Program PWSCF v.5.4.0 starts on 15Mar2017 at 12:22:13 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FeAg2SnS4.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 33 9 1130 752 113 Max 45 34 10 1133 773 116 Sum 3171 2429 685 81485 54793 8217 bravais-lattice index = 14 lattice parameter (alat) = 12.8868 a.u. unit-cell volume = 1218.4307 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.886795 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.645757 celldm(5)= -0.645757 celldm(6)= 0.291513 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.291513 0.956567 0.000000 ) a(3) = ( -0.645757 -0.478283 0.595183 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.304750 0.840077 ) b(2) = ( 0.000000 1.045405 0.840077 ) b(3) = ( 0.000000 0.000000 1.680154 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 S 6.00 32.06500 S( 1.00) Fe 8.00 55.84500 Fe( 1.00) Sn 14.00 118.71000 Sn( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops. (no 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 inv. 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 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 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 s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0215404), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0430809), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0646213), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0861618), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.1077022), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1292427), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1507831), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1723235), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1938640), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.2154044), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2369448), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2584853), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.2800257), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.3015662), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.3231066), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.3446471), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.3661875), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.3877279), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.4092684), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.4308088), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.4523493), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.4738897), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.4954301), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.5169706), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.5385110), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.5600515), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.5815919), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.6031324), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.6246728), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.6462132), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.6677537), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.6892941), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.7108345), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.7323750), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.7539154), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.7754559), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.7969963), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.8185368), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.8400772), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.8400772), wk = 0.0036765 k( 42) = ( -0.0124675 0.0168331 0.8400772), wk = 0.0036765 k( 43) = ( -0.0249350 0.0336662 0.8400772), wk = 0.0036765 k( 44) = ( -0.0374025 0.0504992 0.8400772), wk = 0.0036765 k( 45) = ( -0.0498701 0.0673323 0.8400772), wk = 0.0036765 k( 46) = ( -0.0623376 0.0841654 0.8400772), wk = 0.0036765 k( 47) = ( -0.0748051 0.1009985 0.8400772), wk = 0.0036765 k( 48) = ( -0.0872726 0.1178316 0.8400772), wk = 0.0036765 k( 49) = ( -0.0997401 0.1346647 0.8400772), wk = 0.0036765 k( 50) = ( -0.1122077 0.1514977 0.8400772), wk = 0.0036765 k( 51) = ( -0.1246752 0.1683308 0.8400772), wk = 0.0036765 k( 52) = ( -0.1371427 0.1851639 0.8400772), wk = 0.0036765 k( 53) = ( -0.1371427 0.1851639 0.8400772), wk = 0.0036765 k( 54) = ( -0.1462141 0.1974118 0.8248358), wk = 0.0036765 k( 55) = ( -0.1552856 0.2096596 0.8095944), wk = 0.0036765 k( 56) = ( -0.1643570 0.2219074 0.7943530), wk = 0.0036765 k( 57) = ( -0.1734284 0.2341553 0.7791116), wk = 0.0036765 k( 58) = ( -0.1824999 0.2464031 0.7638702), wk = 0.0036765 k( 59) = ( -0.1915713 0.2586510 0.7486287), wk = 0.0036765 k( 60) = ( -0.2006427 0.2708988 0.7333873), wk = 0.0036765 k( 61) = ( -0.2097142 0.2831466 0.7181459), wk = 0.0036765 k( 62) = ( -0.2187856 0.2953945 0.7029045), wk = 0.0036765 k( 63) = ( -0.2278570 0.3076423 0.6876631), wk = 0.0036765 k( 64) = ( -0.2369285 0.3198902 0.6724217), wk = 0.0036765 k( 65) = ( -0.2459999 0.3321380 0.6571803), wk = 0.0036765 k( 66) = ( -0.2550713 0.3443858 0.6419389), wk = 0.0036765 k( 67) = ( -0.2641427 0.3566337 0.6266975), wk = 0.0036765 k( 68) = ( -0.2732142 0.3688815 0.6114561), wk = 0.0036765 k( 69) = ( -0.2822856 0.3811294 0.5962147), wk = 0.0036765 k( 70) = ( -0.2913571 0.3933772 0.5809733), wk = 0.0036765 k( 71) = ( -0.3004285 0.4056250 0.5657319), wk = 0.0036765 k( 72) = ( -0.3094999 0.4178729 0.5504905), wk = 0.0036765 k( 73) = ( -0.3185713 0.4301207 0.5352491), wk = 0.0036765 k( 74) = ( -0.3185713 0.4301207 0.5352491), wk = 0.0036765 k( 75) = ( -0.3094693 0.4178316 0.5199562), wk = 0.0036765 k( 76) = ( -0.3003673 0.4055424 0.5046634), wk = 0.0036765 k( 77) = ( -0.2912652 0.3932532 0.4893706), wk = 0.0036765 k( 78) = ( -0.2821632 0.3809641 0.4740777), wk = 0.0036765 k( 79) = ( -0.2730612 0.3686749 0.4587849), wk = 0.0036765 k( 80) = ( -0.2639591 0.3563858 0.4434921), wk = 0.0036765 k( 81) = ( -0.2548571 0.3440966 0.4281992), wk = 0.0036765 k( 82) = ( -0.2457550 0.3318074 0.4129064), wk = 0.0036765 k( 83) = ( -0.2366530 0.3195183 0.3976136), wk = 0.0036765 k( 84) = ( -0.2275510 0.3072291 0.3823207), wk = 0.0036765 k( 85) = ( -0.2184489 0.2949399 0.3670279), wk = 0.0036765 k( 86) = ( -0.2093469 0.2826508 0.3517351), wk = 0.0036765 k( 87) = ( -0.2002449 0.2703616 0.3364423), wk = 0.0036765 k( 88) = ( -0.1911428 0.2580724 0.3211494), wk = 0.0036765 k( 89) = ( -0.1820408 0.2457833 0.3058566), wk = 0.0036765 k( 90) = ( -0.1729387 0.2334941 0.2905638), wk = 0.0036765 k( 91) = ( -0.1638367 0.2212049 0.2752709), wk = 0.0036765 k( 92) = ( -0.1547347 0.2089158 0.2599781), wk = 0.0036765 k( 93) = ( -0.1456326 0.1966266 0.2446853), wk = 0.0036765 k( 94) = ( -0.1365306 0.1843375 0.2293925), wk = 0.0036765 k( 95) = ( -0.1274285 0.1720483 0.2140996), wk = 0.0036765 k( 96) = ( -0.1183265 0.1597591 0.1988068), wk = 0.0036765 k( 97) = ( -0.1092245 0.1474700 0.1835140), wk = 0.0036765 k( 98) = ( -0.1001224 0.1351808 0.1682211), wk = 0.0036765 k( 99) = ( -0.0910204 0.1228916 0.1529283), wk = 0.0036765 k( 100) = ( -0.0819184 0.1106025 0.1376355), wk = 0.0036765 k( 101) = ( -0.0728163 0.0983133 0.1223426), wk = 0.0036765 k( 102) = ( -0.0637143 0.0860241 0.1070498), wk = 0.0036765 k( 103) = ( -0.0546122 0.0737350 0.0917570), wk = 0.0036765 k( 104) = ( -0.0455102 0.0614458 0.0764641), wk = 0.0036765 k( 105) = ( -0.0364082 0.0491566 0.0611713), wk = 0.0036765 k( 106) = ( -0.0273061 0.0368675 0.0458785), wk = 0.0036765 k( 107) = ( -0.0182041 0.0245783 0.0305857), wk = 0.0036765 k( 108) = ( -0.0091020 0.0122892 0.0152928), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0172414 0.0127699 -0.0000000), wk = 0.0036765 k( 112) = ( 0.0344828 0.0255399 -0.0000000), wk = 0.0036765 k( 113) = ( 0.0517241 0.0383098 -0.0000000), wk = 0.0036765 k( 114) = ( 0.0689655 0.0510797 -0.0000000), wk = 0.0036765 k( 115) = ( 0.0862069 0.0638496 -0.0000000), wk = 0.0036765 k( 116) = ( 0.1034483 0.0766196 -0.0000000), wk = 0.0036765 k( 117) = ( 0.1206897 0.0893895 -0.0000000), wk = 0.0036765 k( 118) = ( 0.1379310 0.1021594 -0.0000000), wk = 0.0036765 k( 119) = ( 0.1551724 0.1149293 -0.0000000), wk = 0.0036765 k( 120) = ( 0.1724138 0.1276992 -0.0000000), wk = 0.0036765 k( 121) = ( 0.1896552 0.1404692 -0.0000000), wk = 0.0036765 k( 122) = ( 0.2068966 0.1532391 -0.0000000), wk = 0.0036765 k( 123) = ( 0.2241379 0.1660090 -0.0000000), wk = 0.0036765 k( 124) = ( 0.2413793 0.1787789 -0.0000000), wk = 0.0036765 k( 125) = ( 0.2586207 0.1915489 -0.0000000), wk = 0.0036765 k( 126) = ( 0.2758621 0.2043188 -0.0000000), wk = 0.0036765 k( 127) = ( 0.2931034 0.2170887 -0.0000000), wk = 0.0036765 k( 128) = ( 0.3103448 0.2298586 -0.0000000), wk = 0.0036765 k( 129) = ( 0.3275862 0.2426286 -0.0000000), wk = 0.0036765 k( 130) = ( 0.3448276 0.2553985 -0.0000000), wk = 0.0036765 k( 131) = ( 0.3620690 0.2681684 -0.0000000), wk = 0.0036765 k( 132) = ( 0.3793103 0.2809383 -0.0000000), wk = 0.0036765 k( 133) = ( 0.3965517 0.2937083 -0.0000000), wk = 0.0036765 k( 134) = ( 0.4137931 0.3064782 -0.0000000), wk = 0.0036765 k( 135) = ( 0.4310345 0.3192481 -0.0000000), wk = 0.0036765 k( 136) = ( 0.4482759 0.3320180 -0.0000000), wk = 0.0036765 k( 137) = ( 0.4655172 0.3447880 -0.0000000), wk = 0.0036765 k( 138) = ( 0.4827586 0.3575579 -0.0000000), wk = 0.0036765 k( 139) = ( 0.5000000 0.3703278 -0.0000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.3703278 -0.0000000), wk = 0.0036765 k( 141) = ( 0.4909286 0.3825757 0.0152414), wk = 0.0036765 k( 142) = ( 0.4818571 0.3948235 0.0304828), wk = 0.0036765 k( 143) = ( 0.4727857 0.4070713 0.0457242), wk = 0.0036765 k( 144) = ( 0.4637143 0.4193192 0.0609656), wk = 0.0036765 k( 145) = ( 0.4546428 0.4315670 0.0762070), wk = 0.0036765 k( 146) = ( 0.4455714 0.4438149 0.0914485), wk = 0.0036765 k( 147) = ( 0.4365000 0.4560627 0.1066899), wk = 0.0036765 k( 148) = ( 0.4274285 0.4683105 0.1219313), wk = 0.0036765 k( 149) = ( 0.4183571 0.4805584 0.1371727), wk = 0.0036765 k( 150) = ( 0.4092857 0.4928062 0.1524141), wk = 0.0036765 k( 151) = ( 0.4002142 0.5050541 0.1676555), wk = 0.0036765 k( 152) = ( 0.3911428 0.5173019 0.1828969), wk = 0.0036765 k( 153) = ( 0.3820714 0.5295498 0.1981383), wk = 0.0036765 k( 154) = ( 0.3729999 0.5417976 0.2133797), wk = 0.0036765 k( 155) = ( 0.3639285 0.5540454 0.2286211), wk = 0.0036765 k( 156) = ( 0.3548571 0.5662933 0.2438625), wk = 0.0036765 k( 157) = ( 0.3457856 0.5785411 0.2591039), wk = 0.0036765 k( 158) = ( 0.3367142 0.5907890 0.2743453), wk = 0.0036765 k( 159) = ( 0.3276428 0.6030368 0.2895867), wk = 0.0036765 k( 160) = ( 0.3185713 0.6152846 0.3048281), wk = 0.0036765 k( 161) = ( 0.3185713 0.6152846 0.3048281), wk = 0.0036765 k( 162) = ( 0.2998319 0.6098386 0.3116052), wk = 0.0036765 k( 163) = ( 0.2810924 0.6043926 0.3183823), wk = 0.0036765 k( 164) = ( 0.2623529 0.5989467 0.3251594), wk = 0.0036765 k( 165) = ( 0.2436134 0.5935007 0.3319365), wk = 0.0036765 k( 166) = ( 0.2248739 0.5880547 0.3387136), wk = 0.0036765 k( 167) = ( 0.2061344 0.5826087 0.3454907), wk = 0.0036765 k( 168) = ( 0.1873949 0.5771627 0.3522677), wk = 0.0036765 k( 169) = ( 0.1686554 0.5717167 0.3590448), wk = 0.0036765 k( 170) = ( 0.1499159 0.5662707 0.3658219), wk = 0.0036765 k( 171) = ( 0.1311764 0.5608247 0.3725990), wk = 0.0036765 k( 172) = ( 0.1124369 0.5553787 0.3793761), wk = 0.0036765 k( 173) = ( 0.0936975 0.5499327 0.3861532), wk = 0.0036765 k( 174) = ( 0.0749580 0.5444867 0.3929303), wk = 0.0036765 k( 175) = ( 0.0562185 0.5390407 0.3997073), wk = 0.0036765 k( 176) = ( 0.0374790 0.5335947 0.4064844), wk = 0.0036765 k( 177) = ( 0.0187395 0.5281487 0.4132615), wk = 0.0036765 k( 178) = ( 0.0000000 0.5227027 0.4200386), wk = 0.0036765 k( 179) = ( 0.0000000 0.5227027 0.4200386), wk = 0.0036765 k( 180) = ( 0.0089286 0.5106477 0.4350400), wk = 0.0036765 k( 181) = ( 0.0178571 0.4985928 0.4500414), wk = 0.0036765 k( 182) = ( 0.0267857 0.4865378 0.4650427), wk = 0.0036765 k( 183) = ( 0.0357143 0.4744829 0.4800441), wk = 0.0036765 k( 184) = ( 0.0446429 0.4624279 0.4950455), wk = 0.0036765 k( 185) = ( 0.0535714 0.4503729 0.5100469), wk = 0.0036765 k( 186) = ( 0.0625000 0.4383180 0.5250483), wk = 0.0036765 k( 187) = ( 0.0714286 0.4262630 0.5400496), wk = 0.0036765 k( 188) = ( 0.0803571 0.4142081 0.5550510), wk = 0.0036765 k( 189) = ( 0.0892857 0.4021531 0.5700524), wk = 0.0036765 k( 190) = ( 0.0982143 0.3900982 0.5850538), wk = 0.0036765 k( 191) = ( 0.1071429 0.3780432 0.6000551), wk = 0.0036765 k( 192) = ( 0.1160714 0.3659883 0.6150565), wk = 0.0036765 k( 193) = ( 0.1250000 0.3539333 0.6300579), wk = 0.0036765 k( 194) = ( 0.1339286 0.3418783 0.6450593), wk = 0.0036765 k( 195) = ( 0.1428571 0.3298234 0.6600607), wk = 0.0036765 k( 196) = ( 0.1517857 0.3177684 0.6750620), wk = 0.0036765 k( 197) = ( 0.1607143 0.3057135 0.6900634), wk = 0.0036765 k( 198) = ( 0.1696429 0.2936585 0.7050648), wk = 0.0036765 k( 199) = ( 0.1785714 0.2816036 0.7200662), wk = 0.0036765 k( 200) = ( 0.1875000 0.2695486 0.7350676), wk = 0.0036765 k( 201) = ( 0.1964286 0.2574937 0.7500689), wk = 0.0036765 k( 202) = ( 0.2053571 0.2454387 0.7650703), wk = 0.0036765 k( 203) = ( 0.2142857 0.2333837 0.7800717), wk = 0.0036765 k( 204) = ( 0.2232143 0.2213288 0.7950731), wk = 0.0036765 k( 205) = ( 0.2321429 0.2092738 0.8100744), wk = 0.0036765 k( 206) = ( 0.2410714 0.1972189 0.8250758), wk = 0.0036765 k( 207) = ( 0.2500000 0.1851639 0.8400772), wk = 0.0036765 k( 208) = ( 0.2500000 0.1851639 0.8400772), wk = 0.0036765 k( 209) = ( 0.2638889 0.1954508 0.8272760), wk = 0.0036765 k( 210) = ( 0.2777778 0.2057377 0.8144749), wk = 0.0036765 k( 211) = ( 0.2916667 0.2160246 0.8016737), wk = 0.0036765 k( 212) = ( 0.3055556 0.2263114 0.7888726), wk = 0.0036765 k( 213) = ( 0.3194444 0.2365983 0.7760714), wk = 0.0036765 k( 214) = ( 0.3333333 0.2468852 0.7632702), wk = 0.0036765 k( 215) = ( 0.3472222 0.2571721 0.7504691), wk = 0.0036765 k( 216) = ( 0.3611111 0.2674590 0.7376679), wk = 0.0036765 k( 217) = ( 0.3750000 0.2777459 0.7248667), wk = 0.0036765 k( 218) = ( 0.3888889 0.2880328 0.7120656), wk = 0.0036765 k( 219) = ( 0.4027778 0.2983196 0.6992644), wk = 0.0036765 k( 220) = ( 0.4166667 0.3086065 0.6864633), wk = 0.0036765 k( 221) = ( 0.4305556 0.3188934 0.6736621), wk = 0.0036765 k( 222) = ( 0.4444444 0.3291803 0.6608609), wk = 0.0036765 k( 223) = ( 0.4583333 0.3394672 0.6480598), wk = 0.0036765 k( 224) = ( 0.4722222 0.3497541 0.6352586), wk = 0.0036765 k( 225) = ( 0.4861111 0.3600409 0.6224575), wk = 0.0036765 k( 226) = ( 0.5000000 0.3703278 0.6096563), wk = 0.0036765 k( 227) = ( 0.5000000 0.3703278 0.6096563), wk = 0.0036765 k( 228) = ( 0.5000000 0.3703278 0.5886337), wk = 0.0036765 k( 229) = ( 0.5000000 0.3703278 0.5676110), wk = 0.0036765 k( 230) = ( 0.5000000 0.3703278 0.5465884), wk = 0.0036765 k( 231) = ( 0.5000000 0.3703278 0.5255658), wk = 0.0036765 k( 232) = ( 0.5000000 0.3703278 0.5045431), wk = 0.0036765 k( 233) = ( 0.5000000 0.3703278 0.4835205), wk = 0.0036765 k( 234) = ( 0.5000000 0.3703278 0.4624979), wk = 0.0036765 k( 235) = ( 0.5000000 0.3703278 0.4414753), wk = 0.0036765 k( 236) = ( 0.5000000 0.3703278 0.4204526), wk = 0.0036765 k( 237) = ( 0.5000000 0.3703278 0.3994300), wk = 0.0036765 k( 238) = ( 0.5000000 0.3703278 0.3784074), wk = 0.0036765 k( 239) = ( 0.5000000 0.3703278 0.3573847), wk = 0.0036765 k( 240) = ( 0.5000000 0.3703278 0.3363621), wk = 0.0036765 k( 241) = ( 0.5000000 0.3703278 0.3153395), wk = 0.0036765 k( 242) = ( 0.5000000 0.3703278 0.2943168), wk = 0.0036765 k( 243) = ( 0.5000000 0.3703278 0.2732942), wk = 0.0036765 k( 244) = ( 0.5000000 0.3703278 0.2522716), wk = 0.0036765 k( 245) = ( 0.5000000 0.3703278 0.2312489), wk = 0.0036765 k( 246) = ( 0.5000000 0.3703278 0.2102263), wk = 0.0036765 k( 247) = ( 0.5000000 0.3703278 0.1892037), wk = 0.0036765 k( 248) = ( 0.5000000 0.3703278 0.1681811), wk = 0.0036765 k( 249) = ( 0.5000000 0.3703278 0.1471584), wk = 0.0036765 k( 250) = ( 0.5000000 0.3703278 0.1261358), wk = 0.0036765 k( 251) = ( 0.5000000 0.3703278 0.1051131), wk = 0.0036765 k( 252) = ( 0.5000000 0.3703278 0.0840905), wk = 0.0036765 k( 253) = ( 0.5000000 0.3703278 0.0630679), wk = 0.0036765 k( 254) = ( 0.5000000 0.3703278 0.0420453), wk = 0.0036765 k( 255) = ( 0.5000000 0.3703278 0.0210226), wk = 0.0036765 k( 256) = ( 0.5000000 0.3703278 -0.0000000), wk = 0.0036765 k( 257) = ( 0.0000000 0.0000000 0.8400772), wk = 0.0036765 k( 258) = ( 0.0166667 0.0123443 0.8400772), wk = 0.0036765 k( 259) = ( 0.0333333 0.0246885 0.8400772), wk = 0.0036765 k( 260) = ( 0.0500000 0.0370328 0.8400772), wk = 0.0036765 k( 261) = ( 0.0666667 0.0493770 0.8400772), wk = 0.0036765 k( 262) = ( 0.0833333 0.0617213 0.8400772), wk = 0.0036765 k( 263) = ( 0.1000000 0.0740656 0.8400772), wk = 0.0036765 k( 264) = ( 0.1166667 0.0864098 0.8400772), wk = 0.0036765 k( 265) = ( 0.1333333 0.0987541 0.8400772), wk = 0.0036765 k( 266) = ( 0.1500000 0.1110983 0.8400772), wk = 0.0036765 