0.1667 -0.1667 0.3327 0.3327 6.0684 6.0684 6.2929 6.2929 7.2537 7.2537 7.2792 7.2792 7.3993 7.3993 7.7005 7.7005 8.6733 8.6733 9.3008 9.3008 9.8319 9.8319 10.1032 10.1032 10.1498 10.1498 10.1851 10.1851 11.0364 11.0364 11.3409 11.3409 11.7515 11.7515 11.8094 11.8094 k = 0.3493 0.5634 0.3764 ( 8681 PWs) bands (ev): -68.3382 -68.3382 -68.3253 -68.3253 -38.1155 -38.1155 -38.0830 -38.0830 -36.9546 -36.9546 -36.8987 -36.8987 -36.8595 -36.8595 -36.8519 -36.8519 -17.7728 -17.7728 -4.4756 -4.4756 -2.7144 -2.7144 -2.3063 -2.3063 -0.1580 -0.1580 0.3468 0.3468 6.0356 6.0356 6.2820 6.2820 7.2502 7.2502 7.2934 7.2934 7.4138 7.4138 7.6790 7.6790 8.7037 8.7037 9.2957 9.2957 9.8272 9.8272 10.0674 10.0674 10.1123 10.1123 10.1455 10.1455 11.0697 11.0697 11.3262 11.3262 11.7482 11.7482 11.7646 11.7646 k = 0.3430 0.5778 0.3920 ( 8671 PWs) bands (ev): -68.3372 -68.3372 -68.3252 -68.3252 -38.1146 -38.1146 -38.0839 -38.0839 -36.9530 -36.9530 -36.9003 -36.9003 -36.8593 -36.8593 -36.8521 -36.8521 -17.7709 -17.7709 -4.4831 -4.4831 -2.7250 -2.7250 -2.3004 -2.3004 -0.1487 -0.1487 0.3594 0.3594 6.0016 6.0016 6.2734 6.2734 7.2507 7.2507 7.3086 7.3086 7.4288 7.4288 7.6583 7.6583 8.7369 8.7369 9.2956 9.2956 9.8235 9.8235 10.0373 10.0373 10.0837 10.0837 10.1176 10.1176 11.1037 11.1037 11.3171 11.3171 11.7221 11.7221 11.7496 11.7496 k = 0.3367 0.5922 0.4077 ( 8671 PWs) bands (ev): -68.3373 -68.3373 -68.3251 -68.3251 -38.1137 -38.1137 -38.0849 -38.0849 -36.9515 -36.9515 -36.9019 -36.9019 -36.8591 -36.8591 -36.8523 -36.8523 -17.7691 -17.7691 -4.4906 -4.4906 -2.7352 -2.7352 -2.2942 -2.2942 -0.1390 -0.1390 0.3704 0.3704 5.9666 5.9666 6.2663 6.2663 7.2535 7.2535 7.3240 7.3240 7.4432 7.4432 7.6375 7.6375 8.7710 8.7710 9.2933 9.2933 9.8161 9.8161 10.0043 10.0043 10.0458 10.0458 10.0933 10.0933 11.1275 11.1275 11.3078 11.3078 11.6862 11.6862 11.7528 11.7528 k = 0.3304 0.6065 0.4234 ( 8675 PWs) bands (ev): -68.3370 -68.3370 -68.3258 -68.3258 -38.1127 -38.1127 -38.0858 -38.0858 -36.9499 -36.9499 -36.9036 -36.9036 -36.8589 -36.8589 -36.8526 -36.8526 -17.7673 -17.7673 -4.4979 -4.4979 -2.7449 -2.7449 -2.2877 -2.2877 -0.1287 -0.1287 0.3795 0.3795 5.9315 5.9315 6.2608 6.2608 7.2576 7.2576 7.3396 7.3396 7.4570 7.4570 7.6166 7.6166 8.8067 8.8067 9.2943 9.2943 9.8054 9.8054 9.9687 9.9687 10.0040 10.0040 10.0709 10.0709 11.1428 11.1428 11.2954 11.2954 11.6616 11.6616 11.7575 11.7575 k = 0.3241 0.6209 0.4391 ( 8677 PWs) bands (ev): -68.3362 -68.3362 -68.3269 -68.3269 -38.1118 -38.1118 -38.0868 -38.0868 -36.9483 -36.9483 -36.9053 -36.9053 -36.8587 -36.8587 -36.8528 -36.8528 -17.7656 -17.7656 -4.5051 -4.5051 -2.7540 -2.7540 -2.2812 -2.2812 -0.1178 -0.1178 0.3866 0.3866 5.8967 5.8967 6.2571 6.2571 7.2623 7.2623 7.3545 7.3545 7.4704 7.4704 7.5965 7.5965 8.8440 8.8440 9.2969 9.2969 9.7894 9.7894 9.9332 9.9332 9.9646 9.9646 10.0519 10.0519 11.1444 11.1444 11.2860 11.2860 11.6538 11.6538 11.7642 11.7642 k = 0.3179 0.6353 0.4548 ( 8675 PWs) bands (ev): -68.3362 -68.3362 -68.3265 -68.3265 -38.1108 -38.1108 -38.0878 -38.0878 -36.9466 -36.9466 -36.9070 -36.9070 -36.8585 -36.8585 -36.8531 -36.8531 -17.7640 -17.7640 -4.5120 -4.5120 -2.7624 -2.7624 -2.2748 -2.2748 -0.1064 -0.1064 0.3917 0.3917 5.8635 5.8635 6.2553 6.2553 7.2684 7.2684 7.3706 7.3706 7.4822 7.4822 7.5763 7.5763 8.8805 8.8805 9.3025 9.3025 9.7787 9.7787 9.8951 9.8951 9.9245 9.9245 10.0333 10.0333 11.1316 11.1316 11.2754 11.2754 11.6650 11.6650 11.7712 11.7712 k = 0.3116 0.6496 0.4705 ( 8677 PWs) bands (ev): -68.3366 -68.3366 -68.3264 -68.3264 -38.1097 -38.1097 -38.0888 -38.0888 -36.9448 -36.9448 -36.9088 -36.9088 -36.8583 -36.8583 -36.8534 -36.8534 -17.7625 -17.7625 -4.5185 -4.5185 -2.7701 -2.7701 -2.2685 -2.2685 -0.0945 -0.0945 0.3945 0.3945 5.8319 5.8319 6.2554 6.2554 7.2730 7.2730 7.3870 7.3870 7.4936 7.4936 7.5565 7.5565 8.9188 8.9188 9.3050 9.3050 9.7649 9.7649 9.8555 9.8555 9.8873 9.8873 10.0160 10.0160 11.1037 11.1037 11.2654 11.2654 11.6917 11.6917 11.7810 11.7810 k = 0.3053 0.6640 0.4861 ( 8689 PWs) bands (ev): -68.3362 -68.3362 -68.3281 -68.3281 -38.1087 -38.1087 -38.0898 -38.0898 -36.9432 -36.9432 -36.9106 -36.9106 -36.8581 -36.8581 -36.8536 -36.8536 -17.7612 -17.7612 -4.5247 -4.5247 -2.7772 -2.7772 -2.2624 -2.2624 -0.0819 -0.0819 0.3949 0.3949 5.8024 5.8024 6.2569 6.2569 7.2755 7.2755 7.4033 7.4033 7.5036 7.5036 7.5369 7.5369 8.9604 8.9604 9.3106 9.3106 9.7436 9.7436 9.8110 9.8110 9.8502 9.8502 9.9978 9.9978 11.0676 11.0676 11.2546 11.2546 11.7315 11.7315 11.7906 11.7906 k = 0.2990 0.6784 0.5018 ( 8689 PWs) bands (ev): -68.3358 -68.3358 -68.3285 -68.3285 -38.1077 -38.1077 -38.0909 -38.0909 -36.9414 -36.9414 -36.9124 -36.9124 -36.8578 -36.8578 -36.8539 -36.8539 -17.7599 -17.7599 -4.5304 -4.5304 -2.7834 -2.7834 -2.2567 -2.2567 -0.0687 -0.0687 0.3930 0.3930 5.7758 5.7758 6.2607 6.2607 7.2764 7.2764 7.4202 7.4202 7.5116 7.5116 7.5192 7.5192 9.0021 9.0021 9.3183 9.3183 9.7220 9.7220 9.7696 9.7696 9.8207 9.8207 9.9843 9.9843 11.0265 11.0265 11.2459 11.2459 11.7795 11.7795 11.8045 11.8045 k = 0.2927 0.6927 0.5175 ( 8677 PWs) bands (ev): -68.3350 -68.3350 -68.3280 -68.3280 -38.1066 -38.1066 -38.0919 -38.0919 -36.9396 -36.9396 -36.9142 -36.9142 -36.8576 -36.8576 -36.8541 -36.8541 -17.7588 -17.7588 -4.5355 -4.5355 -2.7890 -2.7890 -2.2514 -2.2514 -0.0548 -0.0548 0.3888 0.3888 5.7523 5.7523 6.2670 6.2670 7.2757 7.2757 7.4377 7.4377 7.4993 7.4993 7.5234 7.5234 9.0469 9.0469 9.3300 9.3300 9.6975 9.6975 9.7347 9.7347 9.7910 9.7910 9.9715 9.9715 10.9838 10.9838 11.2411 11.2411 11.8134 11.8134 11.8439 11.8439 k = 0.2864 0.7071 0.5332 ( 8675 PWs) bands (ev): -68.3346 -68.3346 -68.3282 -68.3282 -38.1056 -38.1056 -38.0930 -38.0930 -36.9378 -36.9378 -36.9161 -36.9161 -36.8573 -36.8573 -36.8544 -36.8544 -17.7578 -17.7578 -4.5401 -4.5401 -2.7937 -2.7937 -2.2465 -2.2465 -0.0403 -0.0403 0.3820 0.3820 5.7321 5.7321 6.2747 6.2747 7.2713 7.2713 7.4546 7.4546 7.4818 7.4818 7.5303 7.5303 9.0890 9.0890 9.3426 9.3426 9.6630 9.6630 9.7094 9.7094 9.7643 9.7643 9.9589 9.9589 10.9395 10.9395 11.2359 11.2359 11.8274 11.8274 11.9056 11.9056 k = 0.2802 0.7215 0.5489 ( 8673 PWs) bands (ev): -68.3342 -68.3342 -68.3283 -68.3283 -38.1045 -38.1045 -38.0941 -38.0941 -36.9359 -36.9359 -36.9180 -36.9180 -36.8571 -36.8571 -36.8547 -36.8547 -17.7570 -17.7570 -4.5440 -4.5440 -2.7977 -2.7977 -2.2422 -2.2422 -0.0252 -0.0252 0.3727 0.3727 5.7155 5.7155 6.2842 6.2842 7.2642 7.2642 7.4648 7.4648 7.4723 7.4723 7.5361 7.5361 9.1325 9.1325 9.3573 9.3573 9.6217 9.6217 9.6884 9.6884 9.7393 9.7393 9.9470 9.9470 10.8969 10.8969 11.2322 11.2322 11.8400 11.8400 11.9723 11.9723 k = 0.2739 0.7358 0.5646 ( 8675 PWs) bands (ev): -68.3338 -68.3338 -68.3290 -68.3290 -38.1034 -38.1034 -38.0951 -38.0951 -36.9341 -36.9341 -36.9198 -36.9198 -36.8569 -36.8569 -36.8549 -36.8549 -17.7563 -17.7563 -4.5472 -4.5472 -2.8010 -2.8010 -2.2385 -2.2385 -0.0095 -0.0095 0.3610 0.3610 5.7028 5.7028 6.2958 6.2958 7.2523 7.2523 7.4475 7.4475 7.4895 7.4895 7.5404 7.5404 9.1752 9.1752 9.3740 9.3740 9.5754 9.5754 9.6714 9.6714 9.7191 9.7191 9.9372 9.9372 10.8537 10.8537 11.2281 11.2281 11.8519 11.8519 12.0430 12.0430 k = 0.2739 0.7358 0.5646 ( 8675 PWs) bands (ev): -68.3338 -68.3338 -68.3290 -68.3290 -38.1034 -38.1034 -38.0951 -38.0951 -36.9341 -36.9341 -36.9198 -36.9198 -36.8569 -36.8569 -36.8549 -36.8549 -17.7563 -17.7563 -4.5472 -4.5472 -2.8010 -2.8010 -2.2385 -2.2385 -0.0095 -0.0095 0.3610 0.3610 5.7028 5.7028 6.2958 6.2958 7.2523 7.2523 7.4475 7.4475 7.4895 7.4895 7.5404 7.5404 9.1752 9.1752 9.3740 9.3740 9.5754 9.5754 9.6714 9.6714 9.7191 9.7191 9.9372 9.9372 10.8537 10.8537 11.2281 11.2281 11.8519 11.8519 12.0430 12.0430 k = 0.2528 0.7316 0.5691 ( 8673 PWs) bands (ev): -68.3335 -68.3335 -68.3291 -68.3291 -38.1031 -38.1031 -38.0954 -38.0954 -36.9335 -36.9335 -36.9204 -36.9204 -36.8568 -36.8568 -36.8550 -36.8550 -17.7561 -17.7561 -4.5481 -4.5481 -2.8018 -2.8018 -2.2375 -2.2375 -0.0045 -0.0045 0.3567 0.3567 5.7005 5.7005 6.2987 6.2987 7.2492 7.2492 7.4415 7.4415 7.4947 7.4947 7.5407 7.5407 9.1875 9.1875 9.3786 9.3786 9.5617 9.5617 9.6686 9.6686 9.7167 9.7167 9.9361 9.9361 10.8438 10.8438 11.2272 11.2272 11.8361 11.8361 12.0839 12.0839 k = 0.2317 0.7274 0.5737 ( 8668 PWs) bands (ev): -68.3333 -68.3333 -68.3286 -68.3286 -38.1028 -38.1028 -38.0958 -38.0958 -36.9330 -36.9330 -36.9209 -36.9209 -36.8567 -36.8567 -36.8551 -36.8551 -17.7560 -17.7560 -4.5488 -4.5488 -2.8025 -2.8025 -2.2365 -2.2365 0.0009 0.0009 0.3517 0.3517 5.7001 5.7001 6.2994 6.2994 7.2485 7.2485 7.4342 7.4342 7.5024 7.5024 7.5389 7.5389 9.2016 9.2016 9.3867 9.3867 9.5484 9.5484 9.6661 9.6661 9.7134 9.7134 9.9282 9.9282 10.8413 10.8413 11.2257 11.2257 11.7980 11.7980 12.1139 12.1139 k = 0.2107 0.7232 0.5783 ( 8662 PWs) bands (ev): -68.3326 -68.3326 -68.3287 -68.3287 -38.1025 -38.1025 -38.0961 -38.0961 -36.9324 -36.9324 -36.9215 -36.9215 -36.8566 -36.8566 -36.8551 -36.8551 -17.7558 -17.7558 -4.5495 -4.5495 -2.8032 -2.8032 -2.2355 -2.2355 0.0067 0.0067 0.3461 0.3461 5.7014 5.7014 6.2980 6.2980 7.2491 7.2491 7.4278 7.4278 7.5105 7.5105 7.5358 7.5358 9.2157 9.2157 9.3954 9.3954 9.5368 9.5368 9.6618 9.6618 9.7105 9.7105 9.9192 9.9192 10.8425 10.8425 11.2261 11.2261 11.7530 11.7530 12.1054 12.1054 k = 0.1896 0.7190 0.5829 ( 8662 PWs) bands (ev): -68.3323 -68.3323 -68.3290 -68.3290 -38.1021 -38.1021 -38.0964 -38.0964 -36.9319 -36.9319 -36.9220 -36.9220 -36.8565 -36.8565 -36.8552 -36.8552 -17.7557 -17.7557 -4.5501 -4.5501 -2.8038 -2.8038 -2.2346 -2.2346 0.0126 0.0126 0.3400 0.3400 5.7041 5.7041 6.2946 6.2946 7.2520 7.2520 7.4211 7.4211 7.5175 7.5175 7.5313 7.5313 9.2293 9.2293 9.4050 9.4050 9.5227 9.5227 9.6567 9.6567 9.7078 9.7078 9.9075 9.9075 10.8484 10.8484 11.2241 11.2241 11.7069 11.7069 12.0958 12.0958 k = 0.1685 0.7148 0.5875 ( 8664 PWs) bands (ev): -68.3325 -68.3325 -68.3290 -68.3290 -38.1018 -38.1018 -38.0967 -38.0967 -36.9313 -36.9313 -36.9226 -36.9226 -36.8565 -36.8565 -36.8553 -36.8553 -17.7556 -17.7556 -4.5507 -4.5507 -2.8043 -2.8043 -2.2337 -2.2337 0.0188 0.0188 0.3336 0.3336 5.7080 5.7080 6.2895 6.2895 7.2572 7.2572 7.4143 7.4143 7.5240 7.5240 7.5246 7.5246 9.2436 9.2436 9.4150 9.4150 9.5095 9.5095 9.6500 9.6500 9.7070 9.7070 9.8914 9.8914 10.8596 10.8596 11.2210 11.2210 11.6600 11.6600 12.0878 12.0878 k = 0.1475 0.7106 0.5921 ( 8673 PWs) bands (ev): -68.3330 -68.3330 -68.3296 -68.3296 -38.1015 -38.1015 -38.0970 -38.0970 -36.9308 -36.9308 -36.9231 -36.9231 -36.8564 -36.8564 -36.8554 -36.8554 -17.7555 -17.7555 -4.5512 -4.5512 -2.8048 -2.8048 -2.2329 -2.2329 0.0248 0.0248 0.3271 0.3271 5.7129 5.7129 6.2829 6.2829 7.2641 7.2641 7.4077 7.4077 7.5152 7.5152 7.5307 7.5307 9.2581 9.2581 9.4236 9.4236 9.4962 9.4962 9.6404 9.6404 9.7061 9.7061 9.8724 9.8724 10.8738 10.8738 11.2170 11.2170 11.6143 11.6143 12.0803 12.0803 k = 0.1264 0.7064 0.5967 ( 8676 PWs) bands (ev): -68.3326 -68.3326 -68.3302 -68.3302 -38.1012 -38.1012 -38.0974 -38.0974 -36.9303 -36.9303 -36.9237 -36.9237 -36.8563 -36.8563 -36.8555 -36.8555 -17.7554 -17.7554 -4.5516 -4.5516 -2.8052 -2.8052 -2.2322 -2.2322 0.0307 0.0307 0.3207 0.3207 5.7182 5.7182 6.2756 6.2756 7.2721 7.2721 7.4031 7.4031 7.5057 7.5057 7.5365 7.5365 9.2723 9.2723 9.4298 9.4298 9.4889 9.4889 9.6318 9.6318 9.7052 9.7052 9.8551 9.8551 10.8897 10.8897 11.2161 11.2161 11.5711 11.5711 12.0739 12.0739 k = 0.1053 0.7022 0.6012 ( 8676 PWs) bands (ev): -68.3321 -68.3321 -68.3308 -68.3308 -38.1009 -38.1009 -38.0977 -38.0977 -36.9297 -36.9297 -36.9242 -36.9242 -36.8563 -36.8563 -36.8555 -36.8555 -17.7553 -17.7553 -4.5520 -4.5520 -2.8055 -2.8055 -2.2316 -2.2316 0.0362 0.0362 0.3147 0.3147 5.7238 5.7238 6.2681 6.2681 7.2811 7.2811 7.3988 7.3988 7.4962 7.4962 7.5410 7.5410 9.2862 9.2862 9.4324 9.4324 9.4891 9.4891 9.6215 9.6215 9.7087 9.7087 9.8370 9.8370 10.9080 10.9080 11.2143 11.2143 11.5309 11.5309 12.0678 12.0678 k = 0.0843 0.6980 0.6058 ( 8669 PWs) bands (ev): -68.3320 -68.3320 -68.3301 -68.3301 -38.1005 -38.1005 -38.0980 -38.0980 -36.9292 -36.9292 -36.9248 -36.9248 -36.8562 -36.8562 -36.8556 -36.8556 -17.7553 -17.7553 -4.5523 -4.5523 -2.8058 -2.8058 -2.2310 -2.2310 0.0411 0.0411 0.3093 0.3093 5.7292 5.7292 6.2609 6.2609 7.2906 7.2906 7.3956 7.3956 7.4865 7.4865 7.5465 7.5465 9.3026 9.3026 9.4274 9.4274 9.4971 9.4971 9.6118 9.6118 9.7163 9.7163 9.8183 9.8183 10.9268 10.9268 11.2129 11.2129 11.4946 11.4946 12.0669 12.0669 k = 0.0632 0.6938 0.6104 ( 8680 PWs) bands (ev): -68.3324 -68.3324 -68.3309 -68.3309 -38.1002 -38.1002 -38.0983 -38.0983 -36.9286 -36.9286 -36.9253 -36.9253 -36.8561 -36.8561 -36.8557 -36.8557 -17.7552 -17.7552 -4.5525 -4.5525 -2.8060 -2.8060 -2.2306 -2.2306 0.0452 0.0452 0.3048 0.3048 5.7339 5.7339 6.2545 6.2545 7.2995 7.2995 7.3917 7.3917 7.4770 7.4770 7.5491 7.5491 9.3143 9.3143 9.4160 9.4160 9.5077 9.5077 9.5992 9.5992 9.7210 9.7210 9.7985 9.7985 10.9426 10.9426 11.2094 11.2094 11.4646 11.4646 12.0623 12.0623 k = 0.0421 0.6896 0.6150 ( 8686 PWs) bands (ev): -68.3321 -68.3321 -68.3319 -68.3319 -38.0999 -38.0999 -38.0986 -38.0986 -36.9281 -36.9281 -36.9259 -36.9259 -36.8561 -36.8561 -36.8558 -36.8558 -17.7552 -17.7552 -4.5527 -4.5527 -2.8062 -2.8062 -2.2303 -2.2303 0.0483 0.0483 0.3014 0.3014 5.7375 5.7375 6.2494 6.2494 7.3068 7.3068 7.3892 7.3892 7.4692 7.4692 7.5509 7.5509 9.3266 9.3266 9.4038 9.4038 9.5201 9.5201 9.5862 9.5862 9.7289 9.7289 9.7823 9.7823 10.9558 10.9558 11.2075 11.2075 11.4405 11.4405 12.0593 12.0593 k = 0.0211 0.6854 0.6196 ( 8684 PWs) bands (ev): -68.3320 -68.3320 -68.3317 -68.3317 -38.0996 -38.0996 -38.0990 -38.0990 -36.9275 -36.9275 -36.9264 -36.9264 -36.8560 -36.8560 -36.8558 -36.8558 -17.7552 -17.7552 -4.5528 -4.5528 -2.8063 -2.8063 -2.2301 -2.2301 0.0503 0.0503 0.2992 0.2992 5.7399 5.7399 6.2462 6.2462 7.3120 7.3120 7.3881 7.3881 7.4638 7.4638 7.5524 7.5524 9.3380 9.3380 9.3945 9.3945 9.5314 9.5314 9.5761 9.5761 9.7398 9.7398 9.7687 9.7687 10.9647 10.9647 11.2070 11.2070 11.4255 11.4255 12.0582 12.0582 k = 0.0000 0.6812 0.6242 ( 8680 PWs) bands (ev): -68.3316 -68.3316 -68.3316 -68.3316 -38.0993 -38.0993 -38.0993 -38.0993 -36.9270 -36.9270 -36.9270 -36.9270 -36.8559 -36.8559 -36.8559 -36.8559 -17.7552 -17.7552 -4.5528 -4.5528 -2.8063 -2.8063 -2.2300 -2.2300 0.0510 0.0510 0.2985 0.2985 5.7407 5.7407 6.2452 6.2452 7.3141 7.3141 7.3877 7.3877 7.4623 7.4623 7.5530 7.5530 9.3427 9.3427 9.3895 9.3895 9.5386 9.5386 9.5716 9.5716 9.7495 9.7495 9.7599 9.7599 10.9688 10.9688 11.2067 11.2067 11.4204 11.4204 12.0579 12.0579 k = 0.0000 0.6812 0.6242 ( 8680 PWs) bands (ev): -68.3316 -68.3316 -68.3316 -68.3316 -38.0993 -38.0993 -38.0993 -38.0993 -36.9270 -36.9270 -36.9270 -36.9270 -36.8559 -36.8559 -36.8559 -36.8559 -17.7552 -17.7552 -4.5528 -4.5528 -2.8063 -2.8063 -2.2300 -2.2300 0.0510 0.0510 0.2985 0.2985 5.7407 5.7407 6.2452 6.2452 7.3141 7.3141 7.3877 7.3877 7.4623 7.4623 7.5530 7.5530 9.3427 9.3427 9.3895 9.3895 9.5386 9.5386 9.5716 9.5716 9.7495 9.7495 9.7599 9.7599 10.9688 10.9688 11.2067 11.2067 11.4204 11.4204 12.0579 12.0579 k = 0.0064 0.6665 0.6402 ( 8684 PWs) bands (ev): -68.3319 -68.3319 -68.3319 -68.3319 -38.0993 -38.0993 -38.0993 -38.0993 -36.9270 -36.9270 -36.9270 -36.9270 -36.8559 -36.8559 -36.8559 -36.8559 -17.7551 -17.7551 -4.5528 -4.5528 -2.8062 -2.8062 -2.2307 -2.2307 0.0516 0.0516 0.2984 0.2984 5.7415 5.7415 6.2436 6.2436 7.3131 7.3131 7.3886 7.3886 7.4603 7.4603 7.5538 7.5538 9.3388 9.3388 9.3847 9.3847 9.5383 9.5383 9.5772 9.5772 9.7491 9.7491 9.7581 9.7581 10.9683 10.9683 11.1987 11.1987 11.4277 11.4277 12.0470 12.0470 k = 0.0128 0.6519 0.6562 ( 8678 PWs) bands (ev): -68.3315 -68.3315 -68.3315 -68.3315 -38.0993 -38.0993 -38.0993 -38.0993 -36.9271 -36.9271 -36.9270 -36.9270 -36.8559 -36.8559 -36.8558 -36.8558 -17.7548 -17.7548 -4.5528 -4.5528 -2.8057 -2.8057 -2.2327 -2.2327 0.0535 0.0535 0.2982 0.2982 5.7440 5.7440 6.2389 6.2389 7.3111 7.3111 7.3916 7.3916 7.4557 7.4557 7.5585 7.5585 9.3299 9.3299 9.3710 9.3710 9.5429 9.5429 9.5937 9.5937 9.7493 9.7493 9.7565 9.7565 10.9703 10.9703 11.1785 11.1785 11.4477 11.4477 12.0193 12.0193 k = 0.0192 0.6372 0.6722 ( 8682 PWs) bands (ev): -68.3317 -68.3317 -68.3317 -68.3317 -38.0993 -38.0993 -38.0993 -38.0993 -36.9272 -36.9272 -36.9271 -36.9271 -36.8558 -36.8558 -36.8557 -36.8557 -17.7545 -17.7545 -4.5528 -4.5528 -2.8050 -2.8050 -2.2361 -2.2361 0.0566 0.0566 0.2979 0.2979 5.7481 5.7481 6.2310 6.2310 7.3072 7.3072 7.3950 7.3950 7.4478 7.4478 7.5643 7.5643 9.3160 9.3160 9.3490 9.3490 9.5476 9.5476 9.6137 9.6137 9.7478 9.7478 9.7559 9.7559 10.9715 10.9715 11.1484 11.1484 11.4724 11.4724 11.9752 11.9752 k = 0.0256 0.6225 0.6882 ( 8684 PWs) bands (ev): -68.3318 -68.3318 -68.3318 -68.3318 -38.0994 -38.0994 -38.0993 -38.0993 -36.9274 -36.9274 -36.9272 -36.9272 -36.8556 -36.8556 -36.8555 -36.8555 -17.7539 -17.7539 -4.5529 -4.5529 -2.8040 -2.8040 -2.2407 -2.2407 0.0610 0.0610 0.2974 0.2974 5.7537 5.7537 6.2202 6.2202 7.3016 7.3016 7.4000 7.4000 7.4364 7.4364 7.5727 7.5727 9.2982 9.2982 9.3248 9.3248 9.5522 9.5522 9.6363 9.6363 9.7462 9.7462 9.7590 9.7590 10.9723 10.9723 11.1149 11.1149 11.4991 11.4991 11.9218 11.9218 k = 0.0321 0.6079 0.7042 ( 8674 PWs) bands (ev): -68.3312 -68.3312 -68.3312 -68.3312 -38.0994 -38.0994 -38.0993 -38.0993 -36.9276 -36.9276 -36.9274 -36.9274 -36.8554 -36.8554 -36.8553 -36.8553 -17.7532 -17.7532 -4.5530 -4.5530 -2.8027 -2.8027 -2.2466 -2.2466 0.0666 0.0666 0.2968 0.2968 5.7609 5.7609 6.2068 6.2068 7.2950 7.2950 7.4061 7.4061 7.4238 7.4238 7.5837 7.5837 9.2815 9.2815 9.3002 9.3002 9.5562 9.5562 9.6597 9.6597 9.7473 9.7473 9.7650 9.7650 10.9724 10.9724 11.0798 11.0798 11.5265 11.5265 11.8677 11.8677 k = 0.0385 0.5932 0.7202 ( 8678 PWs) bands (ev): -68.3315 -68.3315 -68.3315 -68.3315 -38.0994 -38.0994 -38.0994 -38.0994 -36.9279 -36.9279 -36.9276 -36.9276 -36.8552 -36.8552 -36.8550 -36.8550 -17.7524 -17.7524 -4.5531 -4.5531 -2.8012 -2.8012 -2.2535 -2.2535 0.0734 0.0734 0.2960 0.2960 5.7691 5.7691 6.1907 6.1907 7.2872 7.2872 7.4078 7.4078 7.4124 7.4124 7.5958 7.5958 9.2590 9.2590 9.2733 9.2733 9.5507 9.5507 9.6802 9.6802 9.7514 9.7514 9.7713 9.7713 10.9697 10.9697 11.0437 11.0437 11.5511 11.5511 11.8109 11.8109 k = 0.0449 0.5786 0.7362 ( 8676 PWs) bands (ev): -68.3313 -68.3313 -68.3313 -68.3313 -38.0995 -38.0995 -38.0994 -38.0994 -36.9281 -36.9281 -36.9278 -36.9278 -36.8549 -36.8549 -36.8547 -36.8547 -17.7514 -17.7514 -4.5532 -4.5532 -2.7996 -2.7996 -2.2614 -2.2614 0.0813 0.0813 0.2950 0.2950 5.7784 5.7784 6.1724 6.1724 7.2783 7.2783 7.3896 7.3896 7.4195 7.4195 7.6114 7.6114 9.2338 9.2338 9.2489 9.2489 9.5426 9.5426 9.6975 9.6975 9.7600 9.7600 9.7802 9.7802 10.9632 10.9632 11.0103 11.0103 11.5730 11.5730 11.7577 11.7577 k = 0.0513 0.5639 0.7522 ( 8670 PWs) bands (ev): -68.3310 -68.3310 -68.3310 -68.3310 -38.0995 -38.0995 -38.0995 -38.0995 -36.9284 -36.9284 -36.9281 -36.9281 -36.8546 -36.8546 -36.8544 -36.8544 -17.7503 -17.7503 -4.5534 -4.5534 -2.7977 -2.7977 -2.2702 -2.2702 0.0904 0.0904 0.2939 0.2939 5.7885 5.7885 6.1521 6.1521 7.2688 7.2688 7.3695 7.3695 7.4273 7.4273 7.6290 7.6290 9.2070 9.2070 9.2266 9.2266 9.5287 9.5287 9.7089 9.7089 9.7736 9.7736 9.7953 9.7953 10.9471 10.9471 10.9854 10.9854 11.5922 11.5922 11.7099 11.7099 k = 0.0577 0.5492 0.7682 ( 8670 PWs) bands (ev): -68.3310 -68.3310 -68.3310 -68.3310 -38.0996 -38.0996 -38.0995 -38.0995 -36.9288 -36.9288 -36.9284 -36.9284 -36.8543 -36.8543 -36.8540 -36.8540 -17.7491 -17.7491 -4.5537 -4.5537 -2.7958 -2.7958 -2.2798 -2.2798 0.1006 0.1006 0.2926 0.2926 5.7992 5.7992 6.1299 6.1299 7.2577 7.2577 7.3489 7.3489 7.4343 7.4343 7.6477 7.6477 9.1778 9.1778 9.2067 9.2067 9.5103 9.5103 9.7122 9.7122 9.7877 9.7877 9.8138 9.8138 