k( 267) = ( 0.1666667 0.1234426 0.8400772), wk = 0.0036765 k( 268) = ( 0.1833333 0.1357869 0.8400772), wk = 0.0036765 k( 269) = ( 0.2000000 0.1481311 0.8400772), wk = 0.0036765 k( 270) = ( 0.2166667 0.1604754 0.8400772), wk = 0.0036765 k( 271) = ( 0.2333333 0.1728196 0.8400772), wk = 0.0036765 k( 272) = ( 0.2500000 0.1851639 0.8400772), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 42) = ( -0.0124675 0.0124675 0.5000000), wk = 0.0036765 k( 43) = ( -0.0249350 0.0249350 0.5000000), wk = 0.0036765 k( 44) = ( -0.0374025 0.0374025 0.5000000), wk = 0.0036765 k( 45) = ( -0.0498701 0.0498701 0.5000000), wk = 0.0036765 k( 46) = ( -0.0623376 0.0623376 0.5000000), wk = 0.0036765 k( 47) = ( -0.0748051 0.0748051 0.5000000), wk = 0.0036765 k( 48) = ( -0.0872726 0.0872726 0.5000000), wk = 0.0036765 k( 49) = ( -0.0997401 0.0997401 0.5000000), wk = 0.0036765 k( 50) = ( -0.1122077 0.1122077 0.5000000), wk = 0.0036765 k( 51) = ( -0.1246752 0.1246752 0.5000000), wk = 0.0036765 k( 52) = ( -0.1371427 0.1371427 0.5000000), wk = 0.0036765 k( 53) = ( -0.1371427 0.1371427 0.5000000), wk = 0.0036765 k( 54) = ( -0.1462141 0.1462141 0.4909286), wk = 0.0036765 k( 55) = ( -0.1552856 0.1552856 0.4818571), wk = 0.0036765 k( 56) = ( -0.1643570 0.1643570 0.4727857), wk = 0.0036765 k( 57) = ( -0.1734284 0.1734284 0.4637143), wk = 0.0036765 k( 58) = ( -0.1824999 0.1824999 0.4546428), wk = 0.0036765 k( 59) = ( -0.1915713 0.1915713 0.4455714), wk = 0.0036765 k( 60) = ( -0.2006427 0.2006427 0.4365000), wk = 0.0036765 k( 61) = ( -0.2097142 0.2097142 0.4274285), wk = 0.0036765 k( 62) = ( -0.2187856 0.2187856 0.4183571), wk = 0.0036765 k( 63) = ( -0.2278570 0.2278570 0.4092857), wk = 0.0036765 k( 64) = ( -0.2369285 0.2369284 0.4002142), wk = 0.0036765 k( 65) = ( -0.2459999 0.2459999 0.3911428), wk = 0.0036765 k( 66) = ( -0.2550713 0.2550713 0.3820714), wk = 0.0036765 k( 67) = ( -0.2641427 0.2641427 0.3729999), wk = 0.0036765 k( 68) = ( -0.2732142 0.2732142 0.3639285), wk = 0.0036765 k( 69) = ( -0.2822856 0.2822856 0.3548571), wk = 0.0036765 k( 70) = ( -0.2913571 0.2913570 0.3457856), wk = 0.0036765 k( 71) = ( -0.3004285 0.3004285 0.3367142), wk = 0.0036765 k( 72) = ( -0.3094999 0.3094999 0.3276428), wk = 0.0036765 k( 73) = ( -0.3185713 0.3185713 0.3185713), wk = 0.0036765 k( 74) = ( -0.3185713 0.3185713 0.3185713), wk = 0.0036765 k( 75) = ( -0.3094693 0.3094693 0.3094693), wk = 0.0036765 k( 76) = ( -0.3003673 0.3003673 0.3003673), wk = 0.0036765 k( 77) = ( -0.2912652 0.2912652 0.2912652), wk = 0.0036765 k( 78) = ( -0.2821632 0.2821632 0.2821632), wk = 0.0036765 k( 79) = ( -0.2730612 0.2730612 0.2730612), wk = 0.0036765 k( 80) = ( -0.2639591 0.2639591 0.2639591), wk = 0.0036765 k( 81) = ( -0.2548571 0.2548571 0.2548571), wk = 0.0036765 k( 82) = ( -0.2457550 0.2457550 0.2457550), wk = 0.0036765 k( 83) = ( -0.2366530 0.2366530 0.2366530), wk = 0.0036765 k( 84) = ( -0.2275510 0.2275510 0.2275510), wk = 0.0036765 k( 85) = ( -0.2184489 0.2184489 0.2184489), wk = 0.0036765 k( 86) = ( -0.2093469 0.2093469 0.2093469), wk = 0.0036765 k( 87) = ( -0.2002449 0.2002448 0.2002449), wk = 0.0036765 k( 88) = ( -0.1911428 0.1911428 0.1911428), wk = 0.0036765 k( 89) = ( -0.1820408 0.1820408 0.1820408), wk = 0.0036765 k( 90) = ( -0.1729387 0.1729387 0.1729387), wk = 0.0036765 k( 91) = ( -0.1638367 0.1638367 0.1638367), wk = 0.0036765 k( 92) = ( -0.1547347 0.1547347 0.1547347), wk = 0.0036765 k( 93) = ( -0.1456326 0.1456326 0.1456326), wk = 0.0036765 k( 94) = ( -0.1365306 0.1365306 0.1365306), wk = 0.0036765 k( 95) = ( -0.1274285 0.1274285 0.1274285), wk = 0.0036765 k( 96) = ( -0.1183265 0.1183265 0.1183265), wk = 0.0036765 k( 97) = ( -0.1092245 0.1092245 0.1092245), wk = 0.0036765 k( 98) = ( -0.1001224 0.1001224 0.1001224), wk = 0.0036765 k( 99) = ( -0.0910204 0.0910204 0.0910204), wk = 0.0036765 k( 100) = ( -0.0819184 0.0819183 0.0819184), wk = 0.0036765 k( 101) = ( -0.0728163 0.0728163 0.0728163), wk = 0.0036765 k( 102) = ( -0.0637143 0.0637143 0.0637143), wk = 0.0036765 k( 103) = ( -0.0546122 0.0546122 0.0546122), wk = 0.0036765 k( 104) = ( -0.0455102 0.0455102 0.0455102), wk = 0.0036765 k( 105) = ( -0.0364082 0.0364081 0.0364082), wk = 0.0036765 k( 106) = ( -0.0273061 0.0273061 0.0273061), wk = 0.0036765 k( 107) = ( -0.0182041 0.0182041 0.0182041), wk = 0.0036765 k( 108) = ( -0.0091020 0.0091020 0.0091020), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0036765 k( 112) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0036765 k( 113) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0036765 k( 114) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0036765 k( 115) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0036765 k( 116) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0036765 k( 117) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0036765 k( 118) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0036765 k( 119) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0036765 k( 120) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0036765 k( 121) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0036765 k( 122) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0036765 k( 123) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0036765 k( 124) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0036765 k( 125) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0036765 k( 126) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0036765 k( 127) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0036765 k( 128) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0036765 k( 129) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0036765 k( 130) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0036765 k( 131) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0036765 k( 132) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0036765 k( 133) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0036765 k( 134) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0036765 k( 135) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0036765 k( 136) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0036765 k( 137) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0036765 k( 138) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0036765 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 141) = ( 0.4909286 0.5090714 -0.4909286), wk = 0.0036765 k( 142) = ( 0.4818571 0.5181429 -0.4818571), wk = 0.0036765 k( 143) = ( 0.4727857 0.5272143 -0.4727857), wk = 0.0036765 k( 144) = ( 0.4637143 0.5362857 -0.4637143), wk = 0.0036765 k( 145) = ( 0.4546428 0.5453572 -0.4546428), wk = 0.0036765 k( 146) = ( 0.4455714 0.5544286 -0.4455714), wk = 0.0036765 k( 147) = ( 0.4365000 0.5635000 -0.4365000), wk = 0.0036765 k( 148) = ( 0.4274285 0.5725715 -0.4274285), wk = 0.0036765 k( 149) = ( 0.4183571 0.5816429 -0.4183571), wk = 0.0036765 k( 150) = ( 0.4092857 0.5907143 -0.4092857), wk = 0.0036765 k( 151) = ( 0.4002142 0.5997858 -0.4002142), wk = 0.0036765 k( 152) = ( 0.3911428 0.6088572 -0.3911428), wk = 0.0036765 k( 153) = ( 0.3820714 0.6179286 -0.3820714), wk = 0.0036765 k( 154) = ( 0.3729999 0.6270001 -0.3729999), wk = 0.0036765 k( 155) = ( 0.3639285 0.6360715 -0.3639285), wk = 0.0036765 k( 156) = ( 0.3548571 0.6451429 -0.3548571), wk = 0.0036765 k( 157) = ( 0.3457856 0.6542143 -0.3457856), wk = 0.0036765 k( 158) = ( 0.3367142 0.6632858 -0.3367142), wk = 0.0036765 k( 159) = ( 0.3276428 0.6723572 -0.3276428), wk = 0.0036765 k( 160) = ( 0.3185713 0.6814286 -0.3185713), wk = 0.0036765 k( 161) = ( 0.3185713 0.6814286 -0.3185713), wk = 0.0036765 k( 162) = ( 0.2998319 0.6707564 -0.2998319), wk = 0.0036765 k( 163) = ( 0.2810924 0.6600841 -0.2810924), wk = 0.0036765 k( 164) = ( 0.2623529 0.6494118 -0.2623529), wk = 0.0036765 k( 165) = ( 0.2436134 0.6387396 -0.2436134), wk = 0.0036765 k( 166) = ( 0.2248739 0.6280673 -0.2248739), wk = 0.0036765 k( 167) = ( 0.2061344 0.6173950 -0.2061344), wk = 0.0036765 k( 168) = ( 0.1873949 0.6067227 -0.1873949), wk = 0.0036765 k( 169) = ( 0.1686554 0.5960505 -0.1686554), wk = 0.0036765 k( 170) = ( 0.1499159 0.5853782 -0.1499159), wk = 0.0036765 k( 171) = ( 0.1311764 0.5747059 -0.1311764), wk = 0.0036765 k( 172) = ( 0.1124369 0.5640336 -0.1124370), wk = 0.0036765 k( 173) = ( 0.0936975 0.5533614 -0.0936975), wk = 0.0036765 k( 174) = ( 0.0749580 0.5426891 -0.0749580), wk = 0.0036765 k( 175) = ( 0.0562185 0.5320168 -0.0562185), wk = 0.0036765 k( 176) = ( 0.0374790 0.5213446 -0.0374790), wk = 0.0036765 k( 177) = ( 0.0187395 0.5106723 -0.0187395), wk = 0.0036765 k( 178) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 179) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 180) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036765 k( 181) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036765 k( 182) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036765 k( 183) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036765 k( 184) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036765 k( 185) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036765 k( 186) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036765 k( 187) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036765 k( 188) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036765 k( 189) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036765 k( 190) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036765 k( 191) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036765 k( 192) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036765 k( 193) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036765 k( 194) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036765 k( 195) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036765 k( 196) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036765 k( 197) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036765 k( 198) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036765 k( 199) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036765 k( 200) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036765 k( 201) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036765 k( 202) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036765 k( 203) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036765 k( 204) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036765 k( 205) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036765 k( 206) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036765 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 209) = ( 0.2638889 0.2638889 0.2284921), wk = 0.0036765 k( 210) = ( 0.2777778 0.2777778 0.2069841), wk = 0.0036765 k( 211) = ( 0.2916667 0.2916667 0.1854762), wk = 0.0036765 k( 212) = ( 0.3055556 0.3055556 0.1639683), wk = 0.0036765 k( 213) = ( 0.3194444 0.3194444 0.1424604), wk = 0.0036765 k( 214) = ( 0.3333333 0.3333333 0.1209524), wk = 0.0036765 k( 215) = ( 0.3472222 0.3472222 0.0994445), wk = 0.0036765 k( 216) = ( 0.3611111 0.3611111 0.0779366), wk = 0.0036765 k( 217) = ( 0.3750000 0.3750000 0.0564286), wk = 0.0036765 k( 218) = ( 0.3888889 0.3888889 0.0349207), wk = 0.0036765 k( 219) = ( 0.4027778 0.4027778 0.0134128), wk = 0.0036765 k( 220) = ( 0.4166667 0.4166667 -0.0080951), wk = 0.0036765 k( 221) = ( 0.4305556 0.4305556 -0.0296031), wk = 0.0036765 k( 222) = ( 0.4444444 0.4444444 -0.0511110), wk = 0.0036765 k( 223) = ( 0.4583333 0.4583333 -0.0726189), wk = 0.0036765 k( 224) = ( 0.4722222 0.4722222 -0.0941268), wk = 0.0036765 k( 225) = ( 0.4861111 0.4861111 -0.1156348), wk = 0.0036765 k( 226) = ( 0.5000000 0.5000000 -0.1371427), wk = 0.0036765 k( 227) = ( 0.5000000 0.5000000 -0.1371427), wk = 0.0036765 k( 228) = ( 0.5000000 0.5000000 -0.1496550), wk = 0.0036765 k( 229) = ( 0.5000000 0.5000000 -0.1621673), wk = 0.0036765 k( 230) = ( 0.5000000 0.5000000 -0.1746797), wk = 0.0036765 k( 231) = ( 0.5000000 0.5000000 -0.1871920), wk = 0.0036765 k( 232) = ( 0.5000000 0.5000000 -0.1997043), wk = 0.0036765 k( 233) = ( 0.5000000 0.5000000 -0.2122166), wk = 0.0036765 k( 234) = ( 0.5000000 0.5000000 -0.2247289), wk = 0.0036765 k( 235) = ( 0.5000000 0.5000000 -0.2372413), wk = 0.0036765 k( 236) = ( 0.5000000 0.5000000 -0.2497536), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 -0.2622659), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 -0.2747782), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 -0.2872905), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 -0.2998029), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 -0.3123152), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 -0.3248275), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 -0.3373398), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 -0.3498522), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 -0.3623645), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 -0.3748768), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 -0.3873891), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 -0.3999014), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 -0.4124138), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 -0.4249261), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 -0.4374384), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 -0.4499507), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 -0.4624630), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 -0.4749754), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 -0.4874877), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 258) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0036765 k( 259) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0036765 k( 260) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0036765 k( 261) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0036765 k( 262) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0036765 k( 263) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0036765 k( 264) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0036765 k( 265) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0036765 k( 266) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0036765 k( 267) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0036765 k( 268) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0036765 k( 269) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0036765 k( 270) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0036765 k( 271) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0036765 k( 272) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 Dense grid: 81485 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 54793 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 194, 82) NL pseudopotentials 0.40 Mb ( 97, 272) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1133) G-vector shells 0.00 Mb ( 548) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.97 Mb ( 194, 328) Each subspace H/S matrix 0.04 Mb ( 54, 54) Each matrix 0.68 Mb ( 272, 2, 82) The potential is recalculated from file : ./FeAg2SnS4.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 7.1 secs Computing kpt #: 3 total cpu time spent up to now is 8.5 secs Computing kpt #: 4 total cpu time spent up to now is 10.2 secs Computing kpt #: 5 total cpu time spent up to now is 11.5 secs Computing kpt #: 6 total cpu time spent up to now is 12.9 secs Computing kpt #: 7 total cpu time spent up to now is 14.3 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 17.1 secs Computing kpt #: 10 total cpu time spent up to now is 18.5 secs Computing kpt #: 11 total cpu time spent up to now is 19.9 secs Computing kpt #: 12 total cpu time spent up to now is 21.3 secs Computing kpt #: 13 total cpu time spent up to now is 22.7 secs Computing kpt #: 14 total cpu time spent up to now is 24.1 secs Computing kpt #: 15 total cpu time spent up to now is 25.5 secs Computing kpt #: 16 total cpu time spent up to now is 26.9 secs Computing kpt #: 17 total cpu time spent up to now is 28.3 secs Computing kpt #: 18 total cpu time spent up to now is 29.9 secs Computing kpt #: 19 total cpu time spent up to now is 31.6 secs Computing kpt #: 20 total cpu time spent up to now is 32.9 secs Computing kpt #: 21 total cpu time spent up to now is 34.3 secs Computing kpt #: 22 total cpu time spent up to now is 35.8 secs Computing kpt #: 23 total cpu time spent up to now is 37.2 secs Computing kpt #: 24 total cpu time spent up to now is 38.6 secs Computing kpt #: 25 total cpu time spent up to now is 40.0 secs Computing kpt #: 26 total cpu time spent up to now is 41.4 secs Computing kpt #: 27 total cpu time spent up to now is 42.9 secs Computing kpt #: 28 total cpu time spent up to now is 44.3 secs Computing kpt #: 29 total cpu time spent up to now is 45.7 secs Computing kpt #: 30 total cpu time spent up to now is 47.2 secs Computing kpt #: 31 total cpu time spent up to now is 48.6 secs Computing kpt #: 32 total cpu time spent up to now is 50.0 secs Computing kpt #: 33 total cpu time spent up to now is 51.5 secs Computing kpt #: 34 total cpu time spent up to now is 53.0 secs Computing kpt #: 35 total cpu time spent up to now is 54.5 secs Computing kpt #: 36 total cpu time spent up to now is 56.1 secs Computing kpt #: 37 total cpu time spent up to now is 57.6 secs Computing kpt #: 38 total cpu time spent up to now is 59.1 secs Computing kpt #: 39 total cpu time spent up to now is 60.9 secs Computing kpt #: 40 total cpu time spent up to now is 62.6 secs Computing kpt #: 41 total cpu time spent up to now is 64.3 secs Computing kpt #: 42 total cpu time spent up to now is 66.0 secs Computing kpt #: 43 total cpu time spent up to now is 67.7 secs Computing kpt #: 44 total cpu time spent up to now is 69.4 secs Computing kpt #: 45 total cpu time spent up to now is 71.1 secs Computing kpt #: 46 total cpu time spent up to now is 72.8 secs Computing kpt #: 47 total cpu time spent up to now is 74.3 secs Computing kpt #: 48 total cpu time spent up to now is 75.9 secs Computing kpt #: 49 total cpu time spent up to now is 77.3 secs Computing kpt #: 50 total cpu time spent up to now is 78.8 secs Computing kpt #: 51 total cpu time spent up to now is 80.3 secs Computing kpt #: 52 total cpu time spent up to now is 81.7 secs Computing kpt #: 53 total cpu time spent up to now is 83.1 secs Computing kpt #: 54 total cpu time spent up to now is 84.6 secs Computing kpt #: 55 total cpu time spent up to now is 86.0 secs Computing kpt #: 56 total cpu time spent up to now is 87.5 secs Computing kpt #: 57 total cpu time spent up to now is 88.9 secs Computing kpt #: 58 total cpu time spent up to now is 90.4 secs Computing kpt #: 59 total cpu time spent up to now is 91.8 secs Computing kpt #: 60 total cpu time spent up to now is 93.2 secs Computing kpt #: 61 total cpu time spent up to now is 94.6 secs Computing kpt #: 62 total cpu time spent up to now is 96.1 secs Computing kpt #: 63 total cpu time spent up to now is 97.5 secs Computing kpt #: 64 total cpu time spent up to now is 99.0 secs Computing kpt #: 65 total cpu time spent up to now is 100.4 secs Computing kpt #: 66 total cpu time spent up to now is 102.0 secs Computing kpt #: 67 total cpu time spent up to now is 103.5 secs Computing kpt #: 68 total cpu time spent up to now is 105.0 secs Computing kpt #: 69 total cpu time spent up to now is 106.5 secs Computing kpt #: 70 total cpu time spent up to now is 108.2 secs Computing kpt #: 71 total cpu time spent up to now is 109.7 secs Computing kpt #: 72 total cpu time spent up to now is 111.2 secs Computing kpt #: 73 total cpu time spent up to now is 113.0 secs Computing kpt #: 74 total cpu time spent up to now is 114.5 secs Computing kpt #: 75 total cpu time spent up to now is 116.2 secs Computing kpt #: 76 total cpu time spent up to now is 117.9 secs Computing kpt #: 77 total cpu time spent up to now is 119.6 secs Computing kpt #: 78 total cpu time spent up to now is 121.3 secs Computing kpt #: 79 total cpu time spent up to now is 123.0 secs Computing kpt #: 80 total cpu time spent up to now is 124.6 secs Computing kpt #: 81 total cpu time spent up to now is 126.4 secs Computing kpt #: 82 total cpu time spent up to now is 127.9 secs Computing kpt #: 83 total cpu time spent up to now is 129.4 secs Computing kpt #: 84 total cpu time spent up to now is 130.9 secs Computing kpt #: 85 total cpu time spent up to now is 132.4 secs Computing kpt #: 86 total cpu time spent up to now is 133.8 secs Computing kpt #: 87 total cpu time spent up to now is 135.3 secs Computing kpt #: 88 total cpu time spent up to now is 136.8 secs Computing kpt #: 89 total cpu time spent up to now is 138.2 secs Computing kpt #: 90 total cpu time spent up to now is 139.5 secs Computing kpt #: 91 total cpu time spent up to now is 141.0 secs Computing kpt #: 92 total cpu time spent up to now is 142.4 secs Computing kpt #: 93 total cpu time spent up to now is 143.8 secs Computing kpt #: 94 total cpu time spent up to now is 145.2 secs Computing kpt #: 95 total cpu time spent up to now is 146.6 secs Computing kpt #: 96 total cpu time spent up to now is 148.0 secs Computing kpt #: 97 total cpu time spent up to now is 149.4 secs Computing kpt #: 98 total cpu time spent up to now is 150.8 secs Computing kpt #: 99 total cpu time spent up to now is 152.2 secs Computing kpt #: 100 total cpu time spent up to now is 153.6 secs Computing kpt #: 101 total cpu time spent up to now is 155.0 secs Computing kpt #: 102 total cpu time spent up to now is 156.4 secs Computing kpt #: 103 total cpu time spent up to now is 157.7 secs Computing kpt #: 104 total cpu time spent up to now is 159.1 secs Computing kpt #: 105 total cpu time spent up to now is 160.5 secs Computing kpt #: 106 total cpu time spent up to now is 161.8 secs Computing kpt #: 107 total cpu time spent up to now is 163.2 secs Computing kpt #: 108 total cpu time spent up to now is 164.5 secs Computing kpt #: 109 total cpu time spent up to now is 165.9 secs Computing kpt #: 110 total cpu time spent up to now is 167.2 secs Computing kpt #: 111 total cpu time spent up to now is 168.6 secs Computing kpt #: 112 total cpu time spent up to now is 169.9 secs Computing kpt #: 113 total cpu time spent up to now is 171.3 secs Computing kpt #: 114 total cpu time spent up to now is 172.7 secs Computing kpt #: 115 total cpu time spent up to now is 174.0 secs Computing kpt #: 116 total cpu time spent up to now is 175.4 secs Computing kpt #: 117 total cpu time spent up to now is 176.8 secs Computing kpt #: 118 total cpu time spent up to now is 178.2 secs Computing kpt #: 119 total cpu time spent up to now is 179.5 secs Computing kpt #: 120 total cpu time spent up to now is 180.9 secs Computing kpt #: 121 total cpu time spent up to now is 182.3 secs Computing kpt #: 122 total cpu time spent up to now is 183.6 secs Computing kpt #: 123 total cpu time spent up to now is 185.0 secs Computing kpt #: 124 total cpu time spent up to now is 186.3 secs Computing kpt #: 125 total cpu time spent up to now is 187.7 secs Computing kpt #: 126 total cpu time spent up to now is 189.1 secs Computing kpt #: 127 total cpu time spent up to now is 190.5 secs Computing kpt #: 128 total cpu time spent up to now is 191.9 secs Computing kpt #: 129 total cpu time spent up to now is 193.3 secs Computing kpt #: 130 total cpu time spent up to now is 194.8 secs Computing kpt #: 131 total cpu time spent up to now is 196.2 secs Computing kpt #: 132 total cpu time spent up to now is 197.6 secs Computing kpt #: 133 total cpu time spent up to now is 199.0 secs Computing kpt #: 134 total cpu time spent up to now is 200.4 secs Computing kpt #: 135 total cpu time spent up to now is 201.8 secs Computing kpt #: 136 total cpu time spent up to now is 203.2 secs Computing kpt #: 137 total cpu time spent up to now is 204.7 secs Computing kpt #: 138 total cpu time spent up to now is 206.1 secs Computing kpt #: 139 total cpu time spent up to now is 207.5 secs Computing kpt #: 140 total cpu time spent up to now is 208.9 secs Computing kpt #: 141 total cpu time spent up to now is 210.3 secs Computing kpt #: 142 total cpu time spent up to now is 211.7 secs Computing kpt #: 143 total cpu time spent up to now is 213.1 secs Computing kpt #: 144 total cpu time spent up to now is 214.5 secs Computing kpt #: 145 total cpu time spent up to now is 215.9 secs Computing kpt #: 146 total cpu time spent up to now is 217.3 secs Computing kpt #: 147 total cpu time spent up to now is 218.7 secs Computing kpt #: 148 total cpu time spent up to now is 220.2 secs Computing kpt #: 149 total cpu time spent up to now is 221.6 secs Computing kpt #: 150 total cpu time spent up to now is 223.0 secs Computing kpt #: 151 total cpu time spent up to now is 224.4 secs Computing kpt #: 152 total cpu time spent up to now is 225.9 secs Computing kpt #: 153 total cpu time spent up to now is 227.3 secs Computing kpt #: 154 total cpu time spent up to now is 228.8 secs Computing kpt #: 155 total cpu time spent up to now is 230.2 secs Computing kpt #: 156 total cpu time spent up to now is 231.7 secs Computing kpt #: 157 total cpu time spent up to now is 233.2 secs Computing kpt #: 158 total cpu time spent up to now is 234.7 secs Computing kpt #: 159 total cpu time spent up to now is 236.2 secs Computing kpt #: 160 total cpu time spent up to now is 237.7 secs Computing kpt #: 161 total cpu time spent up to now is 239.5 secs Computing kpt #: 162 total cpu time spent up to now is 241.1 secs Computing kpt #: 163 total cpu time spent up to now is 242.8 secs Computing kpt #: 164 total cpu time spent up to now is 244.3 secs Computing kpt #: 165 total cpu time spent up to now is 245.9 secs Computing kpt #: 166 total cpu time spent up to now is 247.4 secs Computing kpt #: 167 total cpu time spent up to now is 248.9 secs Computing kpt #: 168 total cpu time spent up to now is 250.5 secs Computing kpt #: 169 total cpu time spent up to now is 252.0 secs Computing kpt #: 170 total cpu time spent up to now is 253.5 secs Computing kpt #: 171 total cpu time spent up to now is 255.0 secs Computing kpt #: 172 total cpu time spent up to now is 256.7 secs Computing kpt #: 173 total cpu time spent up to now is 258.2 secs Computing kpt #: 174 total cpu time spent up to now is 259.9 secs Computing kpt #: 175 total cpu time spent up to now is 261.6 secs Computing kpt #: 176 total cpu time spent up to now is 263.3 secs Computing kpt #: 177 total cpu time spent up to now is 265.1 secs Computing kpt #: 178 total cpu time spent up to now is 266.8 secs Computing kpt #: 179 total cpu time spent up to now is 268.5 secs Computing kpt #: 180 total cpu time spent up to now is 270.3 secs Computing kpt #: 181 total cpu time spent up to now is 272.0 secs Computing kpt #: 182 total cpu time spent up to now is 273.7 secs Computing kpt #: 183 total cpu time spent up to now is 275.4 secs Computing kpt #: 184 total cpu time spent up to now is 277.1 secs Computing kpt #: 185 total cpu time spent up to now is 278.9 secs Computing kpt #: 186 total cpu time spent up to now is 280.6 secs Computing kpt #: 187 total cpu time spent up to now is 282.3 secs Computing kpt #: 188 total cpu time spent up to now is 284.1 secs Computing kpt #: 189 total cpu time spent up to now is 285.8 secs Computing kpt #: 190 total cpu time spent up to now is 287.6 secs Computing kpt #: 191 total cpu time spent up to now is 289.3 secs Computing kpt #: 192 total cpu time spent up to now is 291.0 secs Computing kpt #: 193 total cpu time spent up to now is 292.7 secs Computing kpt #: 194 total cpu time spent up to now is 294.4 secs Computing kpt #: 195 total cpu time spent up to now is 296.2 secs Computing kpt #: 196 total cpu time spent up to now is 297.9 secs Computing kpt #: 197 total cpu time spent up to now is 299.6 secs Computing kpt #: 198 total cpu time spent up to now is 301.4 secs Computing kpt #: 199 total cpu time spent up to now is 303.1 secs Computing kpt #: 200 total cpu time spent up to now is 304.8 secs Computing kpt #: 201 total cpu time spent up to now is 306.5 secs Computing kpt #: 202 total cpu time spent up to now is 308.3 secs Computing kpt #: 203 total cpu time spent up to now is 310.4 secs Computing kpt #: 204 total cpu time spent up to now is 312.1 secs Computing kpt #: 205 total cpu time spent up to now is 313.6 secs Computing kpt #: 206 total cpu time spent up to now is 315.1 secs Computing kpt #: 207 total cpu time spent up to now is 316.7 secs Computing kpt #: 208 total cpu time spent up to now is 318.4 secs Computing kpt #: 209 total cpu time spent up to now is 320.1 secs Computing kpt #: 210 total cpu time spent up to now is 321.8 secs Computing kpt #: 211 total cpu time spent up to now is 323.5 secs Computing kpt #: 212 total cpu time spent up to now is 325.2 secs Computing kpt #: 213 total cpu time spent up to now is 326.9 secs Computing kpt #: 214 total cpu time spent up to now is 328.6 secs Computing kpt #: 215 total cpu time spent up to now is 330.7 secs Computing kpt #: 216 total cpu time spent up to now is 332.5 secs Computing kpt #: 217 total cpu time spent up to now is 334.2 secs Computing kpt #: 218 total cpu time spent up to now is 335.9 secs Computing kpt #: 219 total cpu time spent up to now is 337.6 secs Computing kpt #: 220 total cpu time spent up to now is 339.3 secs Computing kpt #: 221 total cpu time spent up to now is 340.9 secs Computing kpt #: 222 total cpu time spent up to now is 342.4 secs Computing kpt #: 223 total cpu time spent up to now is 343.9 secs Computing kpt #: 224 total cpu time spent up to now is 345.4 secs Computing kpt #: 225 total cpu time spent up to now is 346.8 secs Computing kpt #: 226 total cpu time spent up to now is 348.3 secs Computing kpt #: 227 total cpu time spent up to now is 349.7 secs Computing kpt #: 228 total cpu time spent up to now is 351.2 secs Computing kpt #: 229 total cpu time spent up to now is 352.6 secs Computing kpt #: 230 total cpu time spent up to now is 354.0 secs Computing kpt #: 231 total cpu time spent up to now is 355.5 secs Computing kpt #: 232 total cpu time spent up to now is 356.8 secs Computing kpt #: 233 total cpu time spent up to now is 358.2 secs Computing kpt #: 234 total cpu time spent up to now is 359.6 secs Computing kpt #: 235 total cpu time spent up to now is 361.0 secs Computing kpt #: 236 total cpu time spent up to now is 362.4 secs Computing kpt #: 237 total cpu time spent up to now is 363.8 secs Computing kpt #: 238 total cpu time spent up to now is 365.2 secs Computing kpt #: 239 total cpu time spent up to now is 366.7 secs Computing kpt #: 240 total cpu time spent up to now is 368.0 secs Computing kpt #: 241 total cpu time spent up to now is 369.4 secs Computing kpt #: 242 total cpu time spent up to now is 370.8 secs Computing kpt #: 243 total cpu time spent up to now is 372.2 secs Computing kpt #: 244 total cpu time spent up to now is 373.6 secs Computing kpt #: 245 total cpu time spent up to now is 375.0 secs Computing kpt #: 246 total cpu time spent up to now is 376.4 secs Computing kpt #: 247 total cpu time spent up to now is 377.9 secs Computing kpt #: 248 total cpu time spent up to now is 379.2 secs Computing kpt #: 249 total cpu time spent up to now is 380.7 secs Computing kpt #: 250 total cpu time spent up to now is 382.0 secs Computing kpt #: 251 total cpu time spent up to now is 383.4 secs Computing kpt #: 252 total cpu time spent up to now is 384.8 secs Computing kpt #: 253 total cpu time spent up to now is 386.2 secs Computing kpt #: 254 total cpu time spent up to now is 387.6 secs Computing kpt #: 255 total cpu time spent up to now is 389.0 secs Computing kpt #: 256 total cpu time spent up to now is 390.4 secs Computing kpt #: 257 total cpu time spent up to now is 392.1 secs Computing kpt #: 258 total cpu time spent up to now is 393.9 secs Computing kpt #: 259 total cpu time spent up to now is 395.6 secs Computing kpt #: 260 total cpu time spent up to now is 397.3 secs Computing kpt #: 261 total cpu time spent up to now is 399.0 secs Computing kpt #: 262 total cpu time spent up to now is 400.7 secs Computing kpt #: 263 total cpu time spent up to now is 402.4 secs Computing kpt #: 264 total cpu time spent up to now is 404.1 secs Computing kpt #: 265 total cpu time spent up to now is 405.8 secs Computing kpt #: 266 total cpu time spent up to now is 407.5 secs Computing kpt #: 267 total cpu time spent up to now is 409.1 secs Computing kpt #: 268 total cpu time spent up to now is 410.9 secs Computing kpt #: 269 total cpu time spent up to now is 412.6 secs Computing kpt #: 270 total cpu time spent up to now is 414.3 secs Computing kpt #: 271 total cpu time spent up to now is 415.9 secs Computing kpt #: 272 total cpu time spent up to now is 417.6 secs ethr = 1.47E-08, avg # of iterations = 18.8 total cpu time spent up to now is 417.