10.9173 10.9173 10.9669 10.9669 11.6040 11.6040 11.6724 11.6724 k = 0.0641 0.5346 0.7842 ( 8680 PWs) bands (ev): -68.3315 -68.3315 -68.3315 -68.3315 -38.0997 -38.0997 -38.0996 -38.0996 -36.9292 -36.9292 -36.9288 -36.9288 -36.8539 -36.8539 -36.8536 -36.8536 -17.7478 -17.7478 -4.5541 -4.5541 -2.7938 -2.7938 -2.2899 -2.2899 0.1118 0.1118 0.2911 0.2911 5.8101 5.8101 6.1061 6.1061 7.2454 7.2454 7.3265 7.3265 7.4404 7.4404 7.6674 7.6674 9.1477 9.1477 9.1863 9.1863 9.4856 9.4856 9.7108 9.7108 9.8023 9.8023 9.8324 9.8324 10.8809 10.8809 10.9473 10.9473 11.6066 11.6066 11.6468 11.6468 k = 0.0705 0.5199 0.8002 ( 8676 PWs) bands (ev): -68.3312 -68.3312 -68.3312 -68.3312 -38.0997 -38.0997 -38.0996 -38.0996 -36.9296 -36.9296 -36.9292 -36.9292 -36.8535 -36.8535 -36.8532 -36.8532 -17.7463 -17.7463 -4.5546 -4.5546 -2.7918 -2.7918 -2.3004 -2.3004 0.1239 0.1239 0.2894 0.2894 5.8210 5.8210 6.0811 6.0811 7.2331 7.2331 7.3041 7.3041 7.4470 7.4470 7.6909 7.6909 9.1177 9.1177 9.1677 9.1677 9.4603 9.4603 9.7067 9.7067 9.8203 9.8203 9.8557 9.8557 10.8461 10.8461 10.9275 10.9275 11.5981 11.5981 11.6397 11.6397 k = 0.0769 0.5052 0.8162 ( 8676 PWs) bands (ev): -68.3312 -68.3312 -68.3312 -68.3312 -38.0998 -38.0998 -38.0997 -38.0997 -36.9300 -36.9300 -36.9295 -36.9295 -36.8531 -36.8531 -36.8528 -36.8528 -17.7448 -17.7448 -4.5552 -4.5552 -2.7898 -2.7898 -2.3112 -2.3112 0.1370 0.1370 0.2876 0.2876 5.8315 5.8315 6.0552 6.0552 7.2194 7.2194 7.2815 7.2815 7.4526 7.4526 7.7151 7.7151 9.0885 9.0885 9.1509 9.1509 9.4316 9.4316 9.6982 9.6982 9.8396 9.8396 9.8787 9.8787 10.8094 10.8094 10.9033 10.9033 11.5857 11.5857 11.6389 11.6389 k = 0.0833 0.4906 0.8322 ( 8688 PWs) bands (ev): -68.3318 -68.3318 -68.3318 -68.3318 -38.0999 -38.0999 -38.0998 -38.0998 -36.9304 -36.9304 -36.9300 -36.9300 -36.8526 -36.8526 -36.8523 -36.8523 -17.7431 -17.7431 -4.5560 -4.5560 -2.7880 -2.7880 -2.3221 -2.3221 0.1510 0.1510 0.2855 0.2855 5.8408 5.8408 6.0285 6.0285 7.2046 7.2046 7.2584 7.2584 7.4575 7.4575 7.7402 7.7402 9.0597 9.0597 9.1318 9.1318 9.4015 9.4015 9.6849 9.6849 9.8536 9.8536 9.9008 9.9008 10.7727 10.7727 10.8738 10.8738 11.5731 11.5731 11.6365 11.6365 k = 0.0897 0.4759 0.8482 ( 8686 PWs) bands (ev): -68.3317 -68.3317 -68.3317 -68.3317 -38.1000 -38.1000 -38.0999 -38.0999 -36.9308 -36.9308 -36.9304 -36.9304 -36.8522 -36.8522 -36.8518 -36.8518 -17.7414 -17.7414 -4.5568 -4.5568 -2.7863 -2.7863 -2.3328 -2.3328 0.1658 0.1658 0.2832 0.2832 5.8493 5.8493 6.0015 6.0015 7.1894 7.1894 7.2375 7.2375 7.4618 7.4618 7.7673 7.7673 9.0321 9.0321 9.1175 9.1175 9.3725 9.3725 9.6707 9.6707 9.8700 9.8700 9.9238 9.9238 10.7377 10.7377 10.8439 10.8439 11.5668 11.5668 11.6337 11.6337 k = 0.0962 0.4612 0.8643 ( 8684 PWs) bands (ev): -68.3316 -68.3316 -68.3316 -68.3316 -38.1001 -38.1001 -38.1000 -38.1000 -36.9313 -36.9313 -36.9308 -36.9308 -36.8517 -36.8517 -36.8513 -36.8513 -17.7396 -17.7396 -4.5579 -4.5579 -2.7850 -2.7850 -2.3434 -2.3434 0.1812 0.1812 0.2807 0.2807 5.8557 5.8557 5.9743 5.9743 7.1737 7.1737 7.2179 7.2179 7.4652 7.4652 7.7967 7.7967 9.0049 9.0049 9.1016 9.1016 9.3448 9.3448 9.6521 9.6521 9.8873 9.8873 9.9467 9.9467 10.7042 10.7042 10.8138 10.8138 11.5625 11.5625 11.6277 11.6277 k = 0.1026 0.4466 0.8803 ( 8682 PWs) bands (ev): -68.3314 -68.3314 -68.3314 -68.3314 -38.1002 -38.1002 -38.1000 -38.1000 -36.9317 -36.9317 -36.9313 -36.9313 -36.8512 -36.8512 -36.8508 -36.8508 -17.7378 -17.7378 -4.5591 -4.5591 -2.7839 -2.7839 -2.3535 -2.3535 0.1973 0.1973 0.2780 0.2780 5.8602 5.8602 5.9473 5.9473 7.1573 7.1573 7.2007 7.2007 7.4679 7.4679 7.8267 7.8267 8.9782 8.9782 9.0882 9.0882 9.3162 9.3162 9.6302 9.6302 9.9025 9.9025 9.9695 9.9695 10.6715 10.6715 10.7818 10.7818 11.5603 11.5603 11.6211 11.6211 k = 0.1090 0.4319 0.8963 ( 8688 PWs) bands (ev): -68.3317 -68.3317 -68.3317 -68.3317 -38.1003 -38.1003 -38.1001 -38.1001 -36.9322 -36.9322 -36.9317 -36.9317 -36.8507 -36.8507 -36.8504 -36.8504 -17.7359 -17.7359 -4.5604 -4.5604 -2.7832 -2.7832 -2.3630 -2.3630 0.2140 0.2140 0.2751 0.2751 5.8617 5.8617 5.9211 5.9211 7.1403 7.1403 7.1856 7.1856 7.4694 7.4694 7.8568 7.8568 8.9539 8.9539 9.0727 9.0727 9.2861 9.2861 9.6034 9.6034 9.9159 9.9159 9.9896 9.9896 10.6384 10.6384 10.7480 10.7480 11.5573 11.5573 11.6141 11.6141 k = 0.1154 0.4172 0.9123 ( 8680 PWs) bands (ev): -68.3312 -68.3312 -68.3312 -68.3312 -38.1003 -38.1003 -38.1002 -38.1002 -36.9326 -36.9326 -36.9322 -36.9322 -36.8502 -36.8502 -36.8498 -36.8498 -17.7339 -17.7339 -4.5620 -4.5620 -2.7829 -2.7829 -2.3718 -2.3718 0.2311 0.2311 0.2720 0.2720 5.8597 5.8597 5.8961 5.8961 7.1233 7.1233 7.1739 7.1739 7.4700 7.4700 7.8900 7.8900 8.9289 8.9289 9.0623 9.0623 9.2597 9.2597 9.5769 9.5769 9.9302 9.9302 10.0120 10.0120 10.6094 10.6094 10.7181 10.7181 11.5529 11.5529 11.6047 11.6047 k = 0.1218 0.4026 0.9283 ( 8684 PWs) bands (ev): -68.3314 -68.3314 -68.3314 -68.3314 -38.1004 -38.1004 -38.1003 -38.1003 -36.9331 -36.9331 -36.9326 -36.9326 -36.8497 -36.8497 -36.8493 -36.8493 -17.7320 -17.7320 -4.5637 -4.5637 -2.7831 -2.7831 -2.3798 -2.3798 0.2484 0.2484 0.2688 0.2688 5.8511 5.8511 5.8754 5.8754 7.1059 7.1059 7.1650 7.1650 7.4689 7.4689 7.9230 7.9230 8.9049 8.9049 9.0515 9.0515 9.2336 9.2336 9.5480 9.5480 9.9395 9.9395 10.0285 10.0285 10.5783 10.5783 10.6846 10.6846 11.5474 11.5474 11.5950 11.5950 k = 0.1282 0.3879 0.9443 ( 8684 PWs) bands (ev): -68.3314 -68.3314 -68.3314 -68.3314 -38.1005 -38.1005 -38.1004 -38.1004 -36.9336 -36.9336 -36.9331 -36.9331 -36.8492 -36.8492 -36.8488 -36.8488 -17.7300 -17.7300 -4.5656 -4.5656 -2.7838 -2.7838 -2.3869 -2.3869 0.2637 0.2637 0.2678 0.2678 5.8330 5.8330 5.8621 5.8621 7.0886 7.0886 7.1598 7.1598 7.4669 7.4669 7.9572 7.9572 8.8821 8.8821 9.0426 9.0426 9.2082 9.2082 9.5170 9.5170 9.9495 9.9495 10.0454 10.0454 10.5490 10.5490 10.6522 10.6522 11.5398 11.5398 11.5844 11.5844 k = 0.1346 0.3732 0.9603 ( 8690 PWs) bands (ev): -68.3317 -68.3317 -68.3317 -68.3317 -38.1006 -38.1006 -38.1005 -38.1005 -36.9340 -36.9340 -36.9335 -36.9335 -36.8487 -36.8487 -36.8484 -36.8484 -17.7281 -17.7281 -4.5676 -4.5676 -2.7850 -2.7850 -2.3931 -2.3931 0.2613 0.2613 0.2843 0.2843 5.8106 5.8106 5.8511 5.8511 7.0714 7.0714 7.1578 7.1578 7.4628 7.4628 7.9917 7.9917 8.8610 8.8610 9.0339 9.0339 9.1836 9.1836 9.4845 9.4845 9.9579 9.9579 10.0557 10.0557 10.5176 10.5176 10.6196 10.6196 11.5318 11.5318 11.5747 11.5747 k = 0.1410 0.3586 0.9763 ( 8682 PWs) bands (ev): -68.3313 -68.3313 -68.3313 -68.3313 -38.1007 -38.1007 -38.1006 -38.1006 -36.9344 -36.9344 -36.9340 -36.9340 -36.8482 -36.8482 -36.8479 -36.8479 -17.7262 -17.7262 -4.5697 -4.5697 -2.7866 -2.7866 -2.3982 -2.3982 0.2576 0.2576 0.3022 0.3022 5.7880 5.7880 5.8387 5.8387 7.0548 7.0548 7.1595 7.1595 7.4589 7.4589 8.0275 8.0275 8.8447 8.8447 9.0262 9.0262 9.1630 9.1630 9.4520 9.4520 9.9664 9.9664 10.0703 10.0703 10.4911 10.4911 10.5873 10.5873 11.5228 11.5228 11.5644 11.5644 k = 0.1474 0.3439 0.9923 ( 8678 PWs) bands (ev): -68.3310 -68.3310 -68.3310 -68.3310 -38.1008 -38.1008 -38.1007 -38.1007 -36.9349 -36.9349 -36.9344 -36.9344 -36.8478 -36.8478 -36.8474 -36.8474 -17.7243 -17.7243 -4.5720 -4.5720 -2.7887 -2.7887 -2.4025 -2.4025 0.2538 0.2538 0.3200 0.3200 5.7658 5.7658 5.8246 5.8246 7.0383 7.0383 7.1642 7.1642 7.4532 7.4532 8.0632 8.0632 8.8270 8.8270 9.0213 9.0213 9.1418 9.1418 9.4205 9.4205 9.9723 9.9723 10.0816 10.0816 10.4647 10.4647 10.5535 10.5535 11.5150 11.5150 11.5552 11.5552 k = 0.1538 0.3293 1.0083 ( 8682 PWs) bands (ev): -68.3313 -68.3313 -68.3313 -68.3313 -38.1009 -38.1009 -38.1008 -38.1008 -36.9353 -36.9353 -36.9348 -36.9348 -36.8473 -36.8473 -36.8470 -36.8470 -17.7224 -17.7224 -4.5744 -4.5744 -2.7911 -2.7911 -2.4057 -2.4057 0.2498 0.2498 0.3375 0.3375 5.7445 5.7445 5.8079 5.8079 7.0222 7.0222 7.1720 7.1720 7.4467 7.4467 8.0992 8.0992 8.8113 8.8113 9.0138 9.0138 9.1220 9.1220 9.3862 9.3862 9.9772 9.9772 10.0893 10.0893 10.4386 10.4386 10.5194 10.5194 11.5052 11.5052 11.5437 11.5437 k = 0.1603 0.3146 1.0243 ( 8682 PWs) bands (ev): -68.3313 -68.3313 -68.3313 -68.3313 -38.1010 -38.1010 -38.1008 -38.1008 -36.9356 -36.9356 -36.9352 -36.9352 -36.8469 -36.8469 -36.8465 -36.8465 -17.7206 -17.7206 -4.5768 -4.5768 -2.7939 -2.7939 -2.4082 -2.4082 0.2458 0.2458 0.3547 0.3547 5.7242 5.7242 5.7897 5.7897 7.0067 7.0067 7.1824 7.1824 7.4396 7.4396 8.1357 8.1357 8.7971 8.7971 9.0078 9.0078 9.1045 9.1045 9.3528 9.3528 9.9813 9.9813 10.0963 10.0963 10.4152 10.4152 10.4858 10.4858 11.4956 11.4956 11.5323 11.5323 k = 0.1667 0.2999 1.0403 ( 8684 PWs) bands (ev): -68.3314 -68.3314 -68.3314 -68.3314 -38.1010 -38.1010 -38.1009 -38.1009 -36.9360 -36.9360 -36.9356 -36.9356 -36.8465 -36.8465 -36.8461 -36.8461 -17.7189 -17.7189 -4.5793 -4.5793 -2.7969 -2.7969 -2.4098 -2.4098 0.2418 0.2418 0.3715 0.3715 5.7050 5.7050 5.7703 5.7703 6.9918 6.9918 7.1948 7.1948 7.4319 7.4319 8.1722 8.1722 8.7823 8.7823 9.0041 9.0041 9.0867 9.0867 9.3205 9.3205 9.9833 9.9833 10.1013 10.1013 10.3936 10.3936 10.4522 10.4522 11.4865 11.4865 11.5213 11.5213 k = 0.1731 0.2853 1.0563 ( 8692 PWs) bands (ev): -68.3318 -68.3318 -68.3318 -68.3318 -38.1011 -38.1011 -38.1010 -38.1010 -36.9364 -36.9364 -36.9360 -36.9360 -36.8461 -36.8461 -36.8457 -36.8457 -17.7172 -17.7172 -4.5818 -4.5818 -2.8001 -2.8001 -2.4107 -2.4107 0.2378 0.2378 0.3877 0.3877 5.6869 5.6869 5.7499 5.7499 6.9773 6.9773 7.2089 7.2089 7.4236 7.4236 8.2077 8.2077 8.7699 8.7699 8.9992 8.9992 9.0716 9.0716 9.2867 9.2867 9.9820 9.9820 10.1025 10.1025 10.3730 10.3730 10.4187 10.4187 11.4767 11.4767 11.5096 11.5096 k = 0.1795 0.2706 1.0723 ( 8688 PWs) bands (ev): -68.3316 -68.3316 -68.3316 -68.3316 -38.1012 -38.1012 -38.1011 -38.1011 -36.9367 -36.9367 -36.9363 -36.9363 -36.8457 -36.8457 -36.8454 -36.8454 -17.7156 -17.7156 -4.5843 -4.5843 -2.8033 -2.8033 -2.4111 -2.4111 0.2340 0.2340 0.4031 0.4031 5.6706 5.6706 