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6763 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0096 -7.0096 -5.9646 -5.9646 -5.9497 -5.9497 -5.9255 -5.9255 -0.6219 -0.6219 1.2323 1.2323 1.4810 1.4810 1.6034 1.6034 1.7654 1.7654 1.8095 1.8095 1.8795 1.8795 2.1129 2.1129 2.5288 2.5288 2.5994 2.5994 2.9576 2.9576 3.0507 3.0507 3.1731 3.1731 3.3295 3.3295 3.6695 3.6695 3.8092 3.8092 3.8218 3.8218 4.1245 4.1245 4.3301 4.3301 5.6441 5.6441 5.9365 5.9365 5.9949 5.9949 6.0763 6.0763 6.8617 6.8617 7.2583 7.2583 7.5891 7.5891 7.6126 7.6126 7.7069 7.7069 9.2939 9.2939 10.2402 10.2402 10.6078 10.6078 10.8577 10.8577 k = 0.0000 0.0000 0.0215 ( 6771 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0090 -7.0090 -5.9651 -5.9649 -5.9501 -5.9501 -5.9259 -5.9252 -0.6218 -0.6212 1.2322 1.2335 1.4802 1.4818 1.5961 1.6109 1.7626 1.7675 1.8078 1.8109 1.8732 1.8872 2.1033 2.1191 2.5269 2.5283 2.5925 2.6043 2.9528 2.9543 3.0279 3.0749 3.1742 3.1763 3.3205 3.3379 3.6608 3.6701 3.8001 3.8115 3.8231 3.8366 4.1181 4.1376 4.3323 4.3352 5.6433 5.6445 5.9309 5.9377 5.9894 5.9959 6.0743 6.0817 6.8610 6.8630 7.2474 7.2592 7.5895 7.5937 7.6126 7.6173 7.7034 7.7076 9.2964 9.2986 10.2397 10.2406 10.6061 10.6114 10.8576 10.8585 k = 0.0000 0.0000 0.0431 ( 6775 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0071 -7.0070 -5.9664 -5.9661 -5.9513 -5.9513 -5.9264 -5.9249 -0.6210 -0.6199 1.2333 1.2359 1.4792 1.4824 1.5892 1.6185 1.7591 1.7691 1.8058 1.8119 1.8684 1.8964 2.0906 2.1216 2.5208 2.5266 2.5858 2.6060 2.9410 2.9430 3.0110 3.0930 3.1766 3.1885 3.3105 3.3471 3.6443 3.6633 3.7952 3.8089 3.8377 3.8567 4.1191 4.1566 4.3418 4.3475 5.6420 5.6446 5.9198 5.9345 5.9814 5.9924 6.0760 6.0900 6.8611 6.8652 7.2281 7.2502 7.5933 7.5966 7.6212 7.6279 7.6967 7.7062 9.3061 9.3105 10.2394 10.2409 10.6062 10.6171 10.8582 10.8600 k = 0.0000 0.0000 0.0646 ( 6785 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0038 -7.0038 -5.9684 -5.9681 -5.9533 -5.9533 -5.9269 -5.9246 -0.6196 -0.6179 1.2354 1.2392 1.4781 1.4829 1.5828 1.6262 1.7548 1.7702 1.8038 1.8126 1.8649 1.9068 2.0755 2.1203 2.5083 2.5245 2.5810 2.6034 2.9215 2.9301 2.9980 3.1004 3.1786 3.2111 3.3006 3.3588 3.6215 3.6503 3.7938 3.8121 3.8539 3.8814 4.1272 4.1804 4.3587 4.3670 5.6401 5.6441 5.9015 5.9260 5.9731 5.9859 6.0810 6.1004 6.8620 6.8680 7.2029 7.2335 7.5950 7.5962 7.6366 7.6470 7.6868 7.7053 9.3229 9.3292 10.2392 10.2407 10.6082 10.6251 10.8596 10.8623 k = 0.0000 0.0000 0.0862 ( 6795 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9994 -6.9993 -5.9713 -5.9710 -5.9561 -5.9558 -5.9274 -5.9245 -0.6176 -0.6153 1.2385 1.2436 1.4771 1.4833 1.5769 1.6337 1.7498 1.7712 1.8019 1.8131 1.8628 1.9186 2.0583 2.1150 2.4889 2.5220 2.5787 2.5958 2.9013 2.9154 2.9848 3.0990 3.1788 3.2360 3.2962 3.3740 3.5944 3.6323 3.7945 3.8192 3.8725 3.9106 4.1416 4.2075 4.3830 4.3933 5.6372 5.6429 5.8756 5.9110 5.9656 5.9788 6.0886 6.1128 6.8637 6.8715 7.1740 7.2114 7.5912 7.5970 7.6477 7.6706 7.6763 7.7112 9.3464 9.3543 10.2392 10.2397 10.6119 10.6353 10.8620 10.8654 k = 0.0000 0.0000 0.1077 ( 6807 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9936 -6.9935 -5.9751 -5.9749 -5.9595 -5.9589 -5.9280 -5.9244 -0.6150 -0.6122 1.2424 1.2488 1.4762 1.4837 1.5717 1.6410 1.7439 1.7719 1.8004 1.8137 1.8620 1.9315 2.0396 2.1061 2.4633 2.5186 2.5783 2.5833 2.8836 2.8991 2.9697 3.0921 3.1764 3.2444 3.3123 3.3931 3.5655 3.6116 3.7960 3.8278 3.8951 3.9437 4.1609 4.2367 4.4148 4.4262 5.6329 5.6408 5.8429 5.8892 5.9589 5.9724 6.0984 6.1271 6.8662 6.8756 7.1432 7.1862 7.5859 7.5960 7.6465 7.6570 7.7043 7.7296 9.3761 9.3853 10.2376 10.2390 10.6174 10.6479 10.8656 10.8697 k = 0.0000 0.0000 0.1292 ( 6811 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9866 -6.9865 -5.9798 -5.9797 -5.9635 -5.9626 -5.9287 -5.9244 -0.6120 -0.6087 1.2471 1.2546 1.4757 1.4844 1.5671 1.6478 1.7374 1.7726 1.7994 1.8146 1.8622 1.9456 2.0198 2.0939 2.4328 2.5126 2.5674 2.5790 2.8691 2.8817 2.9527 3.0812 3.1708 3.2363 3.3473 3.4151 3.5376 3.5900 3.7975 3.8358 3.9233 3.9808 4.1835 4.2665 4.4539 4.4655 5.6266 5.6370 5.8047 5.8615 5.9525 5.9668 6.1103 6.1431 6.8694 6.8803 7.1119 7.1594 7.5788 7.5935 7.6362 7.6381 7.7370 7.7566 9.4115 9.4216 10.2344 10.2386 10.6247 10.6625 10.8708 10.8753 k = 0.0000 0.0000 0.1508 ( 6827 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9784 -6.9782 -5.9857 -5.9852 -5.9679 -5.9666 -5.9295 -5.9245 -0.6087 -0.6048 1.2523 1.2608 1.4756 1.4852 1.5632 1.6541 1.7304 1.7731 1.7990 1.8162 1.8636 1.9608 1.9994 2.0788 2.3983 2.5000 2.5527 2.5801 2.8567 2.8629 2.9350 3.0666 3.1617 3.2235 3.3881 3.4367 3.5151 3.5693 3.7986 3.8425 3.9575 4.0215 4.2081 4.2960 4.5002 4.5106 5.6174 5.6304 5.7627 5.8297 5.9462 5.9614 6.1241 6.1609 6.8733 6.8855 7.0807 7.1319 7.5689 7.5883 7.6180 7.6221 7.7706 7.7869 9.4520 9.4624 10.2300 10.2377 10.6337 10.6787 10.8781 10.8824 k = 0.0000 0.0000 0.1723 ( 6829 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9690 -6.9688 -5.9924 -5.9917 -5.9728 -5.9710 -5.9304 -5.9248 -0.6051 -0.6008 1.2577 1.2673 1.4762 1.4864 1.5601 1.6598 1.7229 1.7732 1.7994 1.8187 1.8662 1.9770 1.9788 2.0612 2.3607 2.4776 2.5436 2.5812 2.8430 2.8444 2.9184 3.0483 3.1487 3.2101 3.4300 3.4478 3.5092 3.5515 3.7990 3.8481 3.9976 4.0658 4.2336 4.3249 4.5527 4.5609 5.6039 5.6179 5.7208 5.7959 5.9397 5.9560 6.1399 6.1801 6.8779 6.8909 7.0505 7.1047 7.5548 7.5760 7.6016 7.6076 7.8040 7.8180 9.4967 9.5069 10.2245 10.2363 10.6441 10.6960 10.8877 10.8912 k = 0.0000 0.0000 0.1939 ( 6825 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9584 -6.9582 -6.0000 -5.9989 -5.9781 -5.9758 -5.9315 -5.9252 -0.6015 -0.5968 1.2633 1.2736 1.4777 1.4883 1.5576 1.6648 1.7152 1.7727 1.8006 1.8221 1.8701 1.9586 1.9942 2.0416 2.3208 2.4473 2.5389 2.5821 2.8222 2.8296 2.9044 3.0259 3.1319 3.1973 3.4413 3.4695 3.5276 3.5399 3.7986 3.8526 4.0434 4.1136 4.2594 4.3530 4.6106 4.6158 5.5844 5.5934 5.6856 5.7623 5.9330 5.9504 6.1574 6.2009 6.8831 6.8964 7.0217 7.0781 7.5354 7.5529 7.5927 7.5949 7.8365 7.8490 9.5450 9.5544 10.2182 10.2343 10.6558 10.7132 10.9004 10.9019 k = 0.0000 0.0000 0.2154 ( 6813 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9467 -6.9464 -6.0084 -6.0070 -5.9836 -5.9809 -5.9327 -5.9258 -0.5980 -0.5928 1.2688 1.2794 1.4804 1.4908 1.5559 1.6693 1.7076 1.7714 1.8027 1.8261 1.8755 1.9394 2.0119 2.0210 2.2792 2.4129 2.5359 2.5825 2.8005 2.8111 2.8929 2.9993 3.1121 3.1859 3.4305 3.4949 3.5460 3.5571 3.7975 3.8565 4.0945 4.1647 4.2850 4.3804 4.6729 4.6745 5.5521 5.5571 5.6624 5.7314 5.9260 5.9445 6.1766 6.2229 6.8889 6.9013 6.9951 7.0524 7.5109 7.5242 7.5842 7.5866 7.8675 7.8789 9.5962 9.6039 10.2116 10.2318 10.6681 10.7296 10.9146 10.9164 k = 0.0000 0.0000 0.2369 ( 6821 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9339 -6.9335 -6.0175 -6.0157 -5.9895 -5.9863 -5.9341 -5.9266 -0.5947 -0.5891 1.2738 1.2845 1.4845 1.4944 1.5547 1.6734 1.7001 1.7691 1.8056 1.8304 1.8820 1.9222 1.9977 2.0320 2.2366 2.3765 2.5331 2.5819 2.7783 2.7895 2.8820 2.9689 3.0909 3.1759 3.4226 3.4975 3.5781 3.5902 3.7956 3.8596 4.1505 4.2187 4.3101 4.4075 4.7363 4.7385 5.4982 5.5211 5.6472 5.7044 5.9187 5.9381 6.1972 6.2459 6.8950 6.9042 6.9724 7.0280 7.4827 7.4927 7.5749 7.5808 7.8966 7.9073 9.6496 9.6546 10.2052 10.2288 10.6805 10.7442 10.9294 10.9360 k = 0.0000 0.0000 0.2585 ( 6821 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5069 -6.9200 -6.9196 -6.0272 -6.0251 -5.9956 -5.9921 -5.9357 -5.9277 -0.5918 -0.5858 1.2781 1.2886 1.4903 1.4990 1.5540 1.6770 1.6933 1.7657 1.8094 1.8343 1.8864 1.9112 1.9743 2.0520 2.1937 2.3394 2.5297 2.5801 2.7560 2.7661 2.8689 2.9358 3.0709 3.1674 3.4187 3.4947 3.6185 3.6248 3.7930 3.8622 4.2111 4.2748 4.3347 4.4349 4.8005 4.8068 5.4376 5.4771 5.6347 5.6811 5.9111 5.9314 6.2191 6.2698 6.9013 6.9016 6.9569 7.0053 7.4520 7.4596 7.5661 7.5748 7.9234 7.9337 9.7043 9.7054 10.2000 10.2258 10.6926 10.7564 10.9460 10.9587 k = 0.0000 0.0000 0.2800 ( 6823 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5069 -6.9052 -6.9047 -6.0373 -6.0350 -6.0020 -5.9982 -5.9376 -5.9291 -0.5893 -0.5830 1.2816 1.2916 1.4976 1.5049 1.5536 1.6805 1.6874 1.7609 1.8138 1.8375 1.8803 1.9155 1.9502 2.0731 2.1510 2.3026 2.5251 2.5766 2.7335 2.7419 2.8515 2.9011 3.0544 3.1603 3.4187 3.4930 3.6597 3.6603 3.7901 3.8642 4.2758 4.3318 4.3588 4.4638 4.8664 4.8769 5.3732 5.4268 5.6225 5.6600 5.9032 5.9242 6.2422 6.2944 6.8903 6.9071 6.9519 6.9846 7.4197 7.4254 7.5576 7.5685 7.9476 7.9579 9.7551 9.7597 10.1969 10.2232 10.7036 10.7659 10.9644 10.9841 k = 0.0000 0.0000 0.3016 ( 6825 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5069 -6.8894 -6.8889 -6.0478 -6.0454 -6.0086 -6.0045 -5.9398 -5.9308 -0.5875 -0.5809 1.2841 1.2933 1.5066 1.5121 1.5532 1.6829 1.6838 1.7544 1.8187 1.8398 1.8697 1.9256 1.9292 2.0950 2.1091 2.2666 2.5188 2.5707 2.7114 2.7175 2.8293 2.8666 3.0427 3.1541 3.4219 3.4933 3.6937 3.7020 3.7877 3.8657 4.3433 4.3831 4.3870 4.4966 4.9335 4.9483 5.3066 5.3721 5.6093 5.6398 5.8951 5.9168 6.2661 6.3194 6.8733 6.9115 6.9544 6.9673 7.3868 7.3909 7.5492 7.5617 7.9689 7.9794 9.8022 9.8149 10.1975 10.2213 10.7131 10.7727 10.9841 11.0113 k = 0.0000 0.0000 0.3231 ( 6825 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5465 -14.5139 -14.5139 -14.5070 -14.5069 -6.8728 -6.8721 -6.0587 -6.0560 -6.0154 -6.0110 -5.9423 -5.9329 -0.5864 -0.5795 1.2856 1.2940 1.5169 1.5202 1.5525 1.6805 1.6869 1.7460 1.8237 1.8416 1.8599 1.9009 1.9466 2.0689 2.1175 2.2323 2.5106 2.5620 2.6894 2.6933 2.8035 2.8339 3.0358 3.1486 3.4277 3.4955 3.7234 3.7430 3.7887 3.8665 4.3980 4.4233 4.4355 4.5379 5.0013 5.0204 5.2387 5.3144 5.5946 5.6194 5.8868 5.9090 6.2907 6.3446 6.8549 6.9115 6.9561 6.9602 7.3538 7.3566 7.5407 7.5544 7.9871 7.9981 9.8450 9.8691 10.2034 10.2211 10.7207 10.7767 11.0046 11.0393 k = 0.0000 0.0000 0.3446 ( 6829 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5465 -14.5139 -14.5139 -14.5070 -14.5069 -6.8553 -6.8546 -6.0697 -6.0669 -6.0223 -6.0178 -5.9452 -5.9354 -0.5861 -0.5791 1.2861 1.2936 1.5281 1.5286 1.5515 1.6808 1.6895 1.7360 1.8280 1.8422 1.8523 1.8767 1.9660 2.0316 2.1395 2.2010 2.5000 2.5498 2.6677 2.6697 2.7760 2.8047 3.0325 3.1436 3.4354 3.4994 3.7412 3.7831 3.8009 3.8669 4.4227 4.4735 4.4955 4.5912 5.0692 5.0928 5.1701 5.2547 5.5781 5.5979 5.8784 5.9011 6.3157 6.3697 6.8370 6.9045 6.9536 6.9672 7.3215 7.3231 7.5321 7.5468 8.0019 8.0136 9.8815 9.9210 10.2166 10.2235 10.7261 10.7777 11.0254 11.0674 k = 0.0000 0.0000 0.3662 ( 6831 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5465 -14.5139 -14.5139 -14.5070 -14.5069 -6.8371 -6.8362 -6.0809 -6.0779 -6.0293 -6.0246 -5.9485 -5.9383 -0.5866 -0.5795 1.2858 1.2925 1.5355 1.5399 1.5511 1.6847 1.6908 1.7257 1.8293 1.8368 1.8513 1.8556 1.9816 2.0033 2.1505 2.1832 2.4869 2.5341 2.6463 2.6469 2.7490 2.7801 3.0317 3.1389 3.4443 3.5046 3.7441 3.8214 3.8274 3.8675 4.4439 4.5027 4.5732 4.6545 5.1014 5.1370 5.1650 5.1938 5.5596 5.5751 5.8700 5.8930 6.3409 6.3944 6.8204 6.8931 6.9572 6.9748 7.2904 7.2909 7.5236 7.5389 8.0132 8.0258 9.9102 9.9689 10.2300 10.2386 10.7287 10.7754 11.0460 11.0950 k = 0.0000 0.0000 0.3877 ( 6847 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5465 -14.5139 -14.5139 -14.5070 -14.5069 -6.8182 -6.8172 -6.0921 -6.0890 -6.0363 -6.0316 -5.9523 -5.9417 -0.5881 -0.5810 1.2848 1.2908 1.5368 1.5516 1.5547 1.6885 1.6925 1.7175 1.8181 1.8255 1.8466 1.8562 1.9620 2.0162 2.1305 2.1990 2.4714 2.5150 2.6249 2.6252 2.7242 2.7606 3.0324 3.1344 3.4535 3.5105 3.7401 3.8510 3.8601 3.8751 4.4638 4.5267 4.6534 4.7237 5.0331 5.1322 5.2042 5.2368 5.5390 5.5506 5.8617 5.8849 6.3661 6.4184 6.8056 6.8808 6.9634 6.9824 7.2605 7.2612 7.5150 7.5307 8.0208 8.0343 9.9306 10.0106 10.2425 10.2700 10.7284 10.7694 11.0662 11.1215 k = 0.0000 0.0000 0.4093 ( 6855 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5465 -14.5139 -14.5139 -14.5070 -14.5069 -6.7987 -6.7976 -6.1032 -6.1000 -6.0434 -6.0386 -5.9565 -5.9457 -0.5905 -0.5834 1.2832 1.2887 1.5325 1.5616 1.5627 1.6800 1.7043 1.7143 1.7976 1.8101 1.8470 1.8645 1.9375 2.0406 2.1043 2.2234 2.4540 2.4935 2.6042 2.6052 2.7025 2.7458 3.0340 3.1300 3.4623 3.5169 3.7342 3.8565 3.8947 3.9051 4.4827 4.5475 4.7352 4.7962 4.9657 5.0704 5.2704 5.3076 5.5164 5.5245 5.8536 5.8769 6.3909 6.4414 6.7930 6.8693 6.9705 6.9898 7.2324 7.2342 7.5067 7.5224 8.0246 8.0390 9.9438 10.0438 10.2632 10.3098 10.7246 10.7593 11.0857 11.1465 k = 0.0000 0.0000 0.4308 ( 6859 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5465 -14.5139 -14.5139 -14.5070 -14.5069 -6.7787 -6.7775 -6.1141 -6.1108 -6.0505 -6.0457 -5.9612 -5.9501 -0.5939 -0.5868 1.2813 1.2865 1.5253 1.5689 1.5726 1.6670 1.7143 1.7185 1.7781 1.7913 1.8478 1.8759 1.9175 2.0667 2.0788 2.2489 2.4361 2.4708 2.5848 2.5866 2.6843 2.7349 3.0361 3.1257 3.4693 3.5233 3.7287 3.8548 3.9297 3.9408 4.5006 4.5663 4.8176 4.8702 4.9003 5.0091 5.3352 5.3768 5.4919 5.4972 5.8459 5.8693 6.4151 6.4630 6.7827 6.8593 6.9777 6.9969 7.2069 7.2101 7.4985 7.5140 8.0243 8.0397 9.9513 10.0672 10.2924 10.3561 10.7172 10.7444 11.1044 11.1700 k = 0.0000 0.0000 0.4523 ( 6855 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.7583 -6.7569 -6.1247 -6.1214 -6.0575 -6.0527 -5.9664 -5.9552 -0.5981 -0.5911 1.2793 1.2842 1.5165 1.5755 1.5802 1.6523 1.7146 1.7269 1.7689 1.7708 1.8473 1.8871 1.9048 2.0550 2.0939 2.2738 2.4192 2.4483 2.5671 2.5696 2.6694 2.7269 3.0383 3.1213 3.4734 3.5289 3.7251 3.8516 3.9646 3.9763 4.5174 4.5833 4.8324 4.9046 4.9325 4.9605 5.3985 5.4409 5.4658 5.4723 5.8388 5.8622 6.4384 6.4828 6.7752 6.8514 6.9845 7.0034 7.1846 7.1891 7.4908 7.5057 8.0200 8.0363 9.9551 10.0821 10.3283 10.4070 10.7061 10.7245 11.1226 11.1919 k = 0.0000 0.0000 0.4739 ( 6861 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.7376 -6.7361 -6.1349 -6.1315 -6.0644 -6.0596 -5.9723 -5.9608 -0.6031 -0.5963 1.2772 1.2820 1.5062 1.5811 1.5841 1.6384 1.7131 1.7173 1.7513 1.7821 1.8452 1.8810 1.9152 2.0328 2.1215 2.2960 2.4057 2.4273 2.5516 2.5545 2.6574 2.7208 3.0404 3.1170 3.4729 3.5332 3.7248 3.8480 3.9988 4.0108 4.5329 4.5990 4.7710 4.8825 4.9874 5.0244 5.4353 5.4383 5.4599 5.5140 5.8328 5.8560 6.4604 6.5006 6.7706 6.8458 6.9907 7.0093 7.1655 7.1715 7.4835 7.4976 8.0116 8.0286 9.9564 10.0904 10.3673 10.4610 10.6918 10.6991 11.1406 11.2121 k = 0.0000 0.0000 0.4954 ( 6861 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5465 -14.5138 -14.5138 -14.5069 -14.5068 -6.7167 -6.7151 -6.1447 -6.1412 -6.0711 -6.0665 -5.9787 -5.9671 -0.6089 -0.6023 1.2752 1.2801 1.4949 1.5810 1.5858 1.6287 1.7003 1.7069 1.7365 1.8042 1.8436 1.8681 1.9370 2.0123 2.1490 2.3124 2.3989 2.4087 2.5392 2.5417 2.6481 2.7161 3.0424 3.1126 3.4668 3.5353 3.7288 3.8442 4.0324 4.0442 4.5465 4.6132 4.7117 4.8217 5.0704 5.0988 5.4058 5.4099 5.5187 5.5763 5.8281 5.8515 6.4808 6.5159 6.7692 6.8430 6.9961 7.0146 7.1498 7.1573 7.4768 7.4898 7.9991 8.0166 9.9563 10.0944 10.4049 10.5164 10.6683 10.6760 11.1591 11.2309 k = 0.0000 0.0000 0.5170 ( 6865 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5465 -14.5138 -14.5138 -14.5069 -14.5068 -6.6958 -6.6940 -6.1539 -6.1503 -6.0776 -6.0731 -5.9857 -5.9741 -0.6153 -0.6089 1.2734 1.2784 1.4827 1.5690 1.5896 1.6252 1.6829 1.6946 1.7280 1.8158 1.8544 1.8551 1.9629 1.9936 2.1759 2.3200 2.3931 2.4006 2.5312 2.5316 2.6413 2.7124 3.0442 3.1082 3.4548 3.5347 3.7374 3.8409 4.0651 4.0761 4.5565 4.6261 4.6573 4.7606 5.1517 5.1721 5.3758 5.3813 5.5746 5.6352 5.8257 5.8500 6.4992 6.5287 6.7709 6.8431 7.0005 7.0195 7.1375 7.1465 7.4708 7.4825 7.9825 8.0004 9.9553 10.0952 10.4350 10.5702 10.6345 10.6628 11.1788 11.2487 k = 0.0000 0.0000 0.5385 ( 6871 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.6749 -6.6730 -6.1623 -6.1587 -6.0840 -6.0796 -5.9933 -5.9817 -0.6222 -0.6161 1.2719 1.2772 1.4699 1.5511 1.5925 1.6255 1.6666 1.6799 1.7223 1.8098 1.8427 1.8826 1.9771 1.9918 2.2014 2.3204 2.3806 2.4070 2.5245 2.5294 2.6372 2.7094 3.0457 3.1037 3.4370 3.5305 3.7503 3.8382 4.0968 4.1064 4.5545 4.6165 4.6376 4.6997 5.2299 5.2428 5.3468 5.3533 5.6265 5.6878 5.8266 5.8538 6.5154 6.5388 6.7758 6.8465 7.0040 7.0241 7.1286 7.1388 7.4655 7.4757 7.9620 7.9799 9.9538 10.0935 10.4493 10.5799 10.6394 10.6594 11.2006 11.2660 k = 0.0000 0.0000 0.5601 ( 6869 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.6543 -6.6523 -6.1700 -6.1663 -6.0900 -6.0858 -6.0016 -5.9900 -0.6294 -0.6237 1.2709 1.2764 1.4567 1.5307 1.5943 1.6263 1.6518 1.6658 1.7163 1.7978 1.8315 1.9138 1.9653 2.0230 2.2248 2.3181 2.3712 2.4114 2.5214 2.5350 2.6367 2.7068 3.0471 3.0993 3.4143 3.5223 3.7666 3.8365 4.1272 4.1347 4.5245 4.6060 4.6391 4.6477 5.2965 5.3011 5.3281 5.3338 5.6732 5.7295 5.8328 5.8675 6.5290 6.5465 6.7837 6.8534 7.0066 7.0287 7.1227 7.1341 7.4612 7.4696 7.9376 7.9552 9.9520 10.0898 10.4414 10.5365 10.6718 10.6919 11.2254 11.2836 k = 0.0000 0.0000 0.5816 ( 6873 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.6341 -6.6320 -6.1767 -6.1730 -6.0957 -6.0918 -6.0105 -5.9990 -0.6369 -0.6316 1.2702 1.2760 1.4435 1.5095 1.5948 1.6263 1.6389 1.6531 1.7092 1.7834 1.8222 1.9290 1.9733 2.0559 2.2452 2.3160 2.3644 2.4110 2.5228 2.5455 2.6416 2.7047 3.0483 3.0950 3.3874 3.5097 3.7853 3.8357 4.1563 4.1607 4.4818 4.5790 4.6106 4.6562 5.2870 5.2915 5.3793 5.3817 5.7127 5.7568 5.8470 5.8951 6.5401 6.5520 6.7941 6.8637 7.0088 7.0334 7.1193 7.1320 7.4576 7.4643 7.9097 7.9267 9.9499 10.0841 10.4141 10.4861 10.6975 10.7458 11.2540 11.3025 k = 0.0000 0.0000 0.6031 ( 6885 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.6144 -6.6123 -6.1824 -6.1785 -6.1011 -6.0974 -6.0199 -6.0086 -0.6445 -0.6395 1.2700 1.2761 1.4304 1.4885 1.5936 1.6244 1.6280 1.6417 1.7012 1.7679 1.8151 1.9218 2.0064 2.0900 2.2621 2.3149 2.3596 2.4068 2.5292 2.5558 2.6547 2.7032 3.0492 3.0906 3.3571 3.4926 3.8056 3.8356 4.1839 4.1839 4.4400 4.5197 4.6177 4.6631 5.2627 5.2675 5.4373 5.4432 5.7444 5.7726 5.8709 5.9337 6.5486 6.5557 6.8066 6.8772 7.0108 7.0385 7.1182 7.1324 7.4549 7.4598 7.8784 7.8945 9.9476 10.0764 10.3747 10.4326 10.7302 10.7974 11.2871 11.3239 k = 0.0000 0.0000 0.6247 ( 6873 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5955 -6.5933 -6.1869 -6.1829 -6.1062 -6.1027 -6.0300 -6.0188 -0.6521 -0.6474 1.2703 1.2767 1.4178 1.4683 1.5903 1.6193 1.6199 1.6319 1.6936 1.7525 1.8102 1.9107 2.0454 2.1246 2.2755 2.3151 2.3559 2.4006 2.5406 2.5622 2.6771 2.7026 3.0501 3.0864 3.3243 3.4713 3.8266 3.8360 4.2032 4.2097 4.4030 4.4616 4.6246 4.6685 5.2402 5.2444 5.4892 5.4965 5.7709 5.7840 5.9032 5.9771 6.5548 6.5581 6.8208 6.8934 7.0133 7.0440 7.1191 7.1355 7.4529 7.4560 7.8442 7.8590 9.9450 10.0668 10.3289 10.3774 10.7650 10.8452 11.3249 11.3490 k = 0.0000 0.0000 0.6462 ( 6865 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5776 -6.5754 -6.1902 -6.1860 -6.1108 -6.1076 -6.0406 -6.0296 -0.6594 -0.6552 1.2710 1.2777 1.4060 1.4492 1.5848 1.6121 1.6128 1.6232 1.6875 1.7380 1.8071 1.8993 2.0856 2.1592 2.2860 2.3163 2.3528 2.3939 2.5557 2.5647 2.7037 2.7069 3.0507 3.0823 3.2896 3.4461 3.8363 3.8474 4.2171 4.2337 4.3732 4.4054 4.6305 4.6721 5.2202 5.2235 5.5330 5.5390 5.7961 5.7968 5.9404 6.0207 6.5591 6.5595 6.8362 6.9112 7.0168 7.0497 7.1218 7.1412 7.4516 7.4531 7.8074 7.8205 9.9420 10.0551 10.2808 10.3223 10.7996 10.8880 11.3676 11.3791 k = 0.0000 0.0000 0.6678 ( 6871 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5609 -6.5588 -6.1920 -6.1876 -6.1150 -6.1121 -6.0517 -6.0409 -0.6663 -0.6625 1.2721 1.2789 1.3951 1.4317 1.5774 1.6015 1.6076 1.6156 1.6833 1.7250 1.8057 1.8886 2.1255 2.1930 2.2941 2.3181 2.3498 2.3873 2.5648 2.5721 2.7079 2.7418 3.0513 3.0784 3.2533 3.4172 3.8362 3.8671 4.2234 4.2549 4.3524 4.3531 4.6353 4.6741 5.2027 5.2051 5.5672 5.5699 5.8117 5.8248 5.9793 6.0620 6.5602 6.5618 6.8523 6.9290 7.0220 7.0554 7.1264 7.1497 7.4508 7.4508 7.7686 7.7796 9.9385 10.0409 10.2334 10.2688 10.8328 10.9249 11.4148 11.4149 k = 0.0000 0.0000 0.6893 ( 6865 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5456 -6.5436 -6.1923 -6.1877 -6.1187 -6.1161 -6.0632 -6.0527 -0.6728 -0.6694 1.2735 1.2805 1.3855 1.4158 1.5690 1.5890 1.6031 1.6090 1.6809 1.7141 1.8055 1.8785 2.1641 2.2254 2.3007 2.3203 2.3467 2.3814 2.5636 2.5866 2.7172 2.7798 3.0518 3.0746 3.2160 3.3853 3.8358 3.8848 4.2208 4.2690 4.3081 4.3440 4.6391 4.6746 5.1881 5.1896 5.5907 5.5917 5.8316 5.8544 6.0181 6.0995 6.5604 6.5633 6.8686 6.9450 7.0300 7.0610 7.1336 7.1614 7.4491 7.4505 7.7283 7.7369 9.9343 10.0241 10.1894 10.2185 10.8641 10.9553 11.4569 11.4662 k = 0.0000 0.0000 0.7108 ( 6865 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5068 -14.5068 -6.5319 -6.5300 -6.1911 -6.1862 -6.1219 -6.1197 -6.0750 -6.0649 -0.6786 -0.6757 1.2752 1.2821 1.3773 1.4018 1.5601 1.5759 1.5991 1.6033 1.6798 1.7053 1.8064 1.8691 2.2005 2.2555 2.3064 2.3226 2.3438 2.3766 2.5619 2.5964 2.7333 2.8199 3.0522 3.0711 3.1784 3.3506 3.8355 3.8993 4.2116 4.2472 4.3025 4.3436 4.6420 4.6737 5.1760 5.1767 5.6040 5.6078 5.8548 5.8834 6.0554 6.1323 6.5604 6.5638 6.8849 6.9572 7.0408 7.0664 7.1440 7.1760 7.4479 7.4504 7.6872 7.6930 9.9292 10.0043 10.1512 10.1731 10.8931 10.9791 11.5048 11.5212 k = 0.0000 0.0000 0.7324 ( 6859 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5068 -14.5068 -6.5200 -6.5183 -6.1883 -6.1830 -6.1247 -6.1228 -6.0870 -6.0772 -0.6837 -0.6813 1.2771 1.2837 1.3706 1.3898 1.5513 1.5630 1.5954 1.5985 1.6795 1.6986 1.8081 1.8604 2.2335 2.2822 2.3122 2.3246 2.3411 2.3733 2.5603 2.6001 2.7566 2.8611 3.0527 3.0678 3.1409 3.3135 3.8357 3.9090 4.1995 4.2110 4.3159 4.3476 4.6442 4.6718 5.1663 5.1664 5.6123 5.6175 5.8792 5.9096 6.0902 6.1595 6.5603 6.5638 6.9005 6.9649 7.0533 7.0716 7.1587 7.1933 7.4471 7.4505 7.6462 7.6491 9.9231 9.9821 10.1201 10.1341 10.9196 10.9967 11.5578 11.5790 k = 0.0000 0.0000 0.7539 ( 6859 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.5100 -6.5086 -6.1839 -6.1784 -6.1269 -6.1254 -6.0989 -6.0896 -0.6880 -0.6860 1.2790 1.2850 1.3654 1.3799 1.5430 1.5513 1.5923 1.5946 1.6797 1.6936 1.8105 1.8524 2.2617 2.3017 2.3208 2.3263 2.3391 2.3718 2.5593 2.5988 2.7856 2.9020 3.0530 3.0649 3.1047 3.2744 3.8374 3.9126 4.1814 4.1871 4.3290 4.3527 4.6461 4.6690 5.1586 5.1588 5.6175 5.6228 5.9028 5.9313 6.1217 6.1805 6.5601 6.5634 6.9151 6.9687 7.0651 7.0763 7.1782 7.2124 7.4467 7.4506 7.6062 7.6064 9.9160 9.9589 10.0962 10.1030 10.9435 11.0085 11.6147 11.6389 k = 0.0000 0.0000 0.7755 ( 6860 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.5022 -6.5010 -6.1781 -6.1724 -6.1286 -6.1275 -6.1104 -6.1018 -0.6913 -0.6899 1.2808 1.2859 1.3618 1.3720 1.5358 1.5414 1.5898 1.5915 1.6803 1.6898 1.8136 1.8450 2.2840 2.3101 2.3276 2.3326 2.3408 2.3720 2.5594 2.5937 2.8181 2.9394 3.0531 3.0623 3.0730 3.2336 3.8414 3.9092 4.1613 4.1757 4.3401 4.3572 4.6480 4.6656 5.1529 5.1532 5.6208 5.6254 5.9238 5.9476 6.1490 6.1952 6.5601 6.5627 6.9283 6.9694 7.0745 7.0805 7.2017 7.2320 7.4464 7.4508 7.5662 7.5693 9.9086 9.9373 10.0787 10.0802 10.9644 11.0151 11.6742 11.7001 k = 0.0000 0.0000 0.7970 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4964 -6.4956 -6.1712 -6.1656 -6.1298 -6.1291 -6.1210 -6.1135 -0.6937 -0.6927 1.2825 1.2862 1.3597 1.3661 1.5304 1.5338 1.5881 1.5892 1.6811 1.6870 1.8173 1.8383 2.2994 2.3133 2.3287 2.3335 2.3536 2.3734 2.5612 2.5866 2.8528 2.9621 3.0523 3.0578 3.0602 3.1916 3.8485 3.8995 4.1509 4.1656 4.3490 4.3601 4.6501 4.6621 5.1490 5.1494 5.6230 5.6263 5.9410 5.9580 6.1715 6.2032 6.5602 6.5621 6.9399 6.9676 7.0810 7.0838 7.2264 7.2494 7.4465 7.4508 7.5324 7.5372 9.9023 9.9193 10.0654 10.0665 10.9823 11.0169 11.7345 11.7620 k = 0.0000 0.0000 0.8185 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4929 -6.4925 -6.1641 -6.1598 -6.1304 -6.1301 -6.1290 -6.1237 -0.6950 -0.6945 1.2841 1.2860 1.3590 1.3622 1.5272 1.5288 1.5872 1.5878 1.6820 1.6849 1.8217 1.8322 2.3085 2.3141 2.3298 2.3323 2.3650 2.3740 2.5651 2.5787 2.8881 2.9521 3.0559 3.0584 3.0717 3.1493 3.8587 3.8860 4.1482 4.1572 4.3554 4.3609 4.6525 4.6586 5.1469 5.1471 5.6245 5.6263 5.9536 5.9624 6.1885 6.2047 6.5604 6.5614 6.9498 6.9637 7.0848 7.0858 7.2478 7.2604 7.4471 7.4502 7.5095 7.5136 9.8988 9.9067 10.0577 10.0589 10.9967 11.0142 11.7915 11.8238 k = 0.0000 0.0000 0.8401 ( 6868 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4916 -6.4916 -6.1588 -6.1588 -6.1308 -6.1308 -6.1300 -6.1300 -0.6953 -0.6953 1.2852 1.2852 1.3598 1.3598 1.5266 1.5266 1.5871 1.5871 1.6833 1.6833 1.8266 1.8266 2.3128 2.3128 2.3309 2.3309 2.3717 2.3717 2.5711 2.5711 2.9226 2.9226 3.0570 3.0570 3.1079 3.1079 3.8716 3.8716 4.1510 4.1510 4.3593 4.3593 4.6554 4.6554 5.1463 5.1463 5.6256 5.6256 5.9608 5.9608 6.1997 6.1997 6.5608 6.5608 6.9577 6.9577 7.0862 7.0862 7.2604 7.2604 7.4486 7.4486 7.5029 7.5029 9.8999 9.8999 10.0558 10.0558 11.0074 11.0074 11.8306 11.8306 k = 0.0000 0.0000 0.8401 ( 6868 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4916 -6.4916 -6.1588 -6.1588 -6.1308 -6.1308 -6.1300 -6.1300 -0.6953 -0.6953 1.2852 1.2852 1.3598 1.3598 1.5266 1.5266 1.5871 1.5871 1.6833 1.6833 1.8266 1.8266 2.3128 2.3128 2.3309 2.3309 2.3717 2.3717 2.5711 2.5711 2.9226 2.9226 3.0570 3.0570 3.1079 3.1079 3.8716 3.8716 4.1510 4.1510 4.3593 4.3593 4.6554 4.6554 5.1463 5.1463 5.6256 5.6256 5.9608 5.9608 6.1997 6.1997 6.5608 6.5608 6.9577 6.9577 7.0862 7.0862 7.2604 7.2604 7.4486 7.4486 7.5029 7.5029 9.8999 9.8999 10.0558 10.0558 11.0074 11.0074 11.8306 11.8306 k =-0.0125 0.0168 0.8401 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4917 -6.4914 -6.1588 -6.1584 -6.1322 -6.1315 -6.1298 -6.1291 -0.6954 -0.6949 1.2825 1.2888 1.3596 1.3596 1.5222 1.5284 1.5868 1.5900 1.6773 1.6888 1.8254 1.8301 2.3085 2.3163 2.3256 2.3371 2.3662 2.3778 2.5653 2.5799 2.9208 2.9253 3.0401 3.0733 3.1057 3.1115 3.8687 3.8741 4.1501 4.1505 4.3554 4.3605 4.6500 4.6634 5.1446 5.1470 5.6220 5.6267 5.9562 5.9582 6.1965 6.2004 6.5636 6.5640 6.9579 6.9587 7.0842 7.0852 7.2599 7.2612 7.4454 7.4477 7.5039 7.5048 9.8959 9.9080 10.0517 10.0656 11.0044 11.0066 11.8164 11.8351 k =-0.0249 0.0337 0.8401 ( 6844 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4917 -6.4912 -6.1582 -6.1573 -6.1342 -6.1335 -6.1291 -6.1284 -0.6951 -0.6942 1.2806 1.2930 1.3588 1.3589 1.5161 1.5271 1.5895 1.5943 1.6710 1.6938 1.8263 1.8356 2.3051 2.3117 2.3287 2.3411 2.3628 2.3839 2.5620 2.5918 2.9200 2.9281 3.0233 3.0879 3.1046 3.1174 3.8654 3.8762 4.1477 4.1485 4.3486 4.3588 4.6473 4.6740 5.1419 5.1468 5.6158 5.6254 5.9447 5.9486 6.1909 6.1987 6.5717 6.5726 6.9595 6.9607 7.0791 7.0814 7.2598 7.2624 7.4387 7.4423 7.5081 7.5091 9.8958 9.9199 10.0534 10.0811 10.9976 11.0021 11.7940 11.8194 k =-0.0374 0.0505 0.8401 ( 6848 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4917 -6.4909 -6.1570 -6.1557 -6.1369 -6.1362 -6.1287 -6.1281 -0.6946 -0.6932 1.2794 1.2977 1.3576 1.3580 1.5093 1.5232 1.5945 1.5990 1.6644 1.6981 1.8294 1.8432 2.3025 2.3027 2.3364 2.3415 2.3635 2.3899 2.5605 2.6067 2.9205 2.9303 3.0076 3.0997 3.1044 3.1266 3.8617 3.8778 4.1439 4.1450 4.3391 4.3544 4.6474 4.6870 5.1382 5.1456 5.6069 5.6215 5.9271 5.9330 6.1833 6.1945 6.5839 6.5854 6.9624 6.9634 7.0713 7.0752 7.2601 7.2634 7.4287 7.4323 7.5156 7.5159 9.8989 9.9347 10.0612 10.1024 10.9869 10.9937 11.7625 11.7852 k =-0.0499 0.0673 0.8401 ( 6844 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4917 -6.4906 -6.1555 -6.1536 -6.1402 -6.1395 -6.1284 -6.1279 -0.6938 -0.6920 1.2791 1.3027 1.3562 1.3573 1.5025 1.5178 1.6007 1.6035 1.6576 1.7019 1.8348 1.8525 2.2926 2.3006 2.3392 2.3458 2.3679 2.3959 2.5603 2.6243 2.9223 2.9303 2.9948 3.1052 3.1085 3.1396 3.8574 3.8789 4.1386 4.1402 4.3269 4.3473 4.6501 4.7024 5.1335 5.1435 5.5950 5.6150 5.9049 5.9127 6.1739 6.1881 6.5985 6.6009 6.9663 6.9665 7.0616 7.0675 7.2607 7.2643 7.4160 7.4185 7.5254 7.5265 9.9047 9.9511 10.0756 10.1293 10.9722 10.9815 11.7224 11.7406 k =-0.0623 0.0842 0.8401 ( 6854 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5068 -14.5068 -6.4918 -6.4903 -6.1537 -6.1510 -6.1442 -6.1432 -6.1282 -6.1278 -0.6929 -0.6906 1.2794 1.3071 1.3546 1.3574 1.4959 1.5117 1.6071 1.6072 1.6507 1.7052 1.8424 1.8633 2.2819 2.2992 2.3368 2.3565 2.3739 2.4021 2.5609 2.6441 2.9254 2.9262 2.9869 3.1070 3.1158 3.1549 3.8527 3.8793 4.1320 4.1339 4.3124 4.3377 4.6556 4.7201 5.1279 5.1406 5.5800 5.6056 5.8794 5.8892 6.1631 6.1800 6.6136 6.6172 6.9682 6.9712 7.0510 7.0596 7.2613 7.2646 7.4009 7.4013 7.5381 7.5406 9.9123 9.9675 10.0970 10.1615 10.9534 10.9655 11.6746 11.6890 k =-0.0748 0.1010 0.8401 ( 6862 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5467 -14.5466 -14.5138 -14.5138 -14.5068 -14.5068 -6.4919 -6.4901 -6.1529 -6.1491 -6.1477 -6.1461 -6.1279 -6.1276 -0.6918 -0.6891 1.2804 1.3105 1.3531 1.3593 1.4897 1.5054 1.6100 1.6130 1.6439 1.7081 1.8521 1.8753 2.2710 2.2983 2.3359 2.3682 2.3807 2.4085 2.5620 2.6647 2.9182 2.9297 2.9845 3.1098 3.1230 3.1716 3.8474 3.8790 4.1241 4.1262 4.2957 4.3259 4.6637 4.7398 5.1213 5.1369 5.5616 5.5931 5.8517 5.8635 6.1515 6.1703 6.6277 6.6327 6.9677 6.9746 7.0417 7.0533 7.2619 7.2641 7.3814 7.3842 7.5545 7.5582 9.9210 9.9830 10.1247 10.1982 10.9305 10.9456 11.6205 11.6323 k =-0.0873 0.1178 0.8401 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5467 -14.5466 -14.5139 -14.5138 -14.5068 -14.5068 -6.4921 -6.4900 -6.1561 -6.1545 -6.1451 -6.1442 -6.1274 -6.1273 -0.6908 -0.6875 1.2821 1.3122 1.3519 1.3636 1.4841 1.4992 1.6119 1.6178 1.6375 1.7107 1.8638 1.8881 2.2603 2.2978 2.3368 2.3808 2.3882 2.4155 2.5631 2.6847 2.9091 2.9350 2.9860 3.1138 3.1306 3.1893 3.8415 3.8779 4.1149 4.1173 4.2772 4.3120 4.6743 4.7614 5.1138 5.1326 5.5397 5.5775 5.8230 5.8367 6.1395 6.1595 6.6397 6.6464 6.9631 6.9733 7.0374 7.0501 7.2623 7.2627 7.3593 7.3665 7.5747 7.5795 9.9303 9.9972 10.1575 10.2382 10.9034 10.9218 11.5620 11.5724 k =-0.0997 0.1347 0.8401 ( 6864 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5467 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4925 -6.4901 -6.1618 -6.1606 -6.1420 -6.1402 -6.1267 -6.1266 -0.6898 -0.6862 1.2842 1.3122 1.3512 1.3706 1.4788 1.4931 1.6127 1.6208 1.6322 1.7133 1.8772 1.9010 2.2502 2.2982 2.3394 2.3942 2.3962 2.4232 2.5643 2.7016 2.9029 2.9410 2.9895 3.1190 3.1386 3.2082 3.8349 3.8758 4.1045 4.1071 4.2572 4.2965 4.6873 4.7848 5.1054 5.1276 5.5140 5.5582 5.7939 5.8095 6.1275 6.1481 6.6488 6.6574 6.9536 6.9649 7.0402 7.0505 7.2600 7.2625 7.3358 7.3489 7.5991 7.6046 9.9397 10.0100 10.1933 10.2800 10.8722 10.8941 11.5006 11.5109 k =-0.1122 0.1515 0.8401 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4932 -6.4905 -6.1685 -6.1674 -6.1381 -6.1359 -6.1256 -6.1255 -0.6890 -0.6850 1.2868 1.3108 1.3512 1.3798 1.4741 1.4873 1.6124 1.6201 1.6301 1.7159 1.8917 1.9137 2.2412 2.3001 2.3433 2.4049 2.4081 2.4318 2.5655 2.7126 2.9028 2.9476 2.9942 3.1253 3.1472 3.2283 3.8275 3.8725 4.0929 4.0959 4.2360 4.2796 4.7025 4.8097 5.0961 5.1221 5.4847 5.5353 5.7652 5.7827 6.1160 6.1366 6.6546 6.6652 6.9402 6.9509 7.0483 7.0533 7.2557 7.2622 7.3115 7.3324 7.6277 7.6335 9.9484 10.0214 10.2296 10.3220 10.8370 10.8627 11.4384 11.4496 k =-0.1247 0.1683 0.8401 ( 6856 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4942 -6.4912 -6.1759 -6.1748 -6.1338 -6.1317 -6.1238 -6.1238 -0.6886 -0.6841 1.2899 1.3088 1.3520 1.3908 1.4696 1.4816 1.6112 1.6161 1.6307 1.7188 1.9069 1.9257 2.2338 2.3038 2.3482 2.4141 2.4219 2.4418 2.5669 2.7157 2.9104 2.9544 3.0003 3.1327 3.1562 3.2499 3.8192 3.8679 4.0803 4.0837 4.2143 4.2618 4.7199 4.8361 5.0858 5.1162 5.4519 5.5085 5.7373 5.7566 6.1054 6.1253 6.6573 6.6696 6.9240 6.9338 7.0565 7.0586 7.2496 7.2613 7.2872 7.3179 7.6605 7.6663 9.9561 10.0312 10.2643 10.3621 10.7981 10.8278 11.3769 11.3902 k =-0.1371 0.1852 0.8401 ( 6856 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4956 -6.4923 -6.1839 -6.1827 -6.1295 -6.1279 -6.1213 -6.1206 -0.6885 -0.6837 1.2933 1.3067 1.3536 1.4031 1.4655 1.4759 1.6090 1.6117 1.6317 1.7221 1.9222 1.9365 2.2285 2.3098 2.3534 2.4241 2.4349 2.4537 2.5688 2.7114 2.9236 2.9612 3.0095 3.1411 3.1652 3.2733 3.8100 3.8616 4.0667 4.0707 4.1922 4.2433 4.7392 4.8637 5.0746 5.1101 5.4158 5.4777 5.7107 5.7317 6.0958 6.1147 6.6569 6.6706 6.9060 6.9150 7.0587 7.0688 7.2420 7.2571 7.2664 7.3061 7.6971 7.7026 9.9621 10.0389 10.2950 10.3981 10.7558 10.7896 11.3180 11.3342 k =-0.1371 0.1852 0.8401 ( 6856 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4956 -6.4923 -6.1839 -6.1827 -6.1295 -6.1279 -6.1213 -6.1206 -0.6885 -0.6837 1.2933 1.3067 1.3536 1.4031 1.4655 1.4759 1.6090 1.6117 1.6317 1.7221 1.9222 1.9365 2.2285 2.3098 2.3534 2.4241 2.4349 2.4537 2.5688 2.7114 2.9236 2.9612 3.0095 3.1411 3.1652 3.2733 3.8100 3.8616 4.0667 4.0707 4.1922 4.2433 4.7392 4.8637 5.0746 5.1101 5.4158 5.4777 5.7107 5.7317 6.0958 6.1147 6.6569 6.6706 6.9060 6.9150 7.0587 7.0688 7.2420 7.2571 7.2664 7.3061 7.6971 7.7026 9.9621 10.0389 10.2950 10.3981 10.7558 10.7896 11.3180 11.3342 k =-0.1462 0.1974 0.8248 ( 6858 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4971 -6.4936 -6.1900 -6.1886 -6.1346 -6.1274 -6.1169 -6.1088 -0.6885 -0.6834 1.2959 1.3054 1.3556 1.4119 1.4629 1.4732 1.6063 1.6092 1.6330 1.7248 1.9325 1.9442 2.2261 2.3150 2.3574 2.4291 2.4444 2.4630 2.5706 2.7048 2.9282 2.9669 3.0248 3.1338 3.1856 3.2921 3.8022 3.8567 4.0536 4.0648 4.1762 4.2301 4.7538 4.8837 5.0665 5.1061 5.3880 5.4530 5.6915 5.7139 6.0868 6.1066 6.6544 6.6699 6.8914 6.9001 7.0585 7.0755 7.2330 7.2444 7.2631 7.2988 7.7278 7.7332 9.9664 10.0440 10.3131 10.4209 10.7195 10.7626 11.2795 11.2981 k =-0.1553 0.2097 0.8096 ( 6847 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4993 -6.4956 -6.1960 -6.1945 -6.1404 -6.1336 -6.1047 -6.0961 -0.6882 -0.6829 1.2986 1.3047 1.3585 1.4192 1.4607 1.4739 1.6030 1.6076 1.6356 1.7276 1.9407 1.9528 2.2249 2.3201 2.3614 2.4296 2.4541 2.4717 2.5729 2.6962 2.9193 2.9822 3.0461 3.1210 3.2124 3.3129 3.7937 3.8514 4.0391 4.0616 4.1608 4.2183 4.7680 4.9021 5.0600 5.1034 5.3594 5.4266 5.6720 5.6958 6.0735 6.0972 6.6500 6.6686 6.8747 6.8838 7.0563 7.0811 7.2191 7.2324 7.2637 7.2922 7.7631 7.7685 9.9718 10.0494 10.3254 10.4404 10.6760 10.7399 11.2483 11.2693 k =-0.1644 0.2219 0.7944 ( 6845 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5138 -14.5069 -14.5068 -6.5021 -6.4982 -6.2020 -6.2002 -6.1460 -6.1395 -6.0922 -6.0832 -0.6877 -0.6822 1.3009 1.3048 1.3620 1.4241 1.4594 1.4779 1.5998 1.6063 1.6392 1.7305 1.9466 1.9622 2.2249 2.3247 2.3649 2.4271 2.4619 2.4805 2.5762 2.6872 2.9052 3.0006 3.0688 3.1116 3.2387 3.3351 3.7851 3.8447 4.0234 4.0583 4.1479 4.2092 4.7813 4.9175 5.0559 5.1023 5.3305 5.3986 5.6525 5.6777 6.0568 6.0859 6.6440 6.6666 6.8563 6.8660 7.0519 7.0848 7.2043 7.2237 7.2646 7.2863 7.8015 7.8072 9.9774 10.0533 10.3302 10.4556 10.6287 10.7225 11.2255 11.2488 k =-0.1734 0.2342 0.7791 ( 6841 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.5053 -6.5013 -6.2078 -6.2059 -6.1514 -6.1453 -6.0795 -6.0702 -0.6869 -0.6812 1.3023 1.3065 1.3662 1.4265 1.4590 1.4848 1.5969 1.6055 1.6437 1.7336 1.9511 1.9716 2.2261 2.3285 2.3671 2.4229 2.4665 2.4894 2.5814 2.6794 2.8904 3.0140 3.0917 3.1103 3.2636 3.3584 3.7768 3.8359 4.0060 4.0523 4.1399 4.2044 4.7934 4.9283 5.0552 5.1028 5.3017 5.3691 5.6332 5.6598 6.0373 6.0727 6.6369 6.6637 6.8366 6.8471 7.0451 7.0855 7.1922 7.2180 7.2656 7.2810 7.8421 7.8479 9.9819 10.0542 10.3261 10.4637 10.5830 10.7114 11.2118 11.2375 k =-0.1825 0.2464 0.7639 ( 6832 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.5087 -6.5046 -6.2134 -6.2113 -6.1566 -6.1508 -6.0670 -6.0573 -0.6859 -0.6802 1.3029 1.3095 1.3708 1.4272 1.4594 1.4940 1.5945 1.6056 1.6492 1.7370 1.9545 1.9805 2.2284 2.3312 2.3668 2.4181 2.4674 2.4970 2.5898 2.6745 2.8763 3.0173 3.1134 3.1216 3.2865 3.3826 3.7690 3.8251 3.9865 4.0407 4.1388 4.2054 4.8041 4.9334 5.0584 5.1051 5.2738 5.3383 5.6144 5.6422 6.0156 6.0576 6.6291 6.6600 6.8162 6.8274 7.0361 7.0820 7.1847 7.2154 7.2666 7.2766 7.8838 7.8897 9.9842 10.0500 10.3138 10.4568 10.5500 10.7070 11.2075 11.2356 k =-0.1916 0.2587 0.7486 ( 6831 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.5124 -6.5082 -6.2189 -6.2166 -6.1615 -6.1560 -6.0546 -6.0447 -0.6848 -0.6790 1.3035 1.3131 1.3757 1.4268 1.4600 1.5043 1.5923 1.6066 1.6553 1.7404 1.9571 1.9887 2.2315 2.3322 2.3631 2.4142 2.4654 2.5012 2.6024 2.6741 2.8635 3.0118 3.1308 3.1460 3.3068 3.4077 3.7612 3.8130 3.9648 4.0234 4.1439 4.2132 4.8133 4.9326 5.0646 5.1091 5.2477 5.3063 5.5962 5.6252 5.9923 6.0411 6.6206 6.6555 6.7956 6.8074 7.0251 7.0739 7.1824 7.2158 7.2673 7.2731 7.9257 7.9317 9.9828 10.0385 10.2959 10.4280 10.5400 10.7079 11.2126 11.2429 k =-0.2006 0.2709 0.7334 ( 6828 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5137 -14.5069 -14.5069 -6.5161 -6.5118 -6.2241 -6.2216 -6.1661 -6.1610 -6.0426 -6.0323 -0.6836 -0.6777 1.3044 1.3169 1.3806 1.4261 1.4606 1.5151 1.5904 1.6091 1.6622 1.7440 1.9592 1.9963 2.2351 2.3301 2.3564 2.4115 2.4609 2.5012 2.6192 2.6793 2.8526 3.0017 3.1475 3.1747 3.3241 3.4335 3.7532 3.8004 3.9414 4.0020 4.1529 4.2279 4.8211 4.9266 5.0716 5.1145 5.2247 5.2734 5.5788 5.6089 5.9678 6.0236 6.6118 6.6500 6.7753 6.7876 7.0129 7.0620 7.1844 7.2188 7.2668 7.2718 7.9673 7.9732 9.9758 10.0189 10.2751 10.3899 10.5440 10.7122 11.2269 11.2592 k =-0.2097 0.2831 0.7181 ( 6826 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5137 -14.5069 -14.5069 -6.5198 -6.5155 -6.2290 -6.2263 -6.1705 -6.1657 -6.0310 -6.0205 -0.6822 -0.6764 1.3054 1.3209 1.3855 1.4254 1.4609 1.5258 1.5888 1.6133 1.6695 1.7478 1.9609 2.0035 2.2389 2.3230 2.3489 2.4098 2.4549 2.4975 2.6391 2.6904 2.8443 2.9898 3.1632 3.2046 3.3379 3.4597 3.7442 3.7884 3.9169 3.9780 4.1645 4.2486 4.8274 4.9165 5.0763 5.1210 5.2067 5.2400 5.5622 5.5934 5.9428 6.0054 6.6026 6.6436 6.7560 6.7682 7.0001 7.0480 7.1891 7.2238 7.2648 7.2728 8.0079 8.0136 9.9611 9.9917 10.2534 10.3554 10.5524 10.7182 11.2500 11.2837 k =-0.2188 0.2954 0.7029 ( 6835 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5465 -14.5139 -14.5137 -14.5069 -14.5069 -6.5235 -6.5191 -6.2336 -6.2308 -6.1745 -6.1700 -6.0200 -6.0092 -0.6808 -0.6751 1.3066 1.3251 1.3902 1.4248 1.4607 1.5360 1.5875 1.6192 1.6773 1.7518 1.9625 2.0104 2.2426 2.3100 2.3416 2.4087 2.4484 2.4912 2.6604 2.7067 2.8396 2.9773 3.1772 3.2340 3.3480 3.4859 3.7336 3.7781 3.8920 3.9528 4.1784 4.2739 4.8326 4.9030 5.0766 5.1276 5.1949 5.2072 5.5465 5.5787 5.9180 5.9872 6.5932 6.6361 6.7381 6.7498 6.9872 7.0331 7.1952 7.2302 7.2629 7.2746 8.0470 8.0524 9.9361 9.9600 10.2321 10.3293 10.5622 10.7246 11.2810 11.3157 k =-0.2279 0.3076 0.6877 ( 6841 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5069 -14.5069 -6.5270 -6.5227 -6.2379 -6.2350 -6.1783 -6.1741 -6.0097 -5.9987 -0.6794 -0.6738 1.3079 1.3294 1.3944 1.4245 1.4601 1.5451 1.5866 1.6269 1.6853 1.7558 1.9639 2.0174 2.2457 2.2932 2.3332 2.4079 2.4422 2.4835 2.6810 2.7270 2.8400 2.9654 3.1891 3.2617 3.3544 3.5117 3.7211 3.7696 3.8679 3.9271 4.1942 4.3025 4.8364 4.8868 5.0720 5.1310 5.1763 5.1910 5.5317 5.5649 5.8940 5.9695 6.5837 6.6274 6.7222 6.7326 6.9747 7.0180 7.2018 7.2371 7.2618 7.2770 8.0841 8.0892 9.9012 9.9260 10.2131 10.3114 10.5722 10.7310 11.3189 11.3541 k =-0.2369 0.3199 0.6724 ( 6829 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5069 -14.5069 -6.5304 -6.5260 -6.2419 -6.2388 -6.1817 -6.1778 -6.0000 -5.9889 -0.6780 -0.6725 1.3094 1.3339 1.3981 1.4245 1.4589 1.5530 1.5864 1.6361 1.6933 1.7601 1.9656 2.0247 2.2475 2.2746 2.3227 2.4077 2.4369 2.4753 2.6988 2.7492 2.8474 2.9550 3.1987 3.2862 3.3578 3.5365 3.7073 3.7624 3.8459 3.9020 4.2120 4.3335 4.8376 4.8695 5.0644 5.1198 5.1612 5.1905 5.5179 5.5519 5.8714 5.9527 6.5743 6.6177 6.7085 6.7170 6.9631 7.0033 7.2083 7.2434 7.2622 7.2799 8.1188 8.1235 9.8610 9.8891 10.1976 10.2993 10.5821 10.7368 11.3624 11.3975 k =-0.2460 0.3321 0.6572 ( 6831 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5069 -14.5069 -6.5335 -6.5291 -6.2455 -6.2423 -6.1848 -6.1812 -5.9913 -5.9799 -0.6766 -0.6713 1.3109 1.3383 1.4012 1.4248 1.4573 1.5591 1.5872 1.6465 1.7013 1.7643 1.9674 2.0324 2.2441 2.2585 2.3106 2.4079 2.4325 2.4672 2.7122 2.7710 2.8630 2.9478 3.2056 3.3047 3.3601 3.5596 3.6928 3.7550 3.8274 3.8783 4.2315 4.3658 4.8304 4.8571 5.0562 5.0923 5.1622 5.1922 5.5051 5.5396 5.8510 5.9372 6.5649 6.6071 6.6969 6.7030 6.9525 6.9894 7.2140 7.2477 7.2652 7.2833 8.1508 8.1551 9.8198 9.8499 10.1860 10.2908 10.5916 10.7422 11.4099 11.4446 k =-0.2551 0.3444 0.6419 ( 6836 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5069 -14.5069 -6.5363 -6.5319 -6.2487 -6.2454 -6.1875 -6.1842 -5.9834 -5.9718 -0.6753 -0.6702 1.3125 1.3427 1.4035 1.4254 1.4554 1.5632 1.5893 1.6574 1.7091 1.7684 1.9695 2.0408 2.2284 2.2514 2.2986 2.4084 2.4293 2.4596 2.7212 2.7897 2.8860 2.9461 3.2094 3.3128 3.3651 3.5804 3.6783 3.7460 3.8138 3.8571 4.2523 4.3987 4.8111 4.8535 5.0486 5.0624 5.1668 5.1940 5.4934 5.5280 5.8332 5.9235 6.5559 6.5962 6.6874 6.6908 6.9432 6.9765 7.2188 7.2495 7.2706 7.2872 8.1797 8.1836 9.7801 9.8102 10.1774 10.2844 10.6007 10.7470 11.4594 11.4935 k =-0.2641 0.3566 0.6267 ( 6837 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5069 -14.5069 -6.5388 -6.5345 -6.2516 -6.2481 -6.1899 -6.1868 -5.9764 -5.9647 -0.6740 -0.6692 1.3140 1.3469 1.4051 1.4262 1.4534 1.5655 1.5924 1.6683 1.7169 1.7722 1.9721 2.0501 2.2088 2.2434 2.2897 2.4089 2.4270 2.4527 2.7270 2.8020 2.9144 2.9532 3.2096 3.3086 3.3746 3.5983 3.6643 3.7354 3.8050 3.8395 4.2740 4.4315 4.7872 4.8512 5.0324 5.0449 5.1712 5.1946 5.4828 5.5170 5.8185 5.9118 6.5475 6.5854 6.6796 6.6804 6.9353 6.9647 7.2224 7.2502 7.2769 7.2915 8.2053 8.2088 9.7436 9.7720 10.1712 10.2793 10.6092 10.7513 11.5086 11.5418 k =-0.2732 0.3689 0.6115 ( 6827 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5069 -14.5069 -6.5410 -6.5367 -6.2540 -6.2505 -6.1920 -6.1891 -5.9704 -5.9586 -0.6729 -0.6684 1.3154 1.3508 1.4063 1.4270 1.4514 1.5665 1.5961 1.6783 1.7248 1.7754 1.9750 2.0602 2.1896 2.2304 2.2854 2.4092 2.4257 2.4467 2.7315 2.8062 2.9458 2.9704 3.2059 3.2956 3.3852 3.6122 3.6518 3.7247 3.7989 3.8269 4.2962 4.4633 4.7630 4.8458 5.0092 5.0407 5.1748 5.1939 5.4736 5.5067 5.8069 5.9022 6.5400 6.5753 6.6716 6.6735 6.9289 6.9544 7.2251 7.2506 7.2831 7.2961 8.2274 8.2304 9.7115 9.7370 10.1666 10.2752 10.6169 10.7551 11.5542 11.5866 k =-0.2823 0.3811 0.5962 ( 6834 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5428 -6.5385 -6.2560 -6.2524 -6.1936 -6.1909 -5.9655 -5.9536 -0.6720 -0.6677 1.3167 1.3543 1.4070 1.4276 1.4496 1.5668 1.5997 1.6868 1.7328 1.7777 1.9782 2.0713 2.1720 2.2137 2.2840 2.4091 2.4252 2.4415 2.7356 2.8037 2.9783 2.9957 3.1978 3.2773 3.3942 3.6200 3.6429 3.7154 3.7934 3.8200 4.3179 4.4927 4.7408 4.8352 4.9920 5.0383 5.1774 5.1919 5.4658 5.4975 5.7982 5.8946 6.5334 6.5663 6.6645 6.6686 6.9240 6.9454 7.2268 7.2508 7.2885 7.3004 8.2457 8.2483 9.6845 9.7064 10.1633 10.2720 10.6235 10.7584 11.5931 11.6246 k =-0.2914 0.3934 0.5810 ( 6837 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5442 -6.5399 -6.2575 -6.2539 -6.1949 -6.1924 -5.9616 -5.9496 -0.6712 -0.6671 1.3178 1.3572 1.4075 1.4279 1.4481 1.5668 1.6028 1.6933 1.7407 1.7789 1.9814 2.0832 2.1570 2.1958 2.2839 2.4087 2.4255 2.4372 2.7401 2.7973 3.0107 3.0253 3.1850 3.2559 3.4010 3.6185 3.6416 3.7085 3.7888 3.8172 4.3380 4.5179 4.7233 4.8191 4.9815 5.0372 5.1792 5.1890 5.4597 5.4895 5.7921 5.8889 6.5282 6.5588 6.6592 6.6649 6.9206 6.9380 7.2278 7.2510 7.2929 7.3042 8.2602 8.2623 9.6634 9.6812 10.1609 10.2694 10.6290 10.7611 11.6225 11.6527 k =-0.3004 0.4056 0.5657 ( 6826 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5453 -6.5410 -6.2586 -6.2550 -6.1958 -6.1934 -5.9588 -5.9468 -0.6706 -0.6667 1.3186 1.3595 1.4079 1.4279 1.4472 1.5666 1.6052 1.6979 1.7479 1.7790 1.9843 2.0953 2.1459 2.1781 2.2843 2.4083 2.4262 2.4338 2.7451 2.7895 3.0412 3.0560 3.1675 3.2338 3.4054 3.6129 3.6438 3.7040 3.7858 3.8163 4.3549 4.5366 4.7132 4.8002 4.9765 5.0368 5.1803 5.1861 5.4553 5.4835 5.7882 5.8851 6.5243 6.5532 6.6554 6.6623 6.9186 6.9322 7.2284 7.2512 7.2961 7.3073 8.2706 8.2724 9.6486 9.6622 10.1593 10.2675 10.6330 10.7631 11.6418 11.6705 k =-0.3095 0.4179 0.5505 ( 6818 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5459 -6.5416 -6.2593 -6.2557 -6.1964 -6.1941 -5.9571 -5.9450 -0.6703 -0.6665 1.3191 1.3609 1.4081 1.4278 1.4467 1.5665 1.6067 1.7005 1.7532 1.7783 1.9864 2.1056 2.1404 2.1625 2.2846 2.4080 2.4273 2.4313 2.7499 2.7826 3.0652 3.0855 3.1460 3.2154 3.4079 3.6085 3.6454 3.7015 3.7843 3.8162 4.3664 4.5474 4.7110 4.7831 4.9746 5.0367 5.1812 5.1836 5.4527 5.4796 5.7860 5.8829 6.5220 6.5498 6.6531 6.6607 6.9177 6.9284 7.2288 7.2514 7.2981 7.3092 8.2769 8.2785 9.6400 9.6502 10.1584 10.2664 10.6355 10.7643 11.6523 11.6797 k =-0.3186 0.4301 0.5352 ( 6826 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5461 -6.5418 -6.2595 -6.2559 -6.1966 -6.1943 -5.9565 -5.9445 -0.6702 -0.6664 1.3193 1.3614 1.4082 1.4277 1.4465 1.5665 1.6071 1.7013 1.7553 1.7779 1.9872 2.1099 2.1405 2.1544 2.2847 2.4079 2.4281 2.4300 2.7522 2.7794 3.0748 3.1058 3.1285 3.2076 3.4087 3.6069 3.6459 3.7008 3.7839 3.8161 4.3706 4.5507 4.7119 4.7756 4.9742 5.0367 5.1820 5.1821 5.4518 5.4782 5.7853 5.8821 6.5212 6.5486 6.6523 6.6602 6.9175 6.9270 7.2289 7.2515 7.2987 7.3098 8.2790 8.2806 9.6373 9.6460 10.1581 10.2660 10.6364 10.7647 11.6557 11.6825 k =-0.3186 0.4301 0.5352 ( 6826 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5461 -6.5418 -6.2595 -6.2559 -6.1966 -6.1943 -5.9565 -5.9445 -0.6702 -0.6664 1.3193 1.3614 1.4082 1.4277 1.4465 1.5665 1.6071 1.7013 1.7553 1.7779 1.9872 2.1099 2.1405 2.1544 2.2847 2.4079 2.4281 2.4300 2.7522 2.7794 3.0748 3.1058 3.1285 3.2076 3.4087 3.6069 3.6459 3.7008 3.7839 3.8161 4.3706 4.5507 4.7119 4.7756 4.9742 5.0367 5.1820 5.1821 5.4518 5.4782 5.7853 5.8821 6.5212 6.5486 6.6523 6.6602 6.9175 6.9270 7.2289 7.2515 7.2987 7.3098 8.2790 8.2806 9.6373 9.6460 10.1581 10.2660 10.6364 10.7647 11.6557 11.6825 k =-0.3095 0.4178 0.5200 ( 6814 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5480 -6.5439 -6.2479 -6.2441 -6.2067 -6.2040 -5.9556 -5.9432 -0.6564 -0.6530 1.3198 1.3581 1.4085 1.4325 1.4544 1.5764 1.6034 1.7167 1.7708 1.7714 1.9882 2.0918 2.1199 2.1235 2.2759 2.3833 2.4037 2.4185 2.7323 2.7525 3.0675 3.1158 3.1273 3.2093 3.3885 3.6168 3.6267 3.7172 3.7912 3.8249 4.3995 4.5640 4.7614 4.8268 4.9516 4.9973 5.1955 5.1959 5.4366 5.4593 5.7593 5.8586 6.5418 6.5648 6.6578 6.6696 6.9168 6.9285 7.2312 7.2504 7.3016 7.3115 8.2659 8.2674 9.6536 9.6617 10.2001 10.3029 10.7237 10.8532 11.6875 11.7099 k =-0.3004 0.4055 0.5047 ( 6814 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5523 -6.5486 -6.2362 -6.2322 -6.2143 -6.2110 -5.9545 -5.9419 -0.6431 -0.6401 1.3208 1.3556 1.4072 1.4369 1.4645 1.5868 1.5977 1.7260 1.7728 1.7919 1.9877 2.0544 2.0934 2.1188 2.2619 2.3552 2.3840 2.4141 2.7110 2.7257 3.0576 3.1253 3.1277 3.2113 3.3687 3.6066 3.6277 3.7327 3.7987 3.8338 4.4271 4.5691 4.8098 4.8748 4.9368 4.9615 5.2096 5.2104 5.4227 5.4417 5.7324 5.8339 6.5618 6.5786 6.6625 6.6791 6.9179 6.9317 7.2305 7.2458 7.3030 7.3121 8.2556 8.2567 9.6706 9.6782 10.2389 10.3364 10.8020 10.9335 11.7121 11.7301 k =-0.2913 0.3933 0.4894 ( 6814 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5593 -6.5559 -6.2246 -6.2216 -6.2176 -6.2148 -5.9535 -5.9406 -0.6304 -0.6278 1.3222 1.3540 1.4054 1.4414 1.4754 1.5909 1.5973 1.7237 1.7888 1.8158 1.9852 2.0172 2.0647 2.1185 2.2416 2.3287 2.3722 2.4104 2.6886 2.6991 3.0462 3.1226 3.1400 3.2139 3.3496 3.5863 3.6389 3.7465 3.8064 3.8428 4.4518 4.5637 4.8546 4.8968 4.9356 4.9548 5.2240 5.2250 5.4095 5.4251 5.7048 5.8081 6.5809 6.5899 6.6664 6.6884 6.9208 6.9368 7.2268 7.2374 7.3031 7.3118 8.2483 8.2488 9.6882 9.6954 10.2745 10.3668 10.8681 11.0021 11.7288 11.7427 k =-0.2822 0.3810 0.4741 ( 6820 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5689 -6.5660 -6.2217 -6.2183 -6.2105 -6.2072 -5.9524 -5.9394 -0.6182 -0.6162 1.3241 1.3533 1.4035 1.4461 1.4868 1.5837 1.6077 1.7152 1.8132 1.8415 1.9806 1.9822 2.0385 2.1174 2.2161 2.3050 2.3670 2.4066 2.6656 2.6727 3.0342 3.1193 3.1523 3.2169 3.3316 3.5663 3.6501 3.7585 3.8137 3.8518 4.4711 4.5470 4.8767 4.8897 4.9547 4.9960 5.2380 5.2395 5.3961 5.4087 5.6770 5.7814 6.5986 6.5992 6.6692 6.6974 6.9255 6.9438 7.2201 7.2254 7.3021 7.3109 8.2437 8.2440 9.7064 9.7132 10.3068 10.3941 10.9185 11.0551 11.7372 11.7473 k =-0.2731 0.3687 0.4588 ( 6828 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5812 -6.5786 -6.2209 -6.2164 -6.1988 -6.1949 -5.9514 -5.9381 -0.6069 -0.6054 1.3266 1.3535 1.4019 1.4511 1.4983 1.5765 1.6181 1.7048 1.8407 1.8667 1.9505 1.9741 2.0160 2.1154 2.1877 2.2847 2.3666 2.4026 2.6421 2.6468 3.0216 3.1158 3.1643 3.2205 3.3147 3.5466 3.6609 3.7687 3.8206 3.8608 4.4814 4.5204 4.8578 4.9157 4.9929 5.0459 5.2507 5.2531 5.3821 5.3922 5.6494 5.7539 6.6045 6.6165 6.6708 6.7060 6.9321 6.9525 7.2099 7.2107 7.3004 7.3097 8.2414 8.2427 9.7251 9.7317 10.3359 10.4187 10.9507 11.0895 11.7369 11.7436 k =-0.2640 0.3564 0.4435 ( 6830 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5957 -6.5935 -6.2177 -6.2126 -6.1865 -6.1824 -5.9503 -5.9370 -0.5964 -0.5956 1.3295 1.3546 1.4005 1.4567 1.5099 1.5697 1.6283 1.6940 1.8665 1.8867 1.9254 1.9671 2.0006 2.1126 2.1581 2.2679 2.3692 2.3983 2.6185 2.6215 3.0088 3.1122 3.1759 3.2246 3.2993 3.5273 3.6709 3.7771 3.8268 3.8698 4.4796 4.4862 4.8512 4.9412 5.0391 5.0966 5.2609 5.2653 5.3672 5.3752 5.6228 5.7263 6.6072 6.6322 6.6717 6.7142 6.9406 6.9632 7.1913 7.1990 7.2983 7.3085 8.2416 8.2439 9.7444 9.7507 10.3619 10.4410 10.9631 11.1037 11.7278 11.7318 k =-0.2549 0.3441 0.4282 ( 6832 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.6122 -6.6102 -6.2122 -6.2067 -6.1741 -6.1700 -5.9492 -5.9358 -0.5869 -0.5867 1.3328 1.3564 1.3994 1.4626 1.5216 1.5636 1.6380 1.6836 1.8726 1.8936 1.9241 1.9583 2.0012 2.1091 2.1289 2.2547 2.3739 2.3938 2.5951 2.5970 2.9960 3.1087 3.1871 3.2292 3.2854 3.5085 3.6798 3.7836 3.8322 3.8787 4.4473 4.4649 4.8591 4.9695 5.0874 5.1467 5.2671 5.2750 5.3511 5.3575 5.5984 5.6989 6.6064 6.6441 6.6736 6.7221 6.9509 6.9759 7.1702 7.1859 7.2963 7.3077 8.2437 8.2471 9.7641 9.7701 10.3848 10.4613 10.9562 11.0983 11.7103 11.7121 k =-0.2458 0.3318 0.4129 ( 6836 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.6302 -6.6285 -6.2049 -6.1991 -6.1617 -6.1575 -5.9481 -5.9347 -0.5788 -0.5784 1.3363 1.3588 1.3987 1.4690 1.5333 1.5584 1.6462 1.6750 1.8554 1.8868 1.9444 1.9487 2.0219 2.0977 2.1090 2.2448 2.3799 2.3890 2.5724 2.5736 2.9832 3.1057 3.1979 3.2341 3.2732 3.4903 3.6872 3.7879 3.8368 3.8874 4.4055 4.4392 4.8799 5.0004 5.1354 5.1956 5.2674 5.2814 5.3339 5.3392 5.5779 5.6727 6.6015 6.6475 6.6807 6.7299 6.9630 6.9903 7.1476 7.1719 7.2950 7.3079 8.2471 8.2516 9.7842 9.7901 10.4045 10.4800 10.9314 11.0759 11.6850 11.6850 k =-0.2367 0.3195 0.3976 ( 6848 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.6494 -6.6480 -6.1960 -6.1899 -6.1494 -6.1451 -5.9470 -5.9336 -0.5721 -0.5710 1.3399 1.3613 1.3983 1.4757 1.5447 1.5544 1.6488 1.6723 1.8356 1.8737 1.9279 1.9757 2.0532 2.0724 2.1076 2.2378 2.3843 2.3868 2.5506 2.5515 2.9705 3.1033 3.2081 3.2394 3.2630 3.4727 3.6928 3.7897 3.8410 3.8960 4.3625 4.4062 4.9104 5.0329 5.1812 5.2419 5.2597 5.2834 5.3159 5.3210 5.5630 5.6489 6.5924 6.6422 6.6932 6.7378 6.9767 7.0067 7.1245 7.1581 7.2945 7.3093 8.2511 8.2566 9.8047 9.8104 10.4207 10.4975 10.8911 11.0397 11.6515 11.6526 k =-0.2276 0.3072 0.3823 ( 6850 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.6696 -6.6683 -6.1859 -6.1796 -6.1371 -6.1328 -5.9459 -5.9326 -0.5666 -0.5648 1.3435 1.3636 1.3988 1.4826 1.5499 1.5578 1.6438 1.6781 1.8177 1.8592 1.9107 1.9946 2.0508 2.0884 2.1135 2.2337 2.3797 2.3942 2.5304 2.5310 2.9581 3.1016 3.2175 3.2450 3.2550 3.4557 3.6964 3.7886 3.8448 3.9043 4.3194 4.3690 4.9474 5.0653 5.2200 5.2430 5.2748 5.2816 5.3061 5.3075 5.5553 5.6288 6.5788 6.6312 6.7075 6.7459 6.9922 7.0248 7.1020 7.1452 7.2953 7.3123 8.2549 8.2613 9.8256 9.8313 10.4329 10.5138 10.8381 10.9937 11.6123 11.6143 k =-0.2184 0.2949 0.3670 ( 6854 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.6903 -6.6892 -6.1748 -6.1684 -6.1250 -6.1207 -5.9448 -5.9316 -0.5622 -0.5598 1.3467 1.3649 1.4006 1.4893 1.5479 1.5693 1.6367 1.6873 1.8024 1.8452 1.8935 1.9952 2.0381 2.1233 2.1307 2.2333 2.3754 2.4014 2.5124 2.5126 2.9458 3.1008 3.2254 3.2500 3.2509 3.4394 3.6976 3.7843 3.8483 3.9124 4.2773 4.3300 4.9886 5.0945 5.2176 5.2362 5.2616 5.2752 5.3117 5.3402 5.5550 5.6135 6.5609 6.6159 6.7223 6.7544 7.0090 7.0446 7.0809 7.1338 7.2978 7.3171 8.2578 8.2650 9.8469 9.8525 10.4397 10.5289 10.7754 10.9420 11.5685 11.5711 k =-0.2093 0.2827 0.3517 ( 6846 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.7113 -6.7104 -6.1630 -6.1564 -6.1130 -6.1087 -5.9437 -5.9307 -0.5590 -0.5560 1.3494 1.3647 1.4040 1.4954 1.5462 1.5813 1.6301 1.6973 1.7901 1.8327 1.8772 1.9812 2.0310 2.1527 2.1590 2.2401 2.3716 2.4077 2.4968 2.4979 2.9338 3.1008 3.2301 3.2500 3.2570 3.4238 3.6962 3.7768 3.8517 3.9201 4.2368 4.2908 5.0317 5.1132 5.1845 5.2289 5.2363 5.2635 5.3451 5.3802 5.5614 5.6038 6.5391 6.5965 6.7372 6.7632 7.0270 7.0589 7.0692 7.1246 7.3023 7.3242 8.2590 8.2668 9.8687 9.8742 10.4392 10.5420 10.7062 10.8890 11.5211 11.5240 k =-0.2002 0.2704 0.3364 ( 6846 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.7324 -6.7316 -6.1506 -6.1440 -6.1013 -6.0970 -5.9427 -5.9299 -0.5569 -0.5534 1.3514 1.3628 1.4091 1.5005 1.5450 1.5934 1.6253 1.7075 1.7804 1.8221 1.8626 1.9641 2.0226 2.1688 2.1935 2.2607 2.3684 2.4120 2.4839 2.4885 2.9219 3.1016 3.2313 3.2553 3.2633 3.4089 3.6917 3.7659 3.8547 3.9274 4.1986 4.2526 5.0732 5.1107 5.1449 5.2103 5.2108 5.2647 5.3857 5.4181 5.5735 5.5993 6.5139 6.5736 6.7520 6.7724 7.0437 7.0454 7.0909 7.1184 7.3089 7.3335 8.2578 8.2661 9.8908 9.8964 10.4287 10.5481 10.6376 10.8396 11.4710 11.4741 k =-0.1911 0.2581 0.3211 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5070 -14.5069 -6.7535 -6.7528 -6.1379 -6.1313 -6.0898 -6.0855 -5.9416 -5.9291 -0.5559 -0.5519 1.3523 1.3593 1.4155 1.5041 1.5438 1.6055 1.6228 1.7176 1.7732 1.8136 1.8501 1.9485 2.0121 2.1712 2.2302 2.2943 2.3659 2.4136 2.4746 2.4855 2.9102 3.1032 3.2317 3.2631 3.2697 3.3949 3.6842 3.7518 3.8573 3.9342 4.1632 4.2161 5.0857 5.0943 5.1078 5.1818 5.1950 5.2870 5.4268 5.4522 5.5905 5.5994 6.4861 6.5477 6.7667 6.7820 7.0295 7.0618 7.1157 7.1175 7.3179 7.3452 8.2536 8.2622 9.9131 9.9189 10.4051 10.5178 10.6009 10.7986 11.4190 11.4223 k =-0.1820 0.2458 0.3059 ( 6848 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5070 -14.5069 -6.7743 -6.7737 -6.1250 -6.1184 -6.0785 -6.0744 -5.9406 -5.9283 -0.5560 -0.5516 1.3521 1.3546 1.4227 1.5061 1.5426 1.6177 1.6230 1.7274 1.7682 1.8073 1.8401 1.9358 2.0002 2.1658 2.2660 2.3343 2.3642 2.4144 2.4693 2.4889 2.8988 3.1054 3.2331 3.2717 3.2763 3.3819 3.6735 3.7348 3.8592 3.9406 4.1308 4.1818 5.0462 5.0480 5.0983 5.1461 5.2132 5.3208 5.4667 5.4820 5.6033 5.6118 6.4565 6.5193 6.7812 6.7918 7.0176 7.0723 7.1256 7.1424 7.3293 7.3592 8.2459 8.2548 9.9356 9.9417 10.3668 10.4449 10.6039 10.7691 11.3659 11.3694 k =-0.1729 0.2335 0.2906 ( 6852 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5070 -14.5069 -6.7948 -6.7943 -6.1120 -6.1055 -6.0676 -6.0636 -5.9395 -5.9276 -0.5571 -0.5523 1.3489 1.3506 1.4305 1.5063 1.5411 1.6255 1.6296 1.7368 1.7649 1.8036 1.8329 1.9266 1.9874 2.1562 2.2971 2.3633 2.3762 2.4189 2.4688 2.4969 2.8877 3.1082 3.2360 3.2804 3.2829 3.3698 3.6596 3.7151 3.8603 3.9464 4.1018 4.1498 4.9947 4.9979 5.0667 5.1059 5.2548 5.3596 5.5044 5.5072 5.6103 5.6366 6.4256 6.4892 6.7955 6.8018 7.0079 7.0758 7.1437 7.1703 7.3432 7.3754 8.2344 8.2435 9.9576 9.9643 10.3155 10.3627 10.6146 10.7511 11.3124 11.3160 k =-0.1638 0.2212 0.2753 ( 6840 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5070 -14.5069 -6.8148 -6.8143 -6.0990 -6.0927 -6.0571 -6.0531 -5.9385 -5.9270 -0.5591 -0.5539 1.3425 1.3478 1.4383 1.5051 1.5393 1.6301 1.6412 1.7457 1.7629 1.8027 1.8283 1.9216 1.9744 2.1438 2.3192 2.3635 2.4162 2.4325 2.4748 2.5078 2.8772 3.1112 3.2403 3.2893 3.2896 3.3588 3.6430 3.6934 3.8606 3.9516 4.0759 4.1202 4.9386 4.9434 5.0266 5.0624 5.3030 5.4007 5.5283 5.5389 5.6208 5.6640 6.3943 6.4580 6.8096 6.8120 7.0002 7.0759 7.1681 7.1995 7.3595 7.3936 8.2187 8.2280 9.9780 9.9856 10.2555 10.2798 10.6264 10.7420 11.2591 11.2629 k =-0.1547 0.2089 0.2600 ( 6840 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5069 -6.8341 -6.8337 -6.0863 -6.0801 -6.0469 -6.0431 -5.9376 -5.9264 -0.5618 -0.5565 1.3354 1.3436 1.4459 1.5029 1.5374 1.6360 1.6521 1.7534 1.7622 1.8048 1.8263 1.9206 1.9617 2.1295 2.3314 2.3651 2.4469 2.4570 2.4938 2.5208 2.8675 3.1145 3.2461 3.2962 3.2980 3.3489 3.6241 3.6701 3.8598 3.9561 4.0531 4.0928 4.8804 4.8844 4.9821 5.0163 5.3530 5.4427 5.5459 5.5682 5.6357 5.6929 6.3632 6.4265 6.8221 6.8232 6.9944 7.0751 7.1958 7.2296 7.3781 7.4136 8.1988 8.2083 9.9936 10.0030 10.1935 10.2009 10.6377 10.7386 11.2066 11.2107 k =-0.1456 0.1966 0.2447 ( 6848 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5069 -6.8528 -6.8524 -6.0738 -6.0678 -6.0371 -6.0334 -5.9366 -5.9259 -0.5653 -0.5598 1.3277 1.3381 1.4529 1.5001 1.5355 1.6425 1.6621 1.7574 1.7648 1.8093 1.8273 1.9228 1.9505 2.1137 2.3375 2.3685 2.4640 2.4878 2.5286 2.5357 2.8590 3.1178 3.2530 3.3024 3.3065 3.3400 3.6038 3.6462 3.8580 3.9597 4.0331 4.0674 4.8209 4.8220 4.9347 4.9678 5.4036 5.4847 5.5608 5.5909 5.6565 5.7222 6.3325 6.3950 6.8320 6.8362 6.9907 7.0747 7.2255 7.2605 7.3986 7.4351 8.1747 8.1844 9.9954 10.0060 10.1372 10.1418 10.6480 10.7382 11.1557 11.1601 k =-0.1365 0.1843 0.2294 ( 6844 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5069 -6.8706 -6.8703 -6.0616 -6.0559 -6.0277 -6.0242 -5.9357 -5.9255 -0.5693 -0.5638 1.3196 1.3314 1.4590 1.4972 1.5343 1.6490 1.6713 1.7579 1.7703 1.8138 1.8329 1.9233 1.9457 2.0970 2.3421 2.3739 2.4763 2.5182 2.5543 2.5696 2.8523 3.1212 3.2609 3.3081 3.3145 3.3322 3.5829 3.6226 3.8551 3.9623 4.0155 4.0437 4.7573 4.7608 4.8852 4.9175 5.4541 5.5255 5.5735 5.6082 5.6823 5.7514 6.3029 6.3641 6.8416 6.8482 6.9891 7.0751 7.2567 7.2920 7.4209 7.4578 8.1465 8.1565 9.9660 9.9714 10.1127 10.1192 10.6568 10.7390 11.1070 11.1117 k =-0.1274 0.1720 0.2141 ( 6852 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5069 -6.8876 -6.8873 -6.0499 -6.0444 -6.0187 -6.0155 -5.9348 -5.9251 -0.5738 -0.5682 1.3111 1.3238 1.4639 1.4945 1.5340 1.6549 1.6797 1.7582 1.7752 1.8165 1.8445 1.9164 1.9527 2.0796 2.3474 2.3815 2.4881 2.5413 2.5804 2.6115 2.8479 3.1244 3.2694 3.3129 3.3216 3.3251 3.5627 3.6005 3.8509 3.9635 4.0001 4.0213 4.6911 4.7006 4.8341 4.8657 5.5038 5.5628 5.5846 5.6245 5.7105 5.7798 6.2745 6.3340 6.8506 6.8586 6.9902 7.0767 7.2888 7.3236 7.4445 7.4813 8.1145 8.1247 9.9065 9.9090 10.1203 10.1239 10.6636 10.7395 11.0613 11.0662 k =-0.1183 0.1598 0.1988 ( 6832 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5069 -6.9037 -6.9035 -6.0387 -6.0335 -6.0102 -6.0072 -5.9339 -5.9248 -0.5786 -0.5731 1.3025 1.3155 1.4676 1.4920 1.5349 1.6598 1.6876 1.7591 1.7788 1.8179 1.8605 1.9069 1.9665 2.0620 2.3548 2.3913 2.5004 2.5568 2.6124 2.6527 2.8467 3.1278 3.2781 3.3160 3.3188 3.3273 3.5446 3.5812 3.8456 3.9624 3.9874 4.0001 4.6242 4.6410 4.7820 4.8129 5.5523 5.5919 5.5947 5.6462 5.7391 5.8072 6.2476 6.3051 6.8587 6.8670 6.9946 7.0800 7.3213 7.3552 7.4692 7.5053 8.0790 8.0896 9.8341 9.8420 10.1373 10.1389 10.6680 10.7384 11.0195 11.0244 k =-0.1092 0.1475 0.1835 ( 6840 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9188 -6.9186 -6.0281 -6.0233 -6.0022 -5.9994 -5.9330 -5.9245 -0.5836 -0.5783 1.2938 1.3067 1.4701 1.4898 1.5369 1.6632 1.6951 1.7608 1.7810 1.8187 1.8795 1.8975 1.9836 2.0442 2.3647 2.4029 2.5131 2.5677 2.6457 2.6922 2.8493 3.1313 3.2863 3.3106 3.3187 3.3307 3.5304 3.5661 3.8392 3.9571 3.9787 3.9797 4.5573 4.5825 4.7296 4.7596 5.5951 5.6078 5.6093 5.6770 5.7670 5.8333 6.2223 6.2774 6.8655 6.8729 7.0027 7.0853 7.3539 7.3863 7.4945 7.5293 8.0405 8.0514 9.7620 9.7732 10.1562 10.1564 10.6696 10.7348 10.9826 10.9870 k =-0.1001 0.1352 0.1682 ( 6834 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5465 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9329 -6.9327 -6.0181 -6.0138 -5.9946 -5.9921 -5.9322 -5.9243 -0.5886 -0.5836 1.2852 1.2976 1.4716 1.4881 1.5400 1.6649 1.7025 1.7633 1.7820 1.8190 1.8891 1.9005 2.0026 2.0267 2.3771 2.4163 2.5262 2.5754 2.6783 2.7297 2.8560 3.1350 3.2927 3.3019 3.3187 3.3318 3.5217 3.5564 3.8317 3.9473 3.9599 3.9739 4.4913 4.5257 4.6773 4.7064 5.6082 5.6193 5.6478 5.7129 5.7940 5.8580 6.1988 6.2512 6.8710 6.8761 7.0148 7.0930 7.3862 7.4166 7.5200 7.5530 7.9993 8.0106 9.6926 9.7057 10.1737 10.1745 10.6681 10.7280 10.9513 10.9549 k =-0.0910 0.1229 0.1529 ( 6818 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9459 -6.9457 -6.0089 -6.0050 -5.9875 -5.9854 -5.9314 -5.9242 -0.5937 -0.5889 1.2768 1.2885 1.4726 1.4867 1.5440 1.6648 1.7099 1.7664 1.7824 1.8190 1.8819 1.9227 2.0096 2.0225 2.3920 2.4309 2.5393 2.5800 2.7097 2.7648 2.8670 3.1392 3.2906 3.2948 3.3172 3.3322 3.5196 3.5530 3.8234 3.9355 3.9407 3.9700 4.4271 4.4713 4.6261 4.6538 5.6150 5.6261 5.6910 5.7496 5.8195 5.8810 6.1771 6.2266 6.8749 6.8770 7.0307 7.1033 7.4177 7.4458 7.5454 7.5761 7.9561 7.9678 9.6272 9.6412 10.1896 10.1912 10.6636 10.7178 10.9261 10.9283 k =-0.0819 0.1106 0.1376 ( 6828 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9578 -6.9577 -6.0004 -5.9971 -5.9808 -5.9791 -5.9307 -5.9241 -0.5985 -0.5941 1.2688 1.2796 1.4732 1.4856 1.5485 1.6629 1.7172 1.7694 1.7830 1.8186 1.8758 1.9453 1.9932 2.0424 2.4090 2.4460 2.5522 2.5820 2.7401 2.7970 2.8814 3.1438 3.2765 3.2896 3.3147 3.3344 3.5242 3.5558 3.8146 3.9220 3.9229 3.9654 4.3657 4.4196 4.5764 4.6026 5.6206 5.6310 5.7321 5.7854 5.8434 5.9022 6.1573 6.2035 6.8762 6.8771 7.0498 7.1165 7.4478 7.4733 7.5701 7.5980 7.9114 7.9236 9.5663 9.5805 10.2034 10.2057 10.6564 10.7047 10.9068 10.9073 k =-0.0728 0.0983 0.1223 ( 6828 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9685 -6.9684 -5.9928 -5.9901 -5.9747 -5.9734 -5.9299 -5.9241 -0.6032 -0.5991 1.2612 1.2711 1.4737 1.4848 1.5535 1.6594 1.7244 1.7713 1.7847 1.8179 1.8709 1.9644 1.9812 2.0614 2.4275 2.4612 2.5647 2.5820 2.7699 2.8265 2.8983 3.1485 3.2596 3.2778 3.3115 3.3388 3.5346 3.5642 3.8058 3.9038 3.9100 3.9589 4.3082 4.3710 4.5292 4.5535 5.6254 5.6349 5.7704 5.8192 5.8659 5.9217 6.1394 6.1821 6.8742 6.8777 7.0717 7.1325 7.4763 7.4990 7.5938 7.6185 7.8659 7.8785 9.5105 9.5244 10.2148 10.2176 10.6473 10.6897 10.8915 10.8926 k =-0.0637 0.0860 0.1070 ( 6830 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9781 -6.9779 -5.9862 -5.9839 -5.9691 -5.9682 -5.9292 -5.9241 -0.6074 -0.6038 1.2544 1.2631 1.4744 1.4843 1.5587 1.6545 1.7314 1.7720 1.7878 1.8171 1.8672 1.9583 1.9949 2.0789 2.4470 2.4758 2.5763 2.5806 2.7996 2.8532 2.9166 3.1528 3.2409 3.2619 3.3081 3.3437 3.5494 3.5772 3.7975 3.8861 3.8970 3.9498 4.2561 4.3258 4.4852 4.5073 5.6295 5.6379 5.8054 5.8501 5.8871 5.9392 6.1234 6.1624 6.8716 6.8770 7.0960 7.1508 7.5027 7.5225 7.6160 7.6370 7.8205 7.8332 9.4604 9.4735 10.2235 10.2268 10.6375 10.6742 10.8799 10.8823 k =-0.0546 0.0737 0.0918 ( 6810 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9864 -6.9863 -5.9804 -5.9786 -5.9642 -5.9636 -5.9286 -5.9241 -0.6113 -0.6081 1.2482 1.2558 1.4752 1.4839 1.5643 1.6486 1.7381 1.7719 1.7917 1.8162 1.8647 1.9445 2.0164 2.0940 2.4666 2.4891 2.5788 2.5867 2.8293 2.8772 2.9353 3.1552 3.2218 3.2443 3.3049 3.3477 3.5675 3.5936 3.7905 3.8692 3.8839 3.9375 4.2109 4.2841 4.4454 4.4647 5.6331 5.6403 5.8369 5.8772 5.9072 5.9547 6.1095 6.1445 6.8688 6.8753 7.1221 7.1713 7.5265 7.5433 7.6363 7.6529 7.7766 7.7886 9.4163 9.4282 10.2299 10.2334 10.6280 10.6593 10.8717 10.8748 k =-0.0455 0.0614 0.0765 ( 6802 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9934 -6.9934 -5.9755 -5.9742 -5.9599 -5.9595 -5.9280 -5.9243 -0.6146 -0.6119 1.2430 1.2494 1.4761 1.4836 1.5701 1.6417 1.7443 1.7715 1.7957 1.8152 1.8635 1.9310 2.0374 2.1063 2.4855 2.5008 2.5774 2.5954 2.8589 2.8985 2.9536 3.1529 3.2047 3.2264 3.3029 3.3501 3.5875 3.6119 3.7856 3.8533 3.8708 3.9213 4.1741 4.2461 4.4105 4.4267 5.6360 5.6421 5.8644 5.8992 5.9270 5.9680 6.0976 6.1282 6.8662 6.8730 7.1495 7.1928 7.5474 7.5612 7.6540 7.6644 7.7364 7.7459 9.3786 9.3889 10.2342 10.2376 10.6198 10.6458 10.8660 10.8693 k =-0.0364 0.0492 0.0612 ( 6784 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9993 -6.9992 -5.9716 -5.9707 -5.9562 -5.9561 -5.9274 -5.9244 -0.6174 -0.6152 1.2388 1.2439 1.4771 1.4832 1.5761 1.6342 1.7499 1.7710 1.7995 1.8142 1.8636 1.9183 2.0571 2.1152 2.5022 2.5106 2.5776 2.6019 2.8878 2.9174 2.9713 3.1425 3.1925 3.2096 3.3032 3.3504 3.6083 3.6307 3.7836 3.8389 3.8576 3.9016 4.1466 4.2120 4.3812 4.3940 5.6385 5.6433 5.8878 5.9157 5.9464 5.9791 6.0879 6.1138 6.8639 6.8703 7.1772 7.2145 7.5651 7.5759 7.6646 7.6673 7.7077 7.7083 9.3475 9.3560 10.2369 10.2400 10.6133 10.6342 10.8622 10.8652 k =-0.0273 0.0369 0.0459 ( 6784 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0038 -7.0037 -5.9686 -5.9679 -5.9534 -5.9534 -5.9269 -5.9246 -0.6195 -0.6179 1.2355 1.2393 1.4781 1.4828 1.5824 1.6265 1.7549 1.7702 1.8028 1.8132 1.8653 1.9067 2.0749 2.1204 2.5153 2.5182 2.5801 2.6058 2.9146 2.9336 2.9886 3.1240 3.1847 3.1947 3.3065 3.3484 3.6285 3.6483 3.7849 3.8268 3.8444 3.8796 4.1285 4.1822 4.3581 4.3675 5.6405 5.6441 5.9067 5.9273 5.9640 5.9877 6.0805 6.1010 6.8622 6.8675 7.2041 7.2345 7.5787 7.5868 7.6447 7.6606 7.6911 7.7029 9.3233 9.3299 10.2383 10.2409 10.6088 10.6246 10.8597 10.8622 k =-0.0182 0.0246 0.0306 ( 6775 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0070 -7.0070 -5.9664 -5.9660 -5.9514 -5.9513 -5.9264 -5.9249 -0.6210 -0.6199 1.2333 1.2359 1.4792 1.4824 1.5891 1.6187 1.7591 1.7691 1.8055 1.8121 1.8685 1.8964 2.0904 2.1217 2.5237 2.5238 2.5855 2.6066 2.9371 2.9465 3.0066 3.1010 3.1788 3.1831 3.3127 3.3441 3.6467 3.6621 3.7901 3.8183 3.8316 3.8573 4.1192 4.1572 4.3417 4.3478 5.6421 5.6445 5.9212 5.9345 5.9785 5.9936 6.0758 6.0903 6.8612 6.8651 7.2284 7.2504 7.5874 7.5932 7.6228 7.6352 7.6973 7.7056 9.3063 9.3107 10.2392 10.2410 10.6064 10.6170 10.8582 10.8600 k =-0.0091 0.0123 0.0153 ( 6769 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0090 -7.0090 -5.9651 -5.9649 -5.9501 -5.9501 -5.9259 -5.9252 -0.6218 -0.6212 1.2323 1.2335 1.4802 1.4818 1.5961 1.6109 1.7626 1.7675 1.8077 1.8109 1.8732 1.8873 2.1032 2.1191 2.5273 2.5279 2.5925 2.6043 2.9519 2.9551 3.0271 3.0759 3.1745 3.1758 3.3208 3.3376 3.6611 3.6699 3.7988 3.8156 3.8197 3.8370 4.1181 4.1377 4.3323 4.3353 5.6433 5.6445 5.9311 5.9376 5.9890 5.9962 6.0743 6.0818 6.8610 6.8630 7.2474 7.2592 7.5891 7.5931 7.6125 7.6183 7.7034 7.7075 9.2964 9.2986 10.2397 10.2406 10.6061 10.6114 10.8576 10.8585 k = 0.0000 0.0000 0.0000 ( 6763 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0096 -7.0096 -5.9646 -5.9646 -5.9497 -5.9497 -5.9255 -5.9255 -0.6219 -0.6219 1.2323 1.2323 1.4810 1.4810 1.6034 1.6034 1.7654 1.7654 1.8095 1.8095 1.8795 1.8795 2.1129 2.1129 2.5288 2.5288 2.5994 2.5994 2.9576 2.9576 3.0507 3.0507 3.1731 3.1731 3.3295 3.3295 3.6695 3.6695 3.8092 3.8092 3.8218 3.8218 4.1245 4.1245 4.3301 4.3301 5.6441 5.6441 5.9365 5.9365 5.9949 5.9949 6.0763 6.0763 6.8617 6.8617 7.2583 7.2583 7.5891 7.5891 7.6126 7.6126 7.7069 7.7069 9.2939 9.2939 10.2402 10.2402 10.6078 10.6078 10.8577 10.8577 k = 0.0000 0.0000 0.0000 ( 6763 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0096 -7.0096 -5.9646 -5.9646 -5.9497 -5.9497 -5.9255 -5.9255 -0.6219 -0.6219 1.2323 1.2323 1.4810 1.4810 1.6034 1.6034 1.7654 1.7654 1.8095 1.8095 1.8795 1.8795 2.1129 2.1129 2.5288 2.5288 2.5994 2.5994 2.9576 2.9576 3.0507 3.0507 3.1731 3.1731 3.3295 3.3295 3.6695 3.6695 3.8092 3.8092 3.8218 3.8218 4.1245 4.1245 4.3301 4.3301 5.6441 5.6441 5.9365 5.9365 5.9949 5.9949 6.0763 6.0763 6.8617 6.8617 7.2583 7.2583 7.5891 7.5891 7.6126 7.6126 7.7069 7.7069 9.2939 9.2939 10.2402 10.2402 10.6078 10.6078 10.8577 10.8577 k = 0.0172 0.0128-0.0000 ( 6759 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0090 -7.0090 -5.9646 -5.9646 -5.9497 -5.9497 -5.9264 -5.9264 -0.6228 -0.6228 1.2337 1.2337 1.4812 1.4812 1.6027 1.6027 1.7653 1.7653 1.8078 1.8078 1.8820 1.8820 2.1120 2.1120 2.5272 2.5272 2.6000 2.6000 2.9575 2.9575 3.0514 3.0514 3.1747 3.1747 3.3298 3.3298 3.6700 3.6700 3.8097 3.8097 3.8224 3.8224 4.1248 4.1248 4.3315 4.3315 5.6415 5.6415 5.9369 5.9369 5.9952 5.9952 6.0772 6.0772 6.8610 6.8610 7.2564 7.2564 7.5872 7.5872 7.6117 7.6117 7.7113 7.7113 9.2942 9.2942 10.2405 10.2405 10.6048 10.6048 10.8535 10.8535 k = 0.0345 0.0255-0.0000 ( 6787 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0070 -7.0070 -5.9647 -5.9647 -5.9498 -5.9498 -5.9290 -5.9290 -0.6256 -0.6256 1.2376 1.2376 1.4816 1.4816 1.6007 1.6007 1.7651 1.7651 1.8032 1.8032 1.8886 1.8886 2.1092 2.1092 2.5227 2.5227 2.6016 2.6016 2.9570 2.9570 3.0537 3.0537 3.1796 3.1796 3.3306 3.3306 3.6711 3.6711 3.8113 3.8113 3.8241 3.8241 4.1256 4.1256 4.3359 4.3359 5.6336 5.6336 5.9379 5.9379 5.9962 5.9962 6.0795 6.0795 6.8591 6.8591 7.2507 7.2507 7.5816 7.5816 7.6083 7.6083 7.7244 7.7244 9.2950 9.2950 10.2416 10.2416 10.5957 10.5957 10.8410 10.8410 k = 0.0517 0.0383-0.0000 ( 6799 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -7.0037 -7.0037 -5.9647 -5.9647 -5.9500 -5.9500 -5.9334 -5.9334 -0.6301 -0.6301 1.2438 1.2438 1.4825 1.4825 1.5975 1.5975 1.7646 1.7646 1.7974 1.7974 1.8982 1.8982 2.1047 2.1047 2.5159 2.5159 2.6037 2.6037 2.9565 2.9565 3.0574 3.0574 3.1876 3.1876 3.3319 3.3319 3.6731 3.6731 3.8140 3.8140 3.8269 3.8269 4.1265 4.1265 4.3435 4.3435 5.6209 5.6209 5.9397 5.9397 5.9981 5.9981 6.0831 6.0831 6.8559 6.8559 7.2423 7.2423 7.5724 7.5724 7.6019 7.6019 7.7460 7.7460 9.2965 