5.7295 5.7295 6.9643 6.9643 7.2242 7.2242 7.4154 7.4154 8.2442 8.2442 8.7601 8.7601 8.9946 8.9946 9.0581 9.0581 9.2544 9.2544 9.9841 9.9841 10.1032 10.1032 10.3544 10.3544 10.3892 10.3892 11.4717 11.4717 11.5021 11.5021 k = 0.1859 0.2559 1.0883 ( 8690 PWs) bands (ev): -68.3317 -68.3317 -68.3317 -68.3317 -38.1013 -38.1013 -38.1012 -38.1012 -36.9370 -36.9370 -36.9366 -36.9366 -36.8453 -36.8453 -36.8450 -36.8450 -17.7141 -17.7141 -4.5867 -4.5867 -2.8066 -2.8066 -2.4109 -2.4109 0.2302 0.2302 0.4177 0.4177 5.6554 5.6554 5.7091 5.7091 6.9518 6.9518 7.2400 7.2400 7.4071 7.4071 8.2792 8.2792 8.7519 8.7519 8.9906 8.9906 9.0464 9.0464 9.2226 9.2226 9.9830 9.9830 10.0990 10.0990 10.3357 10.3357 10.3616 10.3616 11.4661 11.4661 11.4942 11.4942 k = 0.1923 0.2413 1.1043 ( 8686 PWs) bands (ev): -68.3315 -68.3315 -68.3315 -68.3315 -38.1013 -38.1013 -38.1012 -38.1012 -36.9373 -36.9373 -36.9369 -36.9369 -36.8450 -36.8450 -36.8447 -36.8447 -17.7128 -17.7128 -4.5890 -4.5890 -2.8097 -2.8097 -2.4104 -2.4104 0.2267 0.2267 0.4314 0.4314 5.6417 5.6417 5.6898 5.6898 6.9405 6.9405 7.2560 7.2560 7.3989 7.3989 8.3131 8.3131 8.7471 8.7471 8.9873 8.9873 9.0377 9.0377 9.1913 9.1913 9.9824 9.9824 10.0902 10.0902 10.3193 10.3193 10.3400 10.3400 11.4625 11.4625 11.4886 11.4886 k = 0.1987 0.2266 1.1203 ( 8690 PWs) bands (ev): -68.3317 -68.3317 -68.3317 -68.3317 -38.1014 -38.1014 -38.1013 -38.1013 -36.9375 -36.9375 -36.9372 -36.9372 -36.8447 -36.8447 -36.8444 -36.8444 -17.7115 -17.7115 -4.5912 -4.5912 -2.8127 -2.8127 -2.4096 -2.4096 0.2233 0.2233 0.4440 0.4440 5.6294 5.6294 5.6712 5.6712 6.9302 6.9302 7.2714 7.2714 7.3911 7.3911 8.3452 8.3452 8.7451 8.7451 8.9818 8.9818 9.0307 9.0307 9.1590 9.1590 9.9809 9.9809 10.0758 10.0758 10.3022 10.3022 10.3202 10.3202 11.4584 11.4584 11.4826 11.4826 k = 0.2051 0.2119 1.1363 ( 8692 PWs) bands (ev): -68.3318 -68.3318 -68.3318 -68.3318 -38.1014 -38.1014 -38.1013 -38.1013 -36.9377 -36.9377 -36.9374 -36.9374 -36.8445 -36.8445 -36.8442 -36.8442 -17.7104 -17.7104 -4.5933 -4.5933 -2.8155 -2.8155 -2.4087 -2.4087 0.2203 0.2203 0.4554 0.4554 5.6181 5.6181 5.6543 5.6543 6.9210 6.9210 7.2858 7.2858 7.3841 7.3841 8.3750 8.3750 8.7462 8.7462 8.9774 8.9774 9.0260 9.0260 9.1283 9.1283 9.9801 9.9801 10.0589 10.0589 10.2875 10.2875 10.3033 10.3033 11.4549 11.4549 11.4773 11.4773 k = 0.2115 0.1973 1.1523 ( 8692 PWs) bands (ev): -68.3318 -68.3318 -68.3318 -68.3318 -38.1015 -38.1015 -38.1014 -38.1014 -36.9379 -36.9379 -36.9376 -36.9376 -36.8443 -36.8443 -36.8440 -36.8440 -17.7094 -17.7094 -4.5951 -4.5951 -2.8180 -2.8180 -2.4077 -2.4077 0.2175 0.2175 0.4655 0.4655 5.6080 5.6080 5.6391 5.6391 6.9130 6.9130 7.2986 7.2986 7.3784 7.3784 8.4017 8.4017 8.7514 8.7514 8.9726 8.9726 9.0233 9.0233 9.0976 9.0976 9.9783 9.9783 10.0420 10.0420 10.2775 10.2775 10.2912 10.2912 11.4508 11.4508 11.4717 11.4717 k = 0.2179 0.1826 1.1683 ( 8702 PWs) bands (ev): -68.3324 -68.3324 -68.3324 -68.3324 -38.1015 -38.1015 -38.1014 -38.1014 -36.9381 -36.9381 -36.9378 -36.9378 -36.8441 -36.8441 -36.8438 -36.8438 -17.7086 -17.7086 -4.5967 -4.5967 -2.8202 -2.8202 -2.4067 -2.4067 0.2151 0.2151 0.4742 0.4742 5.5991 5.5991 5.6261 5.6261 6.9060 6.9060 7.3089 7.3089 7.3740 7.3740 8.4241 8.4241 8.7596 8.7596 8.9667 8.9667 9.0203 9.0203 9.0657 9.0657 9.9725 9.9725 10.0229 10.0229 10.2680 10.2680 10.2798 10.2798 11.4478 11.4478 11.4673 11.4673 k = 0.2244 0.1679 1.1843 ( 8706 PWs) bands (ev): -68.3326 -68.3326 -68.3326 -68.3326 -38.1015 -38.1015 -38.1015 -38.1015 -36.9383 -36.9383 -36.9380 -36.9380 -36.8439 -36.8439 -36.8436 -36.8436 -17.7079 -17.7079 -4.5981 -4.5981 -2.8220 -2.8220 -2.4058 -2.4058 0.2130 0.2130 0.4814 0.4814 5.5911 5.5911 5.6155 5.6155 6.9003 6.9003 7.3167 7.3167 7.3713 7.3713 8.4427 8.4427 8.7716 8.7716 8.9621 8.9621 9.0179 9.0179 9.0363 9.0363 9.9698 9.9698 10.0052 10.0052 10.2636 10.2636 10.2724 10.2724 11.4446 11.4446 11.4628 11.4628 k = 0.2308 0.1533 1.2004 ( 8702 PWs) bands (ev): -68.3324 -68.3324 -68.3324 -68.3324 -38.1016 -38.1016 -38.1015 -38.1015 -36.9384 -36.9384 -36.9381 -36.9381 -36.8438 -36.8438 -36.8435 -36.8435 -17.7073 -17.7073 -4.5991 -4.5991 -2.8235 -2.8235 -2.4050 -2.4050 0.2115 0.2115 0.4871 0.4871 5.5847 5.5847 5.6076 5.6076 6.8959 6.8959 7.3218 7.3218 7.3705 7.3705 8.4568 8.4568 8.7884 8.7884 8.9591 8.9591 9.0071 9.0071 9.0193 9.0193 9.9662 9.9662 9.9919 9.9919 10.2627 10.2627 10.2687 10.2687 11.4432 11.4432 11.4604 11.4604 k = 0.2372 0.1386 1.2164 ( 8708 PWs) bands (ev): -68.3327 -68.3327 -68.3327 -68.3327 -38.1016 -38.1016 -38.1015 -38.1015 -36.9384 -36.9384 -36.9382 -36.9382 -36.8437 -36.8437 -36.8434 -36.8434 -17.7069 -17.7069 -4.5999 -4.5999 -2.8245 -2.8245 -2.4044 -2.4044 0.2103 0.2103 0.4912 0.4912 5.5798 5.5798 5.6022 5.6022 6.8928 6.8928 7.3246 7.3246 7.3708 7.3708 8.4666 8.4666 8.8058 8.8058 8.9556 8.9556 8.9807 8.9807 9.0190 9.0190 9.9619 9.9619 9.9829 9.9829 10.2575 10.2575 10.2614 10.2614 11.4410 11.4410 11.4576 11.4576 k = 0.2436 0.1239 1.2324 ( 8708 PWs) bands (ev): -68.3327 -68.3327 -68.3327 -68.3327 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9383 -36.9383 -36.8437 -36.8437 -36.8434 -36.8434 -17.7067 -17.7067 -4.6004 -4.6004 -2.8252 -2.8252 -2.4041 -2.4041 0.2096 0.2096 0.4937 0.4937 5.5768 5.5768 5.5991 5.5991 6.8910 6.8910 7.3258 7.3258 7.3714 7.3714 8.4725 8.4725 8.8206 8.8206 8.9539 8.9539 8.9618 8.9618 9.0192 9.0192 9.9576 9.9576 9.9771 9.9771 10.2564 10.2564 10.2585 10.2585 11.4411 11.4411 11.4571 11.4571 k = 0.2500 0.1093 1.2484 ( 8716 PWs) bands (ev): -68.3332 -68.3332 -68.3332 -68.3332 -38.1016 -38.1016 -38.1016 -38.1016 -36.9385 -36.9385 -36.9383 -36.9383 -36.8437 -36.8437 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2093 0.2093 0.4946 0.4946 5.5754 5.5754 5.5977 5.5977 6.8903 6.8903 7.3259 7.3259 7.3715 7.3715 8.4743 8.4743 8.8256 8.8256 8.9523 8.9523 8.9540 8.9540 9.0180 9.0180 9.9544 9.9544 9.9739 9.9739 10.2561 10.2561 10.2572 10.2572 11.4385 11.4385 11.4544 11.4544 k = 0.2500 0.1093 1.2484 ( 8716 PWs) bands (ev): -68.3332 -68.3332 -68.3332 -68.3332 -38.1016 -38.1016 -38.1016 -38.1016 -36.9385 -36.9385 -36.9383 -36.9383 -36.8437 -36.8437 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2093 0.2093 0.4946 0.4946 5.5754 5.5754 5.5977 5.5977 6.8903 6.8903 7.3259 7.3259 7.3715 7.3715 8.4743 8.4743 8.8256 8.8256 8.9523 8.9523 8.9540 8.9540 9.0180 9.0180 9.9544 9.9544 9.9739 9.9739 10.2561 10.2561 10.2572 10.2572 11.4385 11.4385 11.4544 11.4544 k = 0.2679 0.1171 1.2398 ( 8714 PWs) bands (ev): -68.3332 -68.3332 -68.3330 -68.3330 -38.1016 -38.1016 -38.1016 -38.1016 -36.9385 -36.9385 -36.9383 -36.9383 -36.8437 -36.8437 -36.8434 -36.8434 -17.7066 -17.7066 -4.6005 -4.6005 -2.8254 -2.8254 -2.4040 -2.4040 0.2094 0.2094 0.4944 0.4944 5.5638 5.5638 5.6104 5.6104 6.8902 6.8902 7.3087 7.3087 7.3883 7.3883 8.4751 8.4751 8.8235 8.8235 8.9455 8.9455 8.9624 8.9624 9.0184 9.0184 9.9462 9.9462 9.9847 9.9847 10.2563 10.2563 10.2576 10.2576 11.4366 11.4366 11.4563 11.4563 k = 0.2857 0.1249 1.2313 ( 8709 PWs) bands (ev): -68.3332 -68.3332 -68.3324 -68.3324 -38.1016 -38.1016 -38.1016 -38.1016 -36.9385 -36.9385 -36.9383 -36.9383 -36.8437 -36.8437 -36.8434 -36.8434 -17.7067 -17.7067 -4.6005 -4.6005 -2.8253 -2.8253 -2.4040 -2.4040 0.2095 0.2095 0.4940 0.4940 5.5466 5.5466 5.6311 5.6311 6.8901 6.8901 7.2791 7.2791 7.4161 7.4161 8.4774 8.4774 8.8163 8.8163 8.9401 8.9401 8.9704 8.9704 9.0198 9.0198 9.9325 9.9325 10.0001 10.0001 10.2579 10.2579 10.2621 10.2621 11.4359 11.4359 11.4620 11.4620 k = 0.3036 0.1327 1.2228 ( 8705 PWs) bands (ev): -68.3329 -68.3329 -68.3322 -68.3322 -38.1016 -38.1016 -38.1016 -38.1016 -36.9384 -36.9384 -36.9383 -36.9383 -36.8437 -36.8437 -36.8434 -36.8434 -17.7067 -17.7067 -4.6004 -4.6004 -2.8251 -2.8251 -2.4041 -2.4041 0.2098 0.2098 0.4934 0.4934 5.5301 5.5301 5.6530 5.6530 6.8900 6.8900 7.2478 7.2478 7.4444 7.4444 8.4809 8.4809 8.8048 8.8048 8.9374 8.9374 8.9808 8.9808 9.0224 9.0224 9.9197 9.9197 10.0166 10.0166 10.2600 10.2600 10.2622 10.2622 11.4323 11.4323 11.4675 11.4675 k = 0.3214 0.1405 1.2143 ( 8708 PWs) bands (ev): -68.3331 -68.3331 -68.3323 -68.3323 -38.1016 -38.1016 -38.1015 -38.1015 -36.9384 -36.9384 -36.9383 -36.9383 -36.8437 -36.8437 -36.8434 -36.8434 -17.7068 -17.7068 -4.6002 -4.6002 -2.8249 -2.8249 -2.4042 -2.4042 0.2102 0.2102 0.4923 0.4923 5.5151 5.5151 5.6753 5.6753 6.8897 6.8897 7.2165 7.2165 7.4713 7.4713 8.4852 8.4852 8.7884 8.7884 8.9372 8.9372 8.9899 8.9899 9.0242 9.0242 9.9073 9.9073 10.0332 10.0332 10.2579 10.2579 10.2605 10.2605 11.4277 11.4277 11.4734 11.4734 k = 0.3393 0.1483 1.2058 ( 8700 PWs) bands (ev): -68.3330 -68.3330 -68.3314 -68.3314 -38.1016 -38.1016 -38.1015 -38.1015 -36.9384 -36.9384 -36.9383 -36.9383 -36.8438 -36.8438 -36.8434 -36.8434 -17.7069 -17.7069 -4.6000 -4.6000 -2.8246 -2.8246 -2.4044 -2.4044 0.2108 0.2108 0.4908 0.4908 5.5020 5.5020 5.6976 5.6976 6.8896 6.8896 7.1863 7.1863 7.4962 7.4962 8.4902 8.4902 8.7712 8.7712 8.9400 8.9400 8.9992 8.9992 9.0281 9.0281 9.8981 9.8981 10.0494 10.0494 10.2609 10.2609 10.2636 10.2636 11.4248 11.4248 11.4771 11.4771 k = 0.3571 0.1561 1.1973 ( 8701 PWs) bands (ev): -68.3332 -68.3332 -68.3313 -68.3313 -38.1017 -38.1017 -38.1014 -38.1014 -36.9384 -36.9384 -36.9382 -36.9382 -36.8438 -36.8438 -36.8434 -36.8434 -17.7070 -17.7070 -4.5997 -4.5997 -2.8243 -2.8243 -2.4046 -2.4046 0.2116 0.2116 0.4889 0.4889 5.4909 5.4909 5.7196 5.7196 6.8893 6.8893 7.1575 7.1575 7.5185 7.5185 8.4947 8.4947 8.7507 8.7507 8.9434 8.9434 9.0067 9.0067 9.0325 9.0325 9.8892 9.8892 10.0633 10.0633 10.2600 10.2600 10.2670 10.2670 11.4197 11.4197 11.4789 11.4789 k = 0.3750 0.1639 1.1887 ( 8702 PWs) bands (ev): -68.3332 -68.3332 -68.3314 -68.3314 -38.1017 -38.1017 -38.1014 -38.1014 -36.9384 -36.9384 -36.9381 -36.9381 -36.8439 -36.8439 -36.8434 -36.8434 -17.7072 -17.7072 -4.5995 -4.5995 -2.8239 -2.8239 -2.4049 -2.4049 0.2126 0.2126 0.4866 0.4866 5.4820 5.4820 5.7410 5.7410 6.8891 6.8891 7.1305 7.1305 7.5384 7.5384 8.4984 8.4984 8.7296 8.7296 8.9463 8.9463 9.0151 9.0151 9.0381 9.0381 9.8793 9.8793 10.0783 10.0783 10.2595 10.2595 10.2691 10.2691 11.4148 11.4148 11.4811 11.4811 k = 0.3929 0.1717 1.1802 ( 8698 PWs) bands (ev): -68.3334 -68.3334 -68.3307 -68.3307 -38.1017 -38.1017 -38.1013 -38.1013 -36.9385 -36.9385 -36.9380 -36.9380 -36.8439 -36.8439 -36.8434 -36.8434 -17.7073 -17.7073 -4.5991 -4.5991 -2.8234 -2.8234 -2.4052 -2.4052 0.2138 0.2138 0.4838 0.4838 5.4756 5.4756 5.7614 5.7614 6.8890 6.8890 7.1060 7.1060 7.5552 7.5552 8.5007 8.5007 8.7093 8.7093 8.9529 8.9529 9.0230 9.0230 9.0438 9.0438 9.8729 9.8729 10.0910 10.0910 10.2604 10.2604 10.2698 10.2698 11.4146 11.4146 11.4838 11.4838 k = 0.4107 0.1795 1.1717 ( 8701 PWs) bands (ev): -68.3333 -68.3333 -68.3311 -68.3311 -38.1018 -38.1018 -38.1013 -38.1013 -36.9385 -36.9385 -36.9379 -36.9379 -36.8440 -36.8440 -36.8434 -36.8434 -17.7075 -17.7075 -4.5987 -4.5987 -2.8228 -2.8228 -2.4055 -2.4055 0.2152 0.2152 0.4806 0.4806 5.4716 5.4716 5.7804 5.7804 6.8891 6.8891 7.0841 7.0841 7.5690 7.5690 8.4995 8.4995 8.6911 8.6911 8.9556 8.9556 9.0309 9.0309 9.0506 9.0506 9.8636 9.8636 10.1026 10.1026 10.2598 10.2598 10.2708 10.2708 11.4109 11.4109 11.4872 11.4872 k = 0.4286 0.1873 1.1632 ( 8699 PWs) bands (ev): -68.3337 -68.3337 -68.3304 -68.3304 -38.1018 -38.1018 -38.1012 -38.1012 -36.9386 -36.9386 -36.9377 -36.9377 -36.8441 -36.8441 -36.8434 -36.8434 -17.7077 -17.7077 -4.5983 -4.5983 -2.8222 -2.8222 -2.4059 -2.4059 0.2170 0.2170 0.4769 0.4769 5.4701 5.4701 5.7973 5.7973 6.8896 6.8896 7.0659 7.0659 7.5795 7.5795 8.4947 8.4947 8.6807 8.6807 8.9605 8.9605 9.0361 9.0361 9.0579 9.0579 9.8587 9.8587 10.1127 10.1127 10.2586 10.2586 10.2713 10.2713 11.4099 11.4099 11.4868 11.4868 k = 0.4464 0.1951 1.1547 ( 8705 PWs) bands (ev): -68.3341 -68.3341 -68.3307 -68.3307 -38.1019 -38.1019 -38.1011 -38.1011 -36.9386 -36.9386 -36.9376 -36.9376 -36.8442 -36.8442 -36.8434 -36.8434 -17.7080 -17.7080 -4.5978 -4.5978 -2.8215 -2.8215 -2.4063 -2.4063 0.2188 0.2188 0.4728 0.4728 5.4704 5.4704 5.8121 5.8121 6.8902 6.8902 7.0513 7.0513 7.5862 7.5862 8.4856 8.4856 8.6685 8.6685 8.9648 8.9648 9.0421 9.0421 9.0635 9.0635 9.8535 9.8535 10.1184 10.1184 10.2592 10.2592 10.2740 10.2740 11.4058 11.4058 11.4895 11.4895 k = 0.4643 0.2029 1.1461 ( 8712 PWs) bands (ev): -68.3341 -68.3341 -68.3315 -68.3315 -38.1020 -38.1020 -38.1010 -38.1010 -36.9387 -36.9387 -36.9374 -36.9374 -36.8442 -36.8442 -36.8435 -36.8435 -17.7082 -17.7082 -4.5973 -4.5973 -2.8208 -2.8208 -2.4068 -2.4068 0.2208 0.2208 0.4684 0.4684 5.4733 5.4733 5.8243 5.8243 6.8909 6.8909 7.0407 7.0407 7.5899 7.5899 8.4718 8.4718 8.6580 8.6580 8.9692 8.9692 9.0470 9.0470 9.0721 9.0721 9.8478 9.8478 10.1258 10.1258 10.2568 10.2568 10.2775 10.2775 11.4046 11.4046 11.4900 11.4900 k = 0.4821 0.2108 1.1376 ( 8721 PWs) bands (ev): -68.3345 -68.3345 -68.3321 -68.3321 -38.1021 -38.1021 -38.1010 -38.1010 -36.9388 -36.9388 -36.9373 -36.9373 -36.8444 -36.8444 -36.8435 -36.8435 -17.7085 -17.7085 -4.5967 -4.5967 -2.8200 -2.8200 -2.4073 -2.4073 0.2230 0.2230 0.4636 0.4636 5.4782 5.4782 5.8336 5.8336 6.8921 6.8921 7.0349 7.0349 7.5898 7.5898 8.4539 8.4539 8.6531 8.6531 8.9717 8.9717 9.0498 9.0498 9.0798 9.0798 9.8481 9.8481 10.1315 10.1315 10.2555 10.2555 10.2788 10.2788 11.4003 11.4003 11.4904 11.4904 k = 0.5000 0.2186 1.1291 ( 8708 PWs) bands (ev): -68.3333 -68.3333 -68.3318 -68.3318 -38.1021 -38.1021 -38.1009 -38.1009 -36.9388 -36.9388 -36.9371 -36.9371 -36.8444 -36.8444 -36.8435 -36.8435 -17.7088 -17.7088 -4.5961 -4.5961 -2.8191 -2.8191 -2.4078 -2.4078 0.2252 0.2252 0.4588 0.4588 5.4855 5.4855 5.8404 5.8404 6.8938 6.8938 7.0335 7.0335 7.5865 7.5865 8.4345 8.4345 8.6540 8.6540 8.9777 8.9777 9.0585 9.0585 9.0945 9.0945 9.8493 9.8493 10.1388 10.1388 10.2553 10.2553 10.2828 10.2828 11.4024 11.4024 11.4912 11.4912 k = 0.5000 0.2186 1.1291 ( 8708 PWs) bands (ev): -68.3333 -68.3333 -68.3318 -68.3318 -38.1021 -38.1021 -38.1009 -38.1009 -36.9388 -36.9388 -36.9371 -36.9371 -36.8444 -36.8444 -36.8435 -36.8435 -17.7088 -17.7088 -4.5961 -4.5961 -2.8191 -2.8191 -2.4078 -2.4078 0.2252 0.2252 0.4588 0.4588 5.4855 5.4855 5.8404 5.8404 6.8938 6.8938 7.0335 7.0335 7.5865 7.5865 8.4345 8.4345 8.6540 8.6540 8.9777 8.9777 9.0585 9.0585 9.0945 9.0945 9.8493 9.8493 10.1388 10.1388 10.2553 10.2553 10.2828 10.2828 11.4024 11.4024 11.4912 11.4912 k = 0.5000 0.2186 1.1065 ( 8716 PWs) bands (ev): -68.3341 -68.3341 -68.3319 -68.3319 -38.1023 -38.1023 -38.1006 -38.1006 -36.9391 -36.9391 -36.9365 -36.9365 -36.8448 -36.8448 -36.8436 -36.8436 -17.7097 -17.7097 -4.5943 -4.5943 -2.8165 -2.8165 -2.4094 -2.4094 0.2316 0.2316 0.4443 0.4443 5.5093 5.5093 5.8553 5.8553 6.8987 6.8987 7.0364 7.0364 7.5701 7.5701 8.3783 8.3783 8.6548 8.6548 8.9834 8.9834 9.0652 9.0652 9.1270 9.1270 9.8569 9.8569 10.1482 10.1482 10.2523 10.2523 10.2850 10.2850 11.4103 11.4103 11.4891 11.4891 k = 0.5000 0.2186 1.0839 ( 8708 PWs) bands (ev): -68.3327 -68.3327 -68.3325 -68.3325 -38.1026 -38.1026 -38.1002 -38.1002 -36.9393 -36.9393 -36.9359 -36.9359 -36.8451 -36.8451 -36.8437 -36.8437 -17.7108 -17.7108 -4.5921 -4.5921 -2.8133 -2.8133 -2.4113 -2.4113 0.2390 0.2390 0.4279 0.4279 5.5365 5.5365 5.8734 5.8734 6.9045 6.9045 7.0394 7.0394 7.5530 7.5530 8.3201 8.3201 8.6585 8.6585 8.9865 8.9865 9.0792 9.0792 9.1651 9.1651 9.8622 9.8622 10.1712 10.1712 10.2495 10.2495 10.2909 10.2909 11.4142 11.4142 11.4920 11.4920 k = 0.5000 0.2186 1.0614 ( 8712 PWs) bands (ev): -68.3330 -68.3330 -68.3326 -68.3326 -38.1029 -38.1029 -38.0998 -38.0998 -36.9395 -36.9395 -36.9351 -36.9351 -36.8455 -36.8455 -36.8439 -36.8439 -17.7120 -17.7120 -4.5897 -4.5897 -2.8096 -2.8096 -2.4135 -2.4135 0.2470 0.2470 0.4095 0.4095 5.5668 5.5668 5.8933 5.8933 6.9105 6.9105 7.0428 7.0428 7.5328 7.5328 8.2620 8.2620 8.6635 8.6635 8.9855 8.9855 9.0895 9.0895 9.2041 9.2041 9.8682 9.8682 10.1862 10.1862 10.2468 10.2468 10.2980 10.2980 11.4214 11.4214 11.4908 11.4908 k = 0.5000 0.2186 1.0388 ( 8714 PWs) bands (ev): -68.3330 -68.3330 -68.3329 -68.3329 -38.1032 -38.1032 -38.0994 -38.0994 -36.9399 -36.9399 -36.9343 -36.9343 -36.8460 -36.8460 -36.8440 -36.8440 -17.7133 -17.7133 -4.5869 -4.5869 -2.8055 -2.8055 -2.4159 -2.4159 0.2558 0.2558 0.3895 0.3895 5.5997 5.5997 5.9156 5.9156 6.9167 6.9167 7.0465 7.0465 7.5114 7.5114 8.2037 8.2037 8.6692 8.6692 8.9834 8.9834 9.1021 9.1021 9.2451 9.2451 9.8749 9.8749 10.2055 10.2055 10.2439 10.2439 10.3067 10.3067 11.4272 11.4272 11.4900 11.4900 k = 0.5000 0.2186 1.0162 ( 8716 PWs) bands (ev): -68.3331 -68.3331 -68.3330 -68.3330 -38.1035 -38.1035 -38.0989 -38.0989 -36.9402 -36.9402 -36.9334 -36.9334 -36.8464 -36.8464 -36.8441 -36.8441 -17.7148 -17.7148 -4.5839 -4.5839 -2.8008 -2.8008 -2.4186 -2.4186 0.2649 0.2649 0.3680 0.3680 5.6351 5.6351 5.9405 5.9405 6.9227 6.9227 7.0504 7.0504 7.4889 7.4889 8.1454 8.1454 8.6754 8.6754 8.9794 8.9794 9.1169 9.1169 9.2858 9.2858 9.8819 9.8819 10.2253 10.2253 10.2443 10.2443 10.3147 10.3147 11.4356 11.4356 11.4897 11.4897 k = 0.5000 0.2186 0.9936 ( 8710 PWs) bands (ev): -68.3335 -68.3335 -68.3319 -68.3319 -38.1039 -38.1039 -38.0984 -38.0984 -36.9406 -36.9406 -36.9324 -36.9324 -36.8469 -36.8469 -36.8443 -36.8443 -17.7164 -17.7164 -4.5805 -4.5805 -2.7955 -2.7955 -2.4215 -2.4215 0.2743 0.2743 0.3456 0.3456 5.6734 5.6734 5.9681 5.9681 6.9281 6.9281 7.0545 7.0545 7.4660 7.4660 8.0877 8.0877 8.6824 8.6824 8.9783 8.9783 9.1347 9.1347 9.3298 9.3298 9.8873 9.8873 10.2359 10.2359 10.2519 10.2519 10.3289 10.3289 11.4487 11.4487 11.4903 11.4903 k = 0.5000 0.2186 0.9710 ( 8712 PWs) bands (ev): -68.3339 -68.3339 -68.3317 -68.3317 -38.1043 -38.1043 -38.0978 -38.0978 -36.9411 -36.9411 -36.9313 -36.9313 -36.8475 -36.8475 -36.8444 -36.8444 -17.7181 -17.7181 -4.5768 -4.5768 -2.7897 -2.7897 -2.4247 -2.4247 0.2835 0.2835 0.3224 0.3224 5.7135 5.7135 5.9975 5.9975 6.9325 6.9325 7.0590 7.0590 7.4429 7.4429 8.0305 8.0305 8.6894 8.6894 8.9723 8.9723 9.1531 9.1531 9.3707 9.3707 9.8951 9.8951 10.2293 10.2293 10.2728 10.2728 10.3461 10.3461 11.4643 11.4643 11.4912 11.4912 k = 0.5000 0.2186 0.9484 ( 8706 PWs) bands (ev): -68.3348 -68.3348 -68.3302 -68.3302 -38.1048 -38.1048 -38.0972 -38.0972 -36.9415 -36.9415 -36.9302 -36.9302 -36.8480 -36.8480 -36.8446 -36.8446 -17.7200 -17.7200 -4.5729 -4.5729 -2.7833 -2.7833 -2.4282 -2.4282 0.2879 0.2879 0.3033 0.3033 5.7539 5.7539 6.0300 6.0300 6.9355 6.9355 7.0637 7.0637 7.4213 7.4213 7.9747 7.9747 8.6988 8.6988 8.9668 8.9668 9.1734 9.1734 9.4155 9.4155 9.9029 9.9029 10.2255 10.2255 10.3017 10.3017 10.3648 10.3648 11.4716 11.4716 11.4964 11.4964 k = 0.5000 0.2186 0.9259 ( 8718 PWs) bands (ev): -68.3359 -68.3359 -68.3305 -68.3305 -38.1052 -38.1052 -38.0966 -38.0966 -36.9421 -36.9421 -36.9289 -36.9289 -36.8486 -36.8486 -36.8448 -36.8448 -17.7219 -17.7219 -4.5686 -4.5686 -2.7763 -2.7763 -2.4319 -2.4319 0.2691 0.2691 0.3066 0.3066 5.7957 5.7957 6.0637 6.0637 6.9360 6.9360 7.0682 7.0682 7.4007 7.4007 7.9197 7.9197 8.7085 8.7085 8.9563 8.9563 9.1950 9.1950 9.4572 9.4572 9.9115 9.9115 10.2158 10.2158 10.3261 10.3261 10.3811 10.3811 11.4777 11.4777 11.5000 11.5000 k = 0.5000 0.2186 0.9033 ( 8712 PWs) bands (ev): -68.3364 -68.3364 -68.3294 -68.3294 -38.1057 -38.1057 -38.0960 -38.0960 -36.9426 -36.9426 -36.9276 -36.9276 -36.8492 -36.8492 -36.8450 -36.8450 -17.7240 -17.7240 -4.5641 -4.5641 -2.7686 -2.7686 -2.4359 -2.4359 0.2440 0.2440 0.3155 0.3155 5.8384 5.8384 6.1002 6.1002 6.9340 6.9340 7.0731 7.0731 7.3834 7.3834 7.8666 7.8666 8.7219 8.7219 8.9462 8.9462 9.2161 9.2161 9.4996 9.4996 9.9185 9.9185 10.2108 10.2108 10.3595 10.3595 10.4070 10.4070 11.4834 11.4834 11.5150 11.5150 k = 0.5000 0.2186 0.8807 ( 8704 PWs) bands (ev): -68.3367 -68.3367 -68.3283 -68.3283 -38.1063 -38.1063 -38.0953 -38.0953 -36.9432 -36.9432 -36.9263 -36.9263 -36.8498 -36.8498 -36.8452 -36.8452 -17.7262 -17.7262 -4.5593 -4.5593 -2.7604 -2.7604 -2.4400 -2.4400 0.2182 0.2182 0.3246 0.3246 5.8811 5.8811 6.1384 6.1384 6.9287 6.9287 7.0782 7.0782 7.3696 7.3696 7.8148 7.8148 8.7378 8.7378 8.9341 8.9341 9.2428 9.2428 9.5414 9.5414 9.9294 9.9294 10.2066 10.2066 10.3952 10.3952 10.4336 10.4336 11.4854 11.4854 11.5311 11.5311 k = 0.5000 0.2186 0.8581 ( 8694 PWs) bands (ev): -68.3358 -68.3358 -68.3281 -68.3281 -38.1068 -38.1068 -38.0945 -38.0945 -36.9439 -36.9439 -36.9248 -36.9248 -36.8504 -36.8504 -36.8454 -36.8454 -17.7285 -17.7285 -4.5543 -4.5543 -2.7516 -2.7516 -2.4444 -2.4444 0.1921 0.1921 0.3333 0.3333 5.9247 5.9247 6.1784 6.1784 6.9191 6.9191 7.0832 7.0832 7.3598 7.3598 7.7652 7.7652 8.7555 8.7555 8.9231 8.9231 9.2671 9.2671 9.5831 9.5831 9.9434 9.9434 10.2030 10.2030 10.4301 10.4301 10.4602 10.4602 11.4847 11.4847 11.5583 11.5583 k = 0.5000 0.2186 0.8355 ( 8694 PWs) bands (ev): -68.3363 -68.3363 -68.3277 -68.3277 -38.1074 -38.1074 -38.0938 -38.0938 -36.9445 -36.9445 -36.9233 -36.9233 -36.8510 -36.8510 -36.8456 -36.8456 -17.7309 -17.7309 -4.5490 -4.5490 -2.7422 -2.7422 -2.4490 -2.4490 0.1661 0.1661 0.3413 0.3413 5.9668 5.9668 6.2204 6.2204 6.9053 6.9053 7.0879 7.0879 7.3547 7.3547 7.7174 7.7174 8.7715 8.7715 8.9087 8.9087 9.2926 9.2926 9.6243 9.6243 9.9550 9.9550 10.1988 10.1988 10.4653 10.4653 10.4914 10.4914 11.4831 11.4831 11.5823 11.5823 k = 0.5000 0.2186 0.8130 ( 8692 PWs) bands (ev): -68.3359 -68.3359 -68.3279 -68.3279 -38.1080 -38.1080 -38.0930 -38.0930 -36.9453 -36.9453 -36.9218 -36.9218 -36.8517 -36.8517 -36.8458 -36.8458 -17.7334 -17.7334 -4.5435 -4.5435 -2.7321 -2.7321 -2.4537 -2.4537 0.1402 0.1402 0.3485 0.3485 6.0075 6.0075 6.2642 6.2642 6.8870 6.8870 7.0925 7.0925 7.3535 7.3535 7.6733 7.6733 8.7895 8.7895 8.8923 8.8923 9.3177 9.3177 9.6676 9.6676 9.9701 9.9701 10.1992 10.1992 10.4978 10.4978 10.5252 10.5252 11.4813 11.4813 11.6090 11.6090 k = 0.5000 0.2186 0.7904 ( 8694 PWs) bands (ev): -68.3351 -68.3351 -68.3291 -68.3291 -38.1087 -38.1087 -38.0922 -38.0922 -36.9461 -36.9461 -36.9201 -36.9201 -36.8523 -36.8523 -36.8460 -36.8460 -17.7359 -17.7359 -4.5377 -4.5377 -2.7215 -2.7215 -2.4586 -2.4586 0.1148 0.1148 0.3547 0.3547 6.0478 6.0478 6.3097 6.3097 6.8648 6.8648 7.0965 7.0965 7.3564 7.3564 7.6307 7.6307 8.8107 8.8107 8.8765 8.8765 9.3398 9.3398 9.7081 9.7081 9.9862 9.9862 10.1985 10.1985 10.5279 10.5279 10.5618 10.5618 11.4778 11.4778 11.6413 11.6413 k = 0.5000 0.2186 0.7678 ( 8698 PWs) bands (ev): -68.3359 -68.3359 -68.3289 -68.3289 -38.1093 -38.1093 -38.0913 -38.0913 -36.9470 -36.9470 -36.9185 -36.9185 -36.8529 -36.8529 -36.8462 -36.8462 -17.7385 -17.7385 -4.5318 -4.5318 -2.7103 -2.7103 -2.4636 -2.4636 0.0898 0.0898 0.3598 0.3598 6.0861 6.0861 6.3568 6.3568 6.8396 6.8396 7.1003 7.1003 7.3639 7.3639 7.5905 7.5905 8.8310 8.8310 8.8592 8.8592 9.3673 9.3673 9.7483 9.7483 9.9959 9.9959 10.1942 10.1942 10.5617 10.5617 10.6045 10.6045 11.4752 11.4752 11.6738 11.6738 k = 0.5000 0.2186 0.7452 ( 8694 PWs) bands (ev): -68.3366 -68.3366 -68.3277 -68.3277 -38.1100 -38.1100 -38.0905 -38.0905 -36.9478 -36.9478 -36.9169 -36.9169 -36.8535 -36.8535 -36.8464 -36.8464 -17.7412 -17.7412 -4.5257 -4.5257 -2.6985 -2.6985 -2.4686 -2.4686 0.0655 0.0655 0.3636 0.3636 6.1226 6.1226 6.4057 6.4057 6.8121 6.8121 7.1044 7.1044 7.3753 7.3753 7.5531 7.5531 8.8382 8.8382 8.8534 8.8534 9.3990 9.3990 9.7880 9.7880 10.0103 10.0103 10.1913 10.1913 10.5991 10.5991 10.6509 10.6509 11.4744 11.4744 11.7100 11.7100 k = 0.5000 0.2186 0.7226 ( 8700 PWs) bands (ev): -68.3371 -68.3371 -68.3279 -68.3279 -38.1107 -38.1107 -38.0897 -38.0897 -36.9487 -36.9487 -36.9152 -36.9152 -36.8541 -36.8541 -36.8466 -36.8466 -17.7439 -17.7439 -4.5194 -4.5194 -2.6862 -2.6862 -2.4737 -2.4737 0.0419 0.0419 0.3662 0.3662 6.1565 6.1565 6.4558 6.4558 6.7828 6.7828 7.1063 7.1063 7.3896 7.3896 7.5185 7.5185 8.8180 8.8180 8.8766 8.8766 9.4326 9.4326 9.8257 9.8257 10.0228 10.0228 10.1891 10.1891 10.6287 10.6287 10.6982 10.6982 11.4682 11.4682 11.7474 11.7474 k = 0.5000 0.2186 0.7000 ( 8692 PWs) bands (ev): -68.3366 -68.3366 -68.3277 -68.3277 -38.1114 -38.1114 -38.0888 -38.0888 -36.9496 -36.9496 -36.9134 -36.9134 -36.8547 -36.8547 -36.8468 -36.8468 -17.7467 -17.7467 -4.5130 -4.5130 -2.6735 -2.6735 -2.4787 -2.4787 0.0191 0.0191 0.3674 0.3674 6.1891 6.1891 6.5071 6.5071 6.7520 6.7520 7.1093 7.1093 7.4058 7.4058 7.4880 7.4880 8.7990 8.7990 8.9047 8.9047 9.4606 9.4606 9.8657 9.8657 10.0387 10.0387 10.1893 10.1893 10.6681 10.6681 10.7452 10.7452 11.4650 11.4650 11.7923 11.7923 k = 0.5000 0.2186 0.6775 ( 8680 PWs) bands (ev): -68.3357 -68.3357 -68.3273 -68.3273 -38.1121 -38.1121 -38.0880 -38.0880 -36.9506 -36.9506 -36.9116 -36.9116 -36.8553 -36.8553 -36.8470 -36.8470 -17.7495 -17.7495 -4.5065 -4.5065 -2.6604 -2.6604 -2.4835 -2.4835 -0.0028 -0.0028 0.3670 0.3670 6.2194 6.2194 6.5592 6.5592 6.7207 6.7207 7.1122 7.1122 7.4237 7.4237 7.4600 7.4600 8.7797 8.7797 8.9337 8.9337 9.4902 9.4902 9.9035 9.9035 10.0608 10.0608 10.1904 10.1904 10.7107 10.7107 10.7910 10.7910 11.4637 11.4637 11.8399 11.8399 k = 0.5000 0.2186 0.6549 ( 8688 PWs) bands (ev): -68.3365 -68.3365 -68.3275 -68.3275 -38.1128 -38.1128 -38.0871 -38.0871 -36.9516 -36.9516 -36.9099 -36.9099 -36.8558 -36.8558 -36.8472 -36.8472 -17.7523 -17.7523 -4.4999 -4.4999 -2.6471 -2.6471 -2.4880 -2.4880 -0.0238 -0.0238 0.3650 0.3650 6.2466 6.2466 6.6102 6.6102 6.6909 6.6909 7.1140 7.1140 7.4326 7.4326 7.4449 7.4449 8.7576 8.7576 8.9596 8.9596 9.5152 9.5152 9.9389 9.9389 10.0758 10.0758 10.1909 10.1909 10.7525 10.7525 10.8328 10.8328 11.4592 11.4592 11.8880 11.8880 k = 0.5000 0.2186 0.6323 ( 8692 PWs) bands (ev): -68.3372 -68.3372 -68.3273 -68.3273 -38.1135 -38.1135 -38.0863 -38.0863 -36.9526 -36.9526 -36.9082 -36.9082 -36.8563 -36.8563 -36.8474 -36.8474 -17.7551 -17.7551 -4.4932 -4.4932 -2.6338 -2.6338 -2.4921 -2.4921 -0.0438 -0.0438 0.3615 0.3615 6.2713 6.2713 6.6378 6.6378 6.6855 6.6855 7.1158 7.1158 7.4102 7.4102 7.4653 7.4653 8.7339 8.7339 8.9876 8.9876 9.5413 9.5413 9.9727 9.9727 10.0926 10.0926 10.1937 10.1937 10.7975 10.7975 10.8731 10.8731 11.4552 11.4552 11.9375 11.9375 k = 0.5000 0.2186 0.6097 ( 8684 PWs) bands (ev): -68.3375 -68.3375 -68.3262 -68.3262 -38.1142 -38.1142 -38.0854 -38.0854 -36.9536 -36.9536 -36.9064 -36.9064 -36.8568 -36.8568 -36.8476 -36.8476 -17.7580 -17.7580 -4.4865 -4.4865 -2.6206 -2.6206 -2.4953 -2.4953 -0.0628 -0.0628 0.3563 0.3563 6.2941 6.2941 6.6147 6.6147 6.7324 6.7324 7.1179 7.1179 7.3900 7.3900 7.4882 7.4882 8.7118 8.7118 9.0170 9.0170 9.5696 9.5696 10.0062 10.0062 10.1125 10.1125 10.1988 10.1988 10.8466 10.8466 10.9108 10.9108 11.4518 11.4518 11.9915 11.9915 k = 0.5000 0.2186 0.5871 ( 8678 PWs) bands (ev): -68.3374 -68.3374 -68.3257 -68.3257 -38.1149 -38.1149 -38.0845 -38.0845 -36.9547 -36.9547 -36.9046 -36.9046 -36.8572 -36.8572 -36.8478 -36.8478 -17.7608 -17.7608 -4.4798 -4.4798 -2.6081 -2.6081 -2.4974 -2.4974 -0.0807 -0.0807 0.3495 0.3495 6.3145 6.3145 6.5838 6.5838 6.7880 6.7880 7.1190 7.1190 7.3722 7.3722 7.5117 7.5117 8.6912 8.6912 9.0472 9.0472 9.5941 9.5941 10.0381 10.0381 10.1333 10.1333 10.2072 10.2072 10.8955 10.8955 10.9420 10.9420 11.4476 11.4476 12.0477 12.0477 k = 0.5000 0.2186 0.5646 ( 8678 PWs) bands (ev): -68.3377 -68.3377 -68.3255 -68.3255 -38.1157 -38.1157 -38.0837 -38.0837 -36.9557 -36.9557 -36.9029 -36.9029 -36.8577 -36.8577 -36.8480 -36.8480 -17.7636 -17.7636 -4.4731 -4.4731 -2.5967 -2.5967 -2.4978 -2.4978 -0.0976 -0.0976 0.3411 0.3411 6.3328 6.3328 6.5523 6.5523 6.8454 6.8454 7.1196 7.1196 7.3564 7.3564 7.5359 7.5359 8.6684 8.6684 9.0778 9.0778 9.6146 9.6146 10.0672 10.0672 10.1528 10.1528 10.2174 10.2174 10.9437 10.9437 10.9677 10.9677 11.4430 11.4430 12.1052 12.1052 k = 0.5000 0.2186 0.5420 ( 8686 PWs) bands (ev): -68.3388 -68.3388 -68.3252 -68.3252 -38.1164 -38.1164 -38.0829 -38.0829 -36.9568 -36.9568 -36.9012 -36.9012 -36.8581 -36.8581 -36.8482 -36.8482 -17.7664 -17.7664 -4.4664 -4.4664 -2.5873 -2.5873 -2.4956 -2.4956 -0.1135 -0.1135 0.3310 0.3310 6.3489 6.3489 6.5210 6.5210 6.9038 6.9038 7.1199 7.1199 7.3419 7.3419 7.5607 7.5607 8.6427 8.6427 9.1058 9.1058 9.6322 9.6322 10.0935 10.0935 10.1723 10.1723 10.2302 10.2302 10.9721 10.9721 11.0045 11.0045 11.4381 11.4381 12.1612 12.1612 k = 0.5000 0.2186 0.5194 ( 8678 PWs) bands (ev): -68.3378 -68.3378 -68.3254 -68.3254 -38.1171 -38.1171 -38.0820 -38.0820 -36.9579 -36.9579 -36.8994 -36.8994 -36.8585 -36.8585 -36.8483 -36.8483 -17.7692 -17.7692 -4.4598 -4.4598 -2.5805 -2.5805 -2.4903 -2.4903 -0.1283 -0.1283 0.3194 0.3194 6.3636 6.3636 6.4904 6.4904 6.9627 6.9627 7.1199 7.1199 7.3303 7.3303 7.5860 7.5860 8.6211 8.6211 9.1375 9.1375 9.6455 9.6455 10.1214 10.1214 10.2011 10.2011 10.2489 10.2489 10.9804 10.9804 11.0584 11.0584 11.4313 11.4313 12.2192 12.2192 k = 0.5000 0.2186 0.4968 ( 8682 PWs) bands (ev): -68.3385 -68.3385 -68.3251 -68.3251 -38.1178 -38.1178 -38.0813 -38.0813 -36.9590 -36.9590 -36.8978 -36.8978 -36.8588 -36.8588 -36.8485 -36.8485 -17.7719 -17.7719 -4.4534 -4.4534 -2.5766 -2.5766 -2.4817 -2.4817 -0.1422 -0.1422 0.3064 0.3064 6.3770 6.3770 6.4606 6.4606 7.0220 7.0220 7.1196 7.1196 7.3192 7.3192 7.6117 7.6117 8.5983 8.5983 9.1673 9.1673 9.6556 9.6556 10.1458 10.1458 10.2200 10.2200 10.2665 10.2665 10.9773 10.9773 11.1144 11.1144 11.4260 11.4260 12.2736 12.2736 k = 0.5000 0.2186 0.4742 ( 8684 PWs) bands (ev): -68.3385 -68.3385 -68.3254 -68.3254 -38.1185 -38.1185 -38.0805 -38.0805 -36.9601 -36.9601 -36.8961 -36.8961 -36.8592 -36.8592 -36.8486 -36.8486 -17.7746 -17.7746 -4.4470 -4.4470 -2.5751 -2.5751 -2.4701 -2.4701 -0.1549 -0.1549 0.2920 0.2920 6.3894 6.3894 6.4314 6.4314 7.0812 7.0812 7.1189 7.1189 7.3092 7.3092 7.6373 7.6373 8.5764 8.5764 9.1988 9.1988 9.6627 9.6627 10.1690 10.1690 10.2414 10.2414 10.2875 10.2875 10.9677 10.9677 11.1718 11.1718 11.4183 11.4183 12.3243 12.3243 k = 0.5000 0.2186 0.4516 ( 8672 PWs) bands (ev): -68.3379 -68.3379 -68.3247 -68.3247 -38.1192 -38.1192 -38.0797 -38.0797 -36.9611 -36.9611 -36.8945 -36.8945 -36.8595 -36.8595 -36.8487 -36.8487 -17.7773 -17.7773 -4.4409 -4.4409 -2.5754 -2.5754 -2.4563 -2.4563 -0.1667 -0.1667 0.2763 0.2763 6.3988 6.3988 6.4067 6.4067 7.1176 7.1176 7.1415 7.1415 7.3004 7.3004 7.6642 7.6642 8.5550 8.5550 9.2318 9.2318 9.6677 9.6677 10.1923 10.1923 10.2667 10.2667 10.3129 10.3129 10.9559 10.9559 11.2324 11.2324 11.4133 11.4133 12.3702 12.3702 k = 0.5000 0.2186 0.4291 ( 8664 PWs) bands (ev): -68.3372 -68.3372 -68.3244 -68.3244 -38.1199 -38.1199 -38.0789 -38.0789 -36.9622 -36.9622 -36.8929 -36.8929 -36.8598 -36.8598 -36.8488 -36.8488 -17.7798 -17.7798 -4.4349 -4.4349 -2.5769 -2.5769 -2.4409 -2.4409 -0.1776 -0.1776 0.2595 0.2595 6.3759 6.3759 6.4138 6.4138 7.1166 7.1166 7.1992 7.1992 7.2932 7.2932 7.6903 7.6903 8.5343 8.5343 9.2622 9.2622 9.6695 9.6695 10.2143 10.2143 10.2941 10.2941 10.3406 10.3406 10.9368 10.9368 11.2938 11.2938 11.4089 11.4089 12.3331 12.3331 k = 0.5000 0.2186 0.4065 ( 8668 PWs) bands (ev): -68.3375 -68.3375 -68.3246 -68.3246 -38.1205 -38.1205 -38.0782 -38.0782 -36.9632 -36.9632 -36.8915 -36.8915 -36.8600 -36.8600 -36.8489 -36.8489 -17.7823 -17.7823 -4.4291 -4.4291 -2.5790 -2.5790 -2.4245 -2.4245 -0.1875 -0.1875 0.2417 0.2417 6.3502 6.3502 6.4249 6.4249 7.1142 7.1142 7.2490 7.2490 7.2938 7.2938 7.7164 7.7164 8.5131 8.5131 9.2901 9.2901 9.6653 9.6653 10.2339 10.2339 10.3183 10.3183 10.3651 10.3651 10.9132 10.9132 11.3536 11.3536 11.4021 11.4021 12.2522 12.2522 k = 0.5000 0.2186 0.3839 ( 8664 PWs) bands (ev): -68.3379 -68.3379 -68.3237 -68.3237 -38.1212 -38.1212 -38.0775 -38.0775 -36.9642 -36.9642 -36.8901 -36.8901 -36.8602 -36.8602 -36.8489 -36.8489 -17.7847 -17.7847 -4.4236 -4.4236 -2.5816 -2.5816 -2.4075 -2.4075 -0.1966 -0.1966 0.2231 0.2231 6.3267 6.3267 6.4361 6.4361 7.1128 7.1128 7.2615 7.2615 7.3315 7.3315 7.7427 7.7427 8.4917 8.4917 9.3166 9.3166 9.6600 9.6600 10.2522 10.2522 10.3441 10.3441 10.3914 10.3914 10.8878 10.8878 11.3970 11.3970 11.4185 11.4185 12.1754 12.1754 k = 0.5000 0.2186 0.3613 ( 8666 PWs) bands (ev): -68.3381 -68.3381 -68.3237 -68.3237 -38.1218 -38.1218 -38.0769 -38.0769 -36.9652 -36.9652 -36.8887 -36.8887 -36.8605 -36.8605 -36.8490 -36.8490 -17.7870 -17.7870 -4.4183 -4.4183 -2.5842 -2.5842 -2.3901 -2.3901 -0.2047 -0.2047 0.2038 0.2038 6.3036 6.3036 6.4481 6.4481 7.1113 7.1113 7.2559 7.2559 7.3872 7.3872 7.7688 7.7688 8.4694 8.4694 9.3434 9.3434 9.6484 9.6484 10.2685 10.2685 10.3664 10.3664 10.4162 10.4162 10.8663 10.8663 11.3871 11.3871 11.4825 11.4825 12.1004 12.1004 k = 0.5000 0.2186 0.3387 ( 8668 PWs) bands (ev): -68.3384 -68.3384 -68.3237 -68.3237 -38.1224 -38.1224 -38.0762 -38.0762 -36.9662 -36.9662 -36.8874 -36.8874 -36.8607 -36.8607 -36.8490 -36.8490 -17.7893 -17.7893 -4.4133 -4.4133 -2.5869 -2.5869 -2.3727 -2.3727 -0.2121 -0.2121 0.1839 0.1839 6.2813 6.2813 6.4596 6.4596 7.1095 7.1095 7.2458 7.2458 7.4447 7.4447 7.7933 7.7933 8.4493 8.4493 9.3654 9.3654 9.6365 9.6365 10.2839 10.2839 10.3936 10.3936 10.4453 10.4453 10.8393 10.8393 11.3822 11.3822 11.5476 11.5476 12.0306 12.0306 k = 0.5000 0.2186 0.3161 ( 8666 PWs) bands (ev): -68.3388 -68.3388 -68.3231 -68.3231 -38.1229 -38.1229 -38.0757 -38.0757 -36.9671 -36.9671 -36.8862 -36.8862 -36.8608 -36.8608 -36.8490 -36.8490 -17.7914 -17.7914 -4.4086 -4.4086 -2.5894 -2.5894 -2.3553 -2.3553 -0.2187 -0.2187 0.1639 0.1639 6.2608 6.2608 6.4720 6.4720 7.1075 7.1075 7.2359 7.2359 7.5018 7.5018 7.8178 7.8178 8.4320 8.4320 9.3865 9.3865 9.6214 9.6214 10.2974 10.2974 10.4176 10.4176 10.4724 10.4724 10.8164 10.8164 11.3768 11.3768 11.6131 11.6131 11.9645 11.9645 k = 0.5000 0.2186 0.2936 ( 8662 PWs) bands (ev): -68.3390 -68.3390 -68.3224 -68.3224 -38.1235 -38.1235 -38.0751 -38.0751 -36.9679 -36.9679 -36.8851 -36.8851 -36.8610 -36.8610 -36.8491 -36.8491 -17.7934 -17.7934 -4.4041 -4.4041 -2.5919 -2.5919 -2.3383 -2.3383 -0.2246 -0.2246 0.1437 0.1437 6.2417 6.2417 6.4848 6.4848 7.1064 7.1064 7.2248 7.2248 7.5580 7.5580 7.8415 7.8415 8.4146 8.4146 9.4056 9.4056 9.6045 9.6045 10.3102 10.3102 10.4414 10.4414 10.5006 10.5006 10.7961 10.7961 11.3713 11.3713 11.6802 11.6802 11.9027 11.9027 k = 0.5000 0.2186 0.2710 ( 8666 PWs) bands (ev): -68.3392 -68.3392 -68.3227 -68.3227 -38.1240 -38.1240 -38.0746 -38.0746 -36.9688 -36.9688 -36.8840 -36.8840 -36.8611 -36.8611 -36.8490 -36.8490 -17.7953 -17.7953 -4.4000 -4.4000 -2.5941 -2.5941 -2.3216 -2.3216 -0.2297 -0.2297 0.1237 0.1237 6.2237 6.2237 6.4980 6.4980 7.1040 7.1040 7.2127 7.2127 7.6128 7.6128 7.8642 7.8642 8.3982 8.3982 9.4224 9.4224 9.5841 9.5841 10.3216 10.3216 10.4635 10.4635 10.5270 10.5270 10.7785 10.7785 11.3623 11.3623 11.7445 11.7445 11.8442 11.8442 k = 0.5000 0.2186 0.2484 ( 8658 PWs) bands (ev): -68.3389 -68.3389 -68.3221 -68.3221 -38.1244 -38.1244 -38.0741 -38.0741 -36.9695 -36.9695 -36.8831 -36.8831 -36.8612 -36.8612 -36.8490 -36.8490 -17.7970 -17.7970 -4.3962 -4.3962 -2.5962 -2.5962 -2.3055 -2.3055 -0.2342 -0.2342 0.1041 0.1041 6.2073 6.2073 6.5119 6.5119 7.1020 7.1020 7.2003 7.2003 7.6664 7.6664 7.8862 7.8862 8.3829 8.3829 9.4374 9.4374 9.5640 9.5640 10.3325 10.3325 10.4856 10.4856 10.5556 10.5556 10.7665 10.7665 11.3623 11.3623 11.7877 11.7877 11.8121 11.8121 k = 0.5000 0.2186 0.2258 ( 8650 PWs) bands (ev): -68.3386 -68.3386 -68.3215 -68.3215 -38.1249 -38.1249 -38.0736 -38.0736 -36.9702 -36.9702 -36.8822 -36.8822 -36.8613 -36.8613 -36.8490 -36.8490 -17.7986 -17.7986 -4.3928 -4.3928 -2.5980 -2.5980 -2.2902 -2.2902 -0.2380 -0.2380 0.0851 0.0851 6.1921 6.1921 6.5258 6.5258 7.1015 7.1015 7.1872 7.1872 7.7175 7.7175 7.9069 7.9069 8.3703 8.3703 9.4496 9.4496 9.5429 9.5429 10.3425 10.3425 10.5078 10.5078 10.5827 10.5827 10.7560 10.7560 11.3576 11.3576 11.7416 11.7416 11.8762 11.8762 k = 0.5000 0.2186 0.2032 ( 8668 PWs) bands (ev): -68.3398 -68.3398 -68.3223 -68.3223 -38.1253 -38.1253 -38.0732 -38.0732 -36.9709 -36.9709 -36.8814 -36.8814 -36.8614 -36.8614 -36.8489 -36.8489 -17.8001 -17.8001 -4.3896 -4.3896 -2.5997 -2.5997 -2.2758 -2.2758 -0.2413 -0.2413 0.0669 0.0669 6.1782 6.1782 6.5399 6.5399 7.0966 7.0966 7.1733 7.1733 7.7653 7.7653 7.9259 7.9259 8.3556 8.3556 9.4593 9.4593 9.5209 9.5209 10.3487 10.3487 10.5158 10.5158 10.6045 10.6045 10.7472 10.7472 11.3442 11.3442 11.6992 11.6992 11.9316 11.9316 k = 0.5000 0.2186 0.1807 ( 8672 PWs) bands (ev): -68.3404 -68.3404 -68.3222 -68.3222 -38.1256 -38.1256 -38.0729 -38.0729 -36.9715 -36.9715 -36.8807 -36.8807 -36.8615 -36.8615 -36.8489 -36.8489 -17.8015 -17.8015 -4.3868 -4.3868 -2.6011 -2.6011 -2.2624 -2.2624 -0.2440 -0.2440 0.0498 0.0498 6.1658 6.1658 6.5539 6.5539 7.0946 7.0946 7.1595 7.1595 7.8107 7.8107 7.9431 7.9431 8.3423 8.3423 9.4668 9.4668 9.4989 9.4989 10.3558 10.3558 10.5318 10.5318 10.6275 10.6275 10.7379 10.7379 11.3374 11.3374 11.6609 11.6609 11.9899 11.9899 k = 0.5000 0.2186 0.1581 ( 8680 PWs) bands (ev): -68.3419 -68.3419 -68.3217 -68.3217 -38.1259 -38.1259 -38.0726 -38.0726 -36.9720 -36.9720 -36.8801 -36.8801 -36.8616 -36.8616 -36.8489 -36.8489 -17.8026 -17.8026 -4.3843 -4.3843 -2.6023 -2.6023 -2.2501 -2.2501 -0.2462 -0.2462 0.0340 0.0340 6.1554 6.1554 6.5676 6.5676 7.0935 7.0935 7.1463 7.1463 7.8523 7.8523 7.9586 7.9586 8.3268 8.3268 9.4725 9.4725 9.4779 9.4779 10.3598 10.3598 10.5403 10.5403 10.6466 10.6466 10.7309 10.7309 11.3311 11.3311 11.6276 11.6276 12.0462 12.0462 k = 0.5000 0.2186 0.1355 ( 8674 PWs) bands (ev): -68.3417 -68.3417 -68.3211 -68.3211 -38.1262 -38.1262 -38.0723 -38.0723 -36.9725 -36.9725 -36.8796 -36.8796 -36.8616 -36.8616 -36.8488 -36.8488 -17.8037 -17.8037 -4.3822 -4.3822 -2.6034 -2.6034 -2.2392 -2.2392 -0.2479 -0.2479 0.0197 0.0197 6.1461 6.1461 6.5808 6.5808 7.0932 7.0932 7.1336 7.1336 7.8899 7.8899 7.9735 7.9735 8.3190 8.3190 9.4565 9.4565 9.4784 9.4784 10.3652 10.3652 10.5531 10.5531 10.6646 10.6646 10.7319 10.7319 11.3261 11.3261 11.5993 11.5993 12.0996 12.0996 k = 0.5000 0.2186 0.1129 ( 8678 PWs) bands (ev): -68.3418 -68.3418 -68.3215 -68.3215 -38.1265 -38.1265 -38.0720 -38.0720 -36.9729 -36.9729 -36.8792 -36.8792 -36.8617 -36.8617 -36.8487 -36.8487 -17.8046 -17.8046 -4.3804 -4.3804 -2.6042 -2.6042 -2.2298 -2.2298 -0.2492 -0.2492 0.0071 0.0071 6.1379 6.1379 6.5930 6.5930 7.0916 7.0916 7.1215 7.1215 7.9227 7.9227 7.9869 7.9869 8.3090 8.3090 9.4368 9.4368 9.4817 9.4817 10.3687 10.3687 10.5641 10.5641 10.6802 10.6802 10.7350 10.7350 11.3155 11.3155 11.5749 11.5749 12.1447 12.1447 k = 0.5000 0.2186 0.0903 ( 8670 PWs) bands (ev): -68.3419 -68.3419 -68.3205 -68.3205 -38.1266 -38.1266 -38.0718 -38.0718 -36.9732 -36.9732 -36.8788 -36.8788 -36.8617 -36.8617 -36.8487 -36.8487 -17.8053 -17.8053 -4.3789 -4.3789 -2.6049 -2.6049 -2.2218 -2.2218 -0.2502 -0.2502 -0.0034 -0.0034 6.1320 6.1320 6.6038 6.6038 7.0908 7.0908 7.1111 7.1111 7.9496 7.9496 7.9988 7.9988 8.3026 8.3026 9.4218 9.4218 9.4846 9.4846 10.3722 10.3722 10.5730 10.5730 10.6915 10.6915 10.7392 10.7392 11.3171 11.3171 11.5573 11.5573 12.1847 12.1847 k = 0.5000 0.2186 0.0677 ( 8676 PWs) bands (ev): -68.3419 -68.3419 -68.3212 -68.3212 -38.1268 -38.1268 -38.0717 -38.0717 -36.9735 -36.9735 -36.8785 -36.8785 -36.8617 -36.8617 -36.8487 -36.8487 -17.8059 -17.8059 -4.3778 -4.3778 -2.6054 -2.6054 -2.2156 -2.2156 -0.2509 -0.2509 -0.0119 -0.0119 6.1266 6.1266 6.6127 6.6127 7.0892 7.0892 7.1008 7.1008 7.9696 7.9696 8.0098 8.0098 8.2973 8.2973 9.4071 9.4071 9.4860 9.4860 10.3746 10.3746 10.5809 10.5809 10.6977 10.6977 10.7451 10.7451 11.3096 11.3096 11.5422 11.5422 12.2157 12.2157 k = 0.5000 0.2186 0.0452 ( 8680 PWs) bands (ev): -68.3424 -68.3424 -68.3211 -68.3211 -38.1269 -38.1269 -38.0716 -38.0716 -36.9736 -36.9736 -36.8783 -36.8783 -36.8618 -36.8618 -36.8486 -36.8486 -17.8063 -17.8063 -4.3770 -4.3770 -2.6058 -2.6058 -2.2110 -2.2110 -0.2514 -0.2514 -0.0180 -0.0180 6.1235 6.1235 6.6195 6.6195 7.0872 7.0872 7.0940 7.0940 7.9827 7.9827 8.0186 8.0186 8.2928 8.2928 9.3973 9.3973 9.4874 9.4874 10.3763 10.3763 10.5837 10.5837 10.7007 10.7007 10.7478 10.7478 11.3071 11.3071 11.5324 11.5324 12.2375 12.2375 k = 0.5000 0.2186 0.0226 ( 8696 PWs) bands (ev): -68.3442 -68.3442 -68.3211 -68.3211 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8782 -36.8782 -36.8618 -36.8618 -36.8487 -36.8487 -17.8065 -17.8065 -4.3765 -4.3765 -2.6060 -2.6060 -2.2083 -2.2083 -0.2517 -0.2517 -0.0218 -0.0218 6.1213 6.1213 6.6222 6.6222 7.0860 7.0860 7.0906 7.0906 7.9889 7.9889 8.0234 8.0234 8.2885 8.2885 9.3909 9.3909 9.4878 9.4878 10.3735 10.3735 10.5847 10.5847 10.6956 10.6956 10.7423 10.7423 11.3048 11.3048 11.5265 11.5265 12.2519 12.2519 k = 0.5000 0.2186 0.0000 ( 8696 PWs) bands (ev): -68.3442 -68.3442 -68.3211 -68.3211 -38.1270 -38.1270 -38.0715 -38.0715 -36.9738 -36.9738 -36.8782 -36.8782 -36.8618 -36.8618 -36.8487 -36.8487 -17.8066 -17.8066 -4.3763 -4.3763 -2.6061 -2.6061 -2.2074 -2.2074 -0.2518 -0.2518 -0.0230 -0.0230 6.1205 6.1205 6.6236 6.6236 7.0853 7.0853 7.0897 7.0897 7.9912 7.9912 8.0257 8.0257 8.2877 8.2877 9.3888 9.3888 9.4880 9.4880 10.3739 10.3739 10.5857 10.5857 10.6963 10.6963 10.7434 10.7434 11.3040 11.3040 11.5245 11.5245 12.2567 12.2567 k = 0.0000 0.0000 1.2484 ( 8676 PWs) bands (ev): -68.3331 -68.3331 -68.3284 -68.3284 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9381 -36.9381 -36.8435 -36.8435 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2091 0.2091 0.4949 0.4949 5.4266 5.4266 5.8049 5.8049 6.8814 6.8814 7.0275 7.0275 7.6283 7.6283 8.6411 8.6411 8.6563 8.6563 8.8746 8.8746 9.0297 9.0297 9.0348 9.0348 9.8479 9.8479 10.1169 10.1169 10.2703 10.2703 10.2703 10.2703 11.3915 11.3915 11.5018 11.5018 k = 0.0192 0.0084 1.2484 ( 8684 PWs) bands (ev): -68.3336 -68.3336 -68.3289 -68.3289 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9382 -36.9382 -36.8435 -36.8435 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2091 0.2091 0.4949 0.4949 5.4277 5.4277 5.8022 5.8022 6.8815 6.8815 7.0300 7.0300 7.6263 7.6263 8.6265 8.6265 8.6706 8.6706 8.8745 8.8745 9.0290 9.0290 9.0342 9.0342 9.8464 9.8464 10.1154 10.1154 10.2678 10.2678 10.2703 10.2703 11.3920 11.3920 11.4952 11.4952 k = 0.0385 0.0168 1.2484 ( 8702 PWs) bands (ev): -68.3340 -68.3340 -68.3304 -68.3304 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9382 -36.9382 -36.8436 -36.8436 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2090 0.2090 0.4948 0.4948 5.4306 5.4306 5.7964 5.7964 6.8814 6.8814 7.0376 7.0376 7.6204 7.6204 8.6043 8.6043 8.6864 8.6864 8.8743 8.8743 9.0260 9.0260 9.0312 9.0312 9.8449 9.8449 10.1118 10.1118 10.2626 10.2626 10.2691 10.2691 11.3944 11.3944 11.4927 11.4927 k = 0.0577 0.0252 1.2484 ( 8698 PWs) bands (ev): -68.3331 -68.3331 -68.3309 -68.3309 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9382 -36.9382 -36.8436 -36.8436 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2090 0.2090 0.4949 0.4949 5.4358 5.4358 5.7873 5.7873 6.8820 6.8820 7.0506 7.0506 7.6109 7.6109 8.5845 8.5845 8.7058 8.7058 8.8751 8.8751 9.0255 9.0255 9.0357 9.0357 9.8493 9.8493 10.1074 10.1074 10.2623 10.2623 10.2705 10.2705 11.3948 11.3948 11.4899 11.4899 k = 0.0769 0.0336 1.2484 ( 8694 PWs) bands (ev): -68.3327 -68.3327 -68.3309 -68.3309 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9382 -36.9382 -36.8436 -36.8436 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2090 0.2090 0.4949 0.4949 5.4430 5.4430 5.7747 5.7747 6.8828 6.8828 7.0682 7.0682 7.5970 7.5970 8.5659 8.5659 8.7252 8.7252 8.8798 8.8798 9.0251 9.0251 9.0367 9.0367 9.8555 9.8555 10.0963 10.0963 10.2625 10.2625 10.2706 10.2706 11.3984 11.3984 11.4903 11.4903 k = 0.0962 0.0420 1.2484 ( 8718 PWs) bands (ev): -68.3341 -68.3341 -68.3322 -68.3322 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9382 -36.9382 -36.8436 -36.8436 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2090 0.2090 0.4948 0.4948 5.4521 5.4521 5.7590 5.7590 6.8838 6.8838 7.0895 7.0895 7.5798 7.5798 8.5482 8.5482 8.7431 8.7431 8.8822 8.8822 9.0167 9.0167 9.0322 9.0322 9.8571 9.8571 10.0846 10.0846 10.2559 10.2559 10.2612 10.2612 11.4006 11.4006 11.4828 11.4828 k = 0.1154 0.0504 1.2484 ( 8708 PWs) bands (ev): -68.3341 -68.3341 -68.3311 -68.3311 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9382 -36.9382 -36.8436 -36.8436 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2091 0.2091 0.4948 0.4948 5.4633 5.4633 5.7410 5.7410 6.8850 6.8850 7.1149 7.1149 7.5596 7.5596 8.5324 8.5324 8.7611 8.7611 8.8935 8.8935 9.0106 9.0106 9.0294 9.0294 9.8668 9.8668 10.0732 10.0732 10.2607 10.2607 10.2620 10.2620 11.4120 11.4120 11.4799 11.4799 k = 0.1346 0.0588 1.2484 ( 8708 PWs) bands (ev): -68.3332 -68.3332 -68.3320 -68.3320 -38.1016 -38.1016 -38.1015 -38.1015 -36.9385 -36.9385 -36.9382 -36.9382 -36.8436 -36.8436 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2091 0.2091 0.4947 0.4947 5.4761 5.4761 5.7213 5.7213 6.8860 6.8860 7.1432 7.1432 7.5364 7.5364 8.5172 8.5172 8.7753 8.7753 8.8975 8.8975 9.0088 9.0088 9.0271 9.0271 9.8771 9.8771 10.0602 10.0602 10.2609 10.2609 10.2639 10.2639 11.4134 11.4134 11.4805 11.4805 k = 0.1538 0.0672 1.2484 ( 8724 PWs) bands (ev): -68.3337 -68.3337 -68.3334 -68.3334 -38.1016 -38.1016 -38.1016 -38.1016 -36.9385 -36.9385 -36.9383 -36.9383 -36.8437 -36.8437 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2091 0.2091 0.4946 0.4946 5.4902 5.4902 5.7000 5.7000 6.8870 6.8870 7.1737 7.1737 7.5105 7.5105 8.5042 8.5042 8.7881 8.7881 8.9040 8.9040 9.0004 9.0004 9.0229 9.0229 9.8853 9.8853 10.0454 10.0454 10.2541 10.2541 10.2595 10.2595 11.4152 11.4152 11.4752 11.4752 k = 0.1731 0.0757 1.2484 ( 8708 PWs) bands (ev): -68.3330 -68.3330 -68.3324 -68.3324 -38.1016 -38.1016 -38.1016 -38.1016 -36.9385 -36.9385 -36.9383 -36.9383 -36.8436 -36.8436 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2092 0.2092 0.4947 0.4947 5.5066 5.5066 5.6785 5.6785 6.8882 6.8882 7.2064 7.2064 7.4829 7.4829 8.4938 8.4938 8.8019 8.8019 8.9132 8.9132 8.9924 8.9924 9.0248 9.0248 9.9003 9.9003 10.0350 10.0350 10.2578 10.2578 10.2620 10.2620 11.4216 11.4216 11.4739 11.4739 k = 0.1923 0.0841 1.2484 ( 8704 PWs) bands (ev): -68.3325 -68.3325 -68.3325 -68.3325 -38.1016 -38.1016 -38.1016 -38.1016 -36.9385 -36.9385 -36.9383 -36.9383 -36.8436 -36.8436 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2093 0.2093 0.4946 0.4946 5.5243 5.5243 5.6559 5.6559 6.8891 6.8891 7.2402 7.2402 7.4527 7.4527 8.4855 8.4855 8.8127 8.8127 8.9232 8.9232 8.9832 8.9832 9.0223 9.0223 9.9156 9.9156 10.0191 10.0191 10.2609 10.2609 10.2619 10.2619 11.4281 11.4281 11.4693 11.4693 k = 0.2115 0.0925 1.2484 ( 8708 PWs) bands (ev): -68.3329 -68.3329 -68.3325 -68.3325 -38.1016 -38.1016 -38.1016 -38.1016 -36.9385 -36.9385 -36.9383 -36.9383 -36.8436 -36.8436 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2093 0.2093 0.4946 0.4946 5.5433 5.5433 5.6333 5.6333 6.8897 6.8897 7.2742 7.2742 7.4214 7.4214 8.4793 8.4793 8.8199 8.8199 8.9332 8.9332 8.9721 8.9721 9.0198 9.0198 9.9304 9.9304 10.0029 10.0029 10.2582 10.2582 10.2616 10.2616 11.4338 11.4338 11.4622 11.4622 k = 0.2308 0.1009 1.2484 ( 8716 PWs) bands (ev): -68.3334 -68.3334 -68.3330 -68.3330 -38.1016 -38.1016 -38.1016 -38.1016 -36.9385 -36.9385 -36.9383 -36.9383 -36.8436 -36.8436 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2093 0.2093 0.4946 0.4946 5.5625 5.5625 5.6114 5.6114 6.8901 6.8901 7.3065 7.3065 7.3903 7.3903 8.4756 8.4756 8.8243 8.8243 8.9433 8.9433 8.9626 8.9626 9.0183 9.0183 9.9450 9.9450 9.9835 9.9835 10.2560 10.2560 10.2574 10.2574 11.4365 11.4365 11.4563 11.4563 k = 0.2500 0.1093 1.2484 ( 8716 PWs) bands (ev): -68.3332 -68.3332 -68.3332 -68.3332 -38.1016 -38.1016 -38.1016 -38.1016 -36.9385 -36.9385 -36.9383 -36.9383 -36.8437 -36.8437 -36.8434 -36.8434 -17.7066 -17.7066 -4.6006 -4.6006 -2.8254 -2.8254 -2.4039 -2.4039 0.2093 0.2093 0.4946 0.4946 5.5754 5.5754 5.5977 5.5977 6.8903 6.8903 7.3259 7.3259 7.3715 7.3715 8.4743 8.4743 8.8256 8.8256 8.9523 8.9523 8.9540 8.9540 9.0180 9.0180 9.9544 9.9544 9.9739 9.9739 10.2561 10.2561 10.2572 10.2572 11.4385 11.4385 11.4544 11.4544 Writing output data file BaxMnPx2.save init_run : 0.34s CPU 0.52s WALL ( 1 calls) electrons : 497.77s CPU 501.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 497.77s CPU 501.32s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.16s WALL ( 342 calls) cegterg : 448.50s CPU 451.08s WALL ( 349 calls) Called by sum_band: Called by *egterg: h_psi : 394.41s CPU 396.54s WALL ( 5720 calls) s_psi : 8.44s CPU 8.50s WALL ( 5720 calls) g_psi : 0.58s CPU 0.54s WALL ( 5029 calls) cdiaghg : 53.89s CPU 54.62s WALL ( 5371 calls) cegterg:over : 13.05s CPU 12.91s WALL ( 5029 calls) cegterg:upda : 11.74s CPU 11.94s WALL ( 5029 calls) cegterg:last : 5.94s CPU 5.91s WALL ( 1049 calls) cdiaghg:chol : 2.90s CPU 3.17s WALL ( 5371 calls) cdiaghg:inve : 2.26s CPU 2.15s WALL ( 5371 calls) cdiaghg:para : 3.60s CPU 3.68s WALL ( 10742 calls) Called by h_psi: h_psi:vloc : 372.76s CPU 375.15s WALL ( 5720 calls) h_psi:vnl : 21.06s CPU 20.86s WALL ( 5720 calls) add_vuspsi : 11.05s CPU 11.03s WALL ( 5720 calls) General routines calbec : 9.97s CPU 9.82s WALL ( 5720 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 352.09s CPU 353.89s WALL ( 863528 calls) davcio : 0.32s CPU 0.49s WALL ( 684 calls) Parallel routines fft_scatter : 83.15s CPU 83.02s WALL ( 863543 calls) PWSCF : 8m48.84s CPU 9m15.71s WALL This run was terminated on: 14:35:39 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=