9.2965 10.2436 10.2436 10.5806 10.5806 10.8202 10.8202 k = 0.0690 0.0511-0.0000 ( 6819 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9991 -6.9991 -5.9649 -5.9649 -5.9502 -5.9502 -5.9395 -5.9395 -0.6363 -0.6363 1.2519 1.2519 1.4839 1.4839 1.5934 1.5934 1.7638 1.7638 1.7917 1.7917 1.9095 1.9095 2.0987 2.0987 2.5074 2.5074 2.6057 2.6057 2.9559 2.9559 3.0626 3.0626 3.1983 3.1983 3.3339 3.3339 3.6758 3.6758 3.8178 3.8178 3.8308 3.8308 4.1270 4.1270 4.3548 4.3548 5.6039 5.6039 5.9422 5.9422 6.0006 6.0006 6.0877 6.0877 6.8515 6.8515 7.2321 7.2321 7.5600 7.5600 7.5920 7.5920 7.7749 7.7749 9.2985 9.2985 10.2463 10.2463 10.5595 10.5595 10.7916 10.7916 k = 0.0862 0.0638-0.0000 ( 6811 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9933 -6.9933 -5.9651 -5.9651 -5.9506 -5.9506 -5.9471 -5.9471 -0.6440 -0.6440 1.2611 1.2611 1.4857 1.4857 1.5887 1.5887 1.7622 1.7622 1.7872 1.7872 1.9220 1.9220 2.0914 2.0914 2.4979 2.4979 2.6073 2.6073 2.9552 2.9552 3.0693 3.0693 3.2115 3.2115 3.3366 3.3366 3.6789 3.6789 3.8226 3.8226 3.8358 3.8358 4.1265 4.1265 4.3701 4.3701 5.5832 5.5832 5.9453 5.9453 6.0038 6.0038 6.0930 6.0930 6.8459 6.8459 7.2212 7.2212 7.5446 7.5446 7.5789 7.5789 7.8097 7.8097 9.3009 9.3009 10.2500 10.2500 10.5324 10.5324 10.7554 10.7554 k = 0.1034 0.0766-0.0000 ( 6807 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9861 -6.9861 -5.9655 -5.9655 -5.9564 -5.9564 -5.9508 -5.9507 -0.6530 -0.6530 1.2707 1.2707 1.4878 1.4878 1.5838 1.5838 1.7596 1.7596 1.7849 1.7849 1.9352 1.9352 2.0831 2.0831 2.4876 2.4876 2.6082 2.6082 2.9545 2.9545 3.0772 3.0772 3.2267 3.2267 3.3400 3.3400 3.6824 3.6824 3.8283 3.8283 3.8419 3.8419 4.1244 4.1244 4.3897 4.3897 5.5594 5.5594 5.9491 5.9491 6.0078 6.0078 6.0987 6.0987 6.8391 6.8391 7.2104 7.2104 7.5262 7.5262 7.5628 7.5628 7.8491 7.8491 9.3037 9.3037 10.2547 10.2547 10.4996 10.4996 10.7123 10.7123 k = 0.1207 0.0894-0.0000 ( 6799 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9777 -6.9777 -5.9694 -5.9694 -5.9637 -5.9637 -5.9512 -5.9512 -0.6632 -0.6632 1.2799 1.2799 1.4900 1.4900 1.5793 1.5793 1.7560 1.7560 1.7853 1.7853 1.9486 1.9486 2.0745 2.0746 2.4769 2.4769 2.6083 2.6083 2.9538 2.9538 3.0864 3.0864 3.2437 3.2437 3.3444 3.3444 3.6860 3.6860 3.8350 3.8350 3.8491 3.8491 4.1204 4.1204 4.4137 4.4137 5.5334 5.5334 5.9534 5.9534 6.0124 6.0124 6.1045 6.1045 6.8311 6.8311 7.2000 7.2000 7.5053 7.5053 7.5440 7.5440 7.8919 7.8919 9.3067 9.3067 10.2606 10.2606 10.4613 10.4613 10.6629 10.6629 k = 0.1379 0.1022-0.0000 ( 6819 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9681 -6.9681 -5.9811 -5.9811 -5.9648 -5.9648 -5.9516 -5.9516 -0.6744 -0.6744 1.2879 1.2879 1.4914 1.4914 1.5760 1.5760 1.7518 1.7518 1.7884 1.7884 1.9620 1.9620 2.0664 2.0664 2.4660 2.4660 2.6075 2.6075 2.9531 2.9531 3.0963 3.0963 3.2620 3.2620 3.3497 3.3497 3.6893 3.6893 3.8425 3.8425 3.8573 3.8573 4.1143 4.1143 4.4419 4.4419 5.5057 5.5057 5.9581 5.9581 6.0174 6.0174 6.1103 6.1103 6.8220 6.8220 7.1906 7.1906 7.4820 7.4820 7.5228 7.5228 7.9369 7.9369 9.3098 9.3098 10.2678 10.2678 10.4181 10.4181 10.6080 10.6080 k = 0.1552 0.1149-0.0000 ( 6811 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9572 -6.9572 -5.9950 -5.9950 -5.9651 -5.9651 -5.9521 -5.9521 -0.6863 -0.6863 1.2942 1.2942 1.4913 1.4913 1.5744 1.5744 1.7473 1.7473 1.7941 1.7941 1.9741 1.9741 2.0603 2.0603 2.4552 2.4552 2.6062 2.6062 2.9524 2.9524 3.1069 3.1069 3.2813 3.2813 3.3564 3.3564 3.6922 3.6922 3.8509 3.8509 3.8666 3.8666 4.1061 4.1061 4.4740 4.4740 5.4770 5.4770 5.9632 5.9632 6.0230 6.0230 6.1159 6.1159 6.8118 6.8118 7.1823 7.1823 7.4569 7.4569 7.4997 7.4997 7.9833 7.9833 9.3127 9.3127 10.2764 10.2764 10.3707 10.3707 10.5485 10.5485 k = 0.1724 0.1277-0.0000 ( 6811 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9451 -6.9451 -6.0105 -6.0105 -5.9653 -5.9653 -5.9526 -5.9526 -0.6987 -0.6987 1.2985 1.2985 1.4891 1.4891 1.5747 1.5747 1.7427 1.7427 1.8027 1.8027 1.9829 1.9829 2.0592 2.0592 2.4444 2.4444 2.6041 2.6041 2.9517 2.9517 3.1178 3.1178 3.3012 3.3012 3.3643 3.3643 3.6943 3.6943 3.8599 3.8599 3.8767 3.8767 4.0961 4.0961 4.5096 4.5096 5.4478 5.4478 5.9685 5.9685 6.0289 6.0289 6.1213 6.1213 6.8006 6.8006 7.1752 7.1752 7.4301 7.4301 7.4749 7.4749 8.0302 8.0302 9.3153 9.3153 10.2838 10.2838 10.3224 10.3224 10.4853 10.4853 k = 0.1897 0.1405-0.0000 ( 6819 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5464 -14.5464 -14.5139 -14.5139 -14.5070 -14.5070 -6.9319 -6.9319 -6.0274 -6.0274 -5.9655 -5.9655 -5.9532 -5.9532 -0.7116 -0.7116 1.3007 1.3007 1.4847 1.4847 1.5763 1.5763 1.7380 1.7380 1.8139 1.8139 1.9858 1.9858 2.0664 2.0664 2.4338 2.4338 2.6016 2.6016 2.9509 2.9509 3.1287 3.1287 3.3212 3.3212 3.3737 3.3737 3.6953 3.6953 3.8696 3.8696 3.8877 3.8877 4.0844 4.0844 4.5482 4.5482 5.4187 5.4187 5.9739 5.9739 6.0349 6.0350 6.1263 6.1263 6.7883 6.7883 7.1693 7.1693 7.4022 7.4022 7.4488 7.4488 8.0769 8.0769 9.3173 9.3173 10.2566 10.2566 10.3079 10.3079 10.4196 10.4196 k = 0.2069 0.1532-0.0000 ( 6827 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5463 -14.5463 -14.5139 -14.5139 -14.5070 -14.5070 -6.9176 -6.9176 -6.0456 -6.0456 -5.9657 -5.9657 -5.9537 -5.9537 -0.7246 -0.7246 1.3010 1.3010 1.4787 1.4787 1.5783 1.5783 1.7331 1.7331 1.8274 1.8274 1.9825 1.9825 2.0829 2.0829 2.4236 2.4236 2.5987 2.5987 2.9502 2.9502 3.1392 3.1392 3.3411 3.3411 3.3848 3.3848 3.6945 3.6946 3.8798 3.8798 3.8994 3.8994 4.0715 4.0715 4.5894 4.5894 5.3903 5.3903 5.9794 5.9794 6.0412 6.0412 6.1310 6.1310 6.7750 6.7750 7.1645 7.1645 7.3735 7.3735 7.4218 7.4218 8.1229 8.1229 9.3186 9.3186 10.2012 10.2012 10.3200 10.3200 10.3541 10.3541 k = 0.2241 0.1660-0.0000 ( 6807 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5463 -14.5463 -14.5139 -14.5139 -14.5070 -14.5070 -6.9022 -6.9022 -6.0650 -6.0650 -5.9658 -5.9658 -5.9543 -5.9543 -0.7375 -0.7375 1.2997 1.2997 1.4717 1.4717 1.5801 1.5801 1.7281 1.7281 1.8425 1.8425 1.9756 1.9756 2.1074 2.1074 2.4138 2.4138 2.5956 2.5956 2.9495 2.9495 3.1491 3.1491 3.3603 3.3604 3.3976 3.3976 3.6917 3.6917 3.8902 3.8902 3.9117 3.9117 4.0580 4.0580 4.6325 4.6325 5.3628 5.3628 5.9848 5.9848 6.0475 6.0475 6.1355 6.1355 6.7608 6.7608 7.1608 7.1608 7.3445 7.3445 7.3944 7.3944 8.1675 8.1675 9.3188 9.3188 10.1424 10.1424 10.2802 10.2802 10.3447 10.3447 k = 0.2414 0.1788-0.0000 ( 6831 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5139 -14.5139 -14.5070 -14.5070 -6.8858 -6.8858 -6.0855 -6.0855 -5.9660 -5.9660 -5.9550 -5.9550 -0.7504 -0.7504 1.2970 1.2970 1.4640 1.4640 1.5810 1.5810 1.7227 1.7227 1.8579 1.8579 1.9671 1.9671 2.1382 2.1382 2.4044 2.4044 2.5924 2.5924 2.9487 2.9487 3.1581 3.1581 3.3787 3.3787 3.4119 3.4119 3.6861 3.6861 3.9004 3.9004 3.9244 3.9244 4.0446 4.0447 4.6771 4.6771 5.3367 5.3367 5.9899 5.9899 6.0536 6.0536 6.1395 6.1395 6.7457 6.7457 7.1579 7.1579 7.3155 7.3155 7.3668 7.3668 8.2103 8.2103 9.3178 9.3178 10.0823 10.0823 10.2121 10.2121 10.3674 10.3674 k = 0.2586 0.1915-0.0000 ( 6827 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5139 -14.5139 -14.5070 -14.5070 -6.8684 -6.8684 -6.1069 -6.1069 -5.9662 -5.9662 -5.9556 -5.9556 -0.7629 -0.7629 1.2932 1.2932 1.4562 1.4562 1.5810 1.5810 1.7171 1.7171 1.8730 1.8730 1.9583 1.9583 2.1748 2.1748 2.3956 2.3956 2.5894 2.5894 2.9481 2.9481 3.1663 3.1663 3.3961 3.3961 3.4275 3.4275 3.6772 3.6772 3.9099 3.9099 3.9374 3.9374 4.0327 4.0327 4.7227 4.7227 5.3123 5.3123 5.9947 5.9947 6.0594 6.0594 6.1432 6.1432 6.7298 6.7298 7.1559 7.1559 7.2870 7.2870 7.3395 7.3395 8.2510 8.2510 9.3155 9.3155 10.0221 10.0221 10.1440 10.1440 10.3947 10.3947 k = 0.2759 0.2043-0.0000 ( 6815 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.8501 -6.8501 -6.1293 -6.1293 -5.9663 -5.9663 -5.9563 -5.9563 -0.7751 -0.7751 1.2887 1.2887 1.4486 1.4486 1.5803 1.5803 1.7113 1.7113 1.8867 1.8867 1.9498 1.9498 2.2164 2.2164 2.3874 2.3874 2.5866 2.5866 2.9475 2.9475 3.1734 3.1734 3.4125 3.4126 3.4439 3.4439 3.6644 3.6644 3.9174 3.9174 3.9505 3.9505 4.0238 4.0238 4.7687 4.7687 5.2898 5.2898 5.9990 5.9990 6.0649 6.0649 6.1466 6.1466 6.7133 6.7133 7.1545 7.1545 7.2595 7.2595 7.3130 7.3130 8.2893 8.2893 9.3118 9.3118 9.9627 9.9627 10.0771 10.0771 10.4261 10.4261 k = 0.2931 0.2171-0.0000 ( 6823 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.8310 -6.8310 -6.1523 -6.1523 -5.9664 -5.9664 -5.9569 -5.9569 -0.7867 -0.7867 1.2836 1.2836 1.4412 1.4412 1.5787 1.5787 1.7052 1.7052 1.8984 1.8984 1.9424 1.9424 2.2621 2.2621 2.3800 2.3800 2.5845 2.5845 2.9470 2.9470 3.1795 3.1795 3.4281 3.4281 3.4602 3.4602 3.6471 3.6471 3.9218 3.9218 3.9636 3.9636 4.0197 4.0197 4.8148 4.8148 5.2693 5.2693 6.0027 6.0027 6.0699 6.0699 6.1496 6.1496 6.6961 6.6961 7.1536 7.1536 7.2330 7.2330 7.2875 7.2875 8.3248 8.3248 9.3069 9.3069 9.9047 9.9047 10.0123 10.0123 10.4611 10.4611 k = 0.3103 0.2299-0.0000 ( 6851 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.8112 -6.8112 -6.1761 -6.1761 -5.9665 -5.9665 -5.9576 -5.9576 -0.7976 -0.7976 1.2781 1.2781 1.4341 1.4341 1.5767 1.5767 1.6990 1.6990 1.9072 1.9072 1.9370 1.9370 2.3103 2.3103 2.3742 2.3742 2.5833 2.5833 2.9465 2.9465 3.1847 3.1847 3.4428 3.4428 3.4760 3.4760 3.6250 3.6250 3.9222 3.9222 3.9766 3.9766 4.0212 4.0212 4.8602 4.8602 5.2510 5.2510 6.0057 6.0057 6.0743 6.0743 6.1524 6.1524 6.6786 6.6786 7.1527 7.1527 7.2081 7.2081 7.2635 7.2635 8.3574 8.3574 9.3008 9.3008 9.8489 9.8489 9.9501 9.9501 10.4995 10.4995 k = 0.3276 0.2426-0.0000 ( 6855 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.7907 -6.7907 -6.2002 -6.2002 -5.9666 -5.9666 -5.9582 -5.9582 -0.8079 -0.8079 1.2726 1.2726 1.4275 1.4275 1.5744 1.5744 1.6928 1.6928 1.9115 1.9115 1.9353 1.9353 2.3510 2.3510 2.3784 2.3784 2.5839 2.5839 2.9462 2.9462 3.1892 3.1892 3.4562 3.4562 3.4905 3.4906 3.5985 3.5986 3.9193 3.9193 3.9897 3.9897 4.0276 4.0276 4.9044 4.9044 5.2349 5.2349 6.0079 6.0079 6.0781 6.0781 6.1549 6.1549 6.6609 6.6609 7.1517 7.1517 7.1852 7.1853 7.2417 7.2417 8.3871 8.3871 9.2937 9.2937 9.7961 9.7961 9.8912 9.8912 10.5407 10.5407 k = 0.3448 0.2554-0.0000 ( 6835 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.7697 -6.7697 -6.2247 -6.2247 -5.9666 -5.9666 -5.9588 -5.9588 -0.8173 -0.8173 1.2672 1.2672 1.4215 1.4215 1.5719 1.5719 1.6867 1.6867 1.9107 1.9107 1.9382 1.9382 2.3553 2.3553 2.4194 2.4194 2.5882 2.5882 2.9461 2.9461 3.1930 3.1930 3.4673 3.4673 3.5028 3.5028 3.5695 3.5696 3.9149 3.9149 4.0029 4.0029 4.0371 4.0371 4.9469 4.9469 5.2210 5.2210 6.0095 6.0095 6.0812 6.0812 6.1573 6.1573 6.6433 6.6433 7.1495 7.1495 7.1650 7.1650 7.2225 7.2225 8.4138 8.4138 9.2859 9.2859 9.7467 9.7467 9.8361 9.8361 10.5839 10.5839 k = 0.3621 0.2682-0.0000 ( 6835 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.7484 -6.7484 -6.2492 -6.2492 -5.9667 -5.9667 -5.9594 -5.9594 -0.8260 -0.8260 1.2620 1.2620 1.4161 1.4161 1.5694 1.5694 1.6809 1.6809 1.9075 1.9075 1.9430 1.9430 2.3513 2.3513 2.4643 2.4643 2.5997 2.5997 2.9463 2.9463 3.1961 3.1961 3.4715 3.4716 3.5092 3.5092 3.5458 3.5458 3.9100 3.9100 4.0159 4.0159 4.0479 4.0479 4.9870 4.9870 5.2093 5.2093 6.0102 6.0102 6.0836 6.0836 6.1593 6.1593 6.6261 6.6261 7.1417 7.1417 7.1513 7.1513 7.2068 7.2068 8.4374 8.4374 9.2777 9.2777 9.7013 9.7013 9.7854 9.7854 10.6282 10.6282 k = 0.3793 0.2809-0.0000 ( 6827 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.7270 -6.7270 -6.2736 -6.2736 -5.9667 -5.9667 -5.9600 -5.9600 -0.8337 -0.8337 1.2571 1.2571 1.4112 1.4112 1.5670 1.5670 1.6754 1.6754 1.9038 1.9038 1.9479 1.9479 2.3470 2.3470 2.4982 2.4982 2.6251 2.6251 2.9468 2.9468 3.1986 3.1986 3.4545 3.4545 3.5097 3.5098 3.5421 3.5421 3.9054 3.9054 4.0284 4.0284 4.0590 4.0590 5.0239 5.0239 5.1998 5.1998 6.0104 6.0104 6.0854 6.0854 6.1611 6.1611 6.6095 6.6095 7.1270 7.1270 7.1449 7.1449 7.1952 7.1952 8.4581 8.4581 9.2694 9.2694 9.6604 9.6604 9.7394 9.7394 10.6724 10.6724 k = 0.3966 0.2937-0.0000 ( 6811 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.7058 -6.7058 -6.2974 -6.2974 -5.9667 -5.9667 -5.9605 -5.9605 -0.8404 -0.8404 1.2527 1.2527 1.4070 1.4070 1.5648 1.5648 1.6703 1.6703 1.9004 1.9004 1.9522 1.9522 2.3430 2.3430 2.5169 2.5169 2.6668 2.6668 2.9482 2.9482 3.2007 3.2007 3.4157 3.4157 3.5151 3.5151 3.5487 3.5487 3.9014 3.9014 4.0401 4.0401 4.0697 4.0697 5.0569 5.0569 5.1927 5.1927 6.0100 6.0100 6.0866 6.0866 6.1628 6.1628 6.5940 6.5940 7.1132 7.1132 7.1379 7.1379 7.1880 7.1880 8.4758 8.4758 9.2613 9.2613 9.6244 9.6244 9.6986 9.6986 10.7153 10.7153 k = 0.4138 0.3065-0.0000 ( 6815 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6852 -6.6852 -6.3203 -6.3203 -5.9666 -5.9666 -5.9610 -5.9610 -0.8462 -0.8462 1.2488 1.2488 1.4034 1.4034 1.5628 1.5628 1.6658 1.6658 1.8974 1.8974 1.9559 1.9559 2.3396 2.3396 2.5255 2.5255 2.7187 2.7187 2.9505 2.9505 3.2021 3.2021 3.3679 3.3679 3.5220 3.5220 3.5561 3.5561 3.8980 3.8980 4.0506 4.0506 4.0794 4.0794 5.0850 5.0850 5.1881 5.1881 6.0093 6.0093 6.0873 6.0873 6.1641 6.1641 6.5799 6.5799 7.1015 7.1015 7.1301 7.1301 7.1841 7.1841 8.4907 8.4907 9.2537 9.2537 9.5935 9.5935 9.6635 9.6635 10.7554 10.7554 k = 0.4310 0.3192-0.0000 ( 6822 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6657 -6.6657 -6.3416 -6.3416 -5.9666 -5.9666 -5.9614 -5.9614 -0.8510 -0.8510 1.2455 1.2455 1.4004 1.4004 1.5610 1.5610 1.6620 1.6620 1.8950 1.8950 1.9588 1.9588 2.3368 2.3368 2.5293 2.5293 2.7736 2.7736 2.9553 2.9553 3.2028 3.2028 3.3159 3.3159 3.5285 3.5285 3.5628 3.5628 3.8954 3.8954 4.0598 4.0598 4.0878 4.0878 5.1071 5.1071 5.1863 5.1863 6.0083 6.0083 6.0876 6.0876 6.1652 6.1652 6.5676 6.5676 7.0919 7.0919 7.1225 7.1226 7.1822 7.1822 8.5027 8.5027 9.2469 9.2469 9.5681 9.5681 9.6342 9.6342 10.7914 10.7914 k = 0.4483 0.3320-0.0000 ( 6850 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6484 -6.6484 -6.3604 -6.3604 -5.9665 -5.9665 -5.9618 -5.9618 -0.8547 -0.8547 1.2428 1.2428 1.3981 1.3981 1.5596 1.5596 1.6590 1.6590 1.8930 1.8930 1.9611 1.9611 2.3345 2.3345 2.5309 2.5309 2.8251 2.8251 2.9655 2.9655 3.2016 3.2016 3.2624 3.2624 3.5337 3.5337 3.5681 3.5681 3.8934 3.8934 4.0672 4.0672 4.0945 4.0945 5.1224 5.1224 5.1875 5.1875 6.0073 6.0073 6.0877 6.0877 6.1660 6.1660 6.5576 6.5576 7.0846 7.0846 7.1161 7.1161 7.1813 7.1813 8.5119 8.5119 9.2413 9.2413 9.5482 9.5482 9.6111 9.6111 10.8215 10.8215 k = 0.4655 0.3448-0.0000 ( 6834 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6343 -6.6343 -6.3756 -6.3756 -5.9665 -5.9665 -5.9620 -5.9620 -0.8574 -0.8574 1.2410 1.2410 1.3965 1.3965 1.5587 1.5587 1.6567 1.6567 1.8917 1.8917 1.9627 1.9627 2.3329 2.3329 2.5317 2.5317 2.8651 2.8651 2.9873 2.9873 3.1876 3.1876 3.2202 3.2202 3.5376 3.5376 3.5720 3.5720 3.8920 3.8920 4.0727 4.0727 4.0995 4.0995 5.1313 5.1313 5.1910 5.1910 6.0065 6.0065 6.0877 6.0877 6.1667 6.1667 6.5502 6.5502 7.0795 7.0795 7.1113 7.1113 7.1810 7.1810 8.5185 8.5185 9.2370 9.2370 9.5340 9.5340 9.5945 9.5945 10.8443 10.8443 k = 0.4828 0.3576-0.0000 ( 6842 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6249 -6.6249 -6.3857 -6.3857 -5.9665 -5.9665 -5.9622 -5.9622 -0.8590 -0.8590 1.2398 1.2398 1.3955 1.3955 1.5581 1.5581 1.6554 1.6554 1.8908 1.8908 1.9636 1.9636 2.3319 2.3319 2.5320 2.5320 2.8868 2.8868 3.0245 3.0245 3.1406 3.1406 3.2115 3.2115 3.5400 3.5400 3.5744 3.5744 3.8912 3.8912 4.0761 4.0761 4.1025 4.1025 5.1355 5.1355 5.1944 5.1944 6.0060 6.0060 6.0876 6.0876 6.1671 6.1671 6.5456 6.5456 7.0764 7.0764 7.1084 7.1084 7.1809 7.1809 8.5224 8.5224 9.2344 9.2344 9.5255 9.5255 9.5844 9.5844 10.8585 10.8585 k = 0.5000 0.3703-0.0000 ( 6830 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6216 -6.6216 -6.3892 -6.3892 -5.9664 -5.9664 -5.9622 -5.9622 -0.8595 -0.8595 1.2394 1.2394 1.3952 1.3952 1.5579 1.5579 1.6549 1.6549 1.8906 1.8906 1.9640 1.9640 2.3316 2.3316 2.5321 2.5321 2.8930 2.8930 3.0580 3.0580 3.1031 3.1031 3.2106 3.2106 3.5408 3.5408 3.5752 3.5752 3.8909 3.8909 4.0773 4.0773 4.1036 4.1036 5.1367 5.1367 5.1958 5.1958 6.0058 6.0058 6.0876 6.0876 6.1672 6.1672 6.5440 6.5440 7.0754 7.0754 7.1074 7.1074 7.1809 7.1809 8.5237 8.5237 9.2335 9.2335 9.5226 9.5226 9.5811 9.5811 10.8634 10.8634 k = 0.5000 0.3703-0.0000 ( 6830 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6216 -6.6216 -6.3892 -6.3892 -5.9664 -5.9664 -5.9622 -5.9622 -0.8595 -0.8595 1.2394 1.2394 1.3952 1.3952 1.5579 1.5579 1.6549 1.6549 1.8906 1.8906 1.9640 1.9640 2.3316 2.3316 2.5321 2.5321 2.8930 2.8930 3.0580 3.0580 3.1031 3.1031 3.2106 3.2106 3.5408 3.5408 3.5752 3.5752 3.8909 3.8909 4.0773 4.0773 4.1036 4.1036 5.1367 5.1367 5.1958 5.1958 6.0058 6.0058 6.0876 6.0876 6.1672 6.1672 6.5440 6.5440 7.0754 7.0754 7.1074 7.1074 7.1809 7.1809 8.5237 8.5237 9.2335 9.2335 9.5226 9.5226 9.5811 9.5811 10.8634 10.8634 k = 0.4909 0.3826 0.0152 ( 6832 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6214 -6.6211 -6.3889 -6.3887 -5.9671 -5.9667 -5.9628 -5.9624 -0.8591 -0.8587 1.2401 1.2401 1.3929 1.3974 1.5577 1.5577 1.6485 1.6594 1.8859 1.8942 1.9589 1.9699 2.3268 2.3372 2.5260 2.5384 2.8861 2.8969 3.0512 3.0623 3.1021 3.1033 3.1967 3.2219 3.5400 3.5408 3.5758 3.5767 3.8837 3.8963 4.0666 4.0879 4.1067 4.1081 5.1333 5.1402 5.1944 5.1965 5.9998 6.0082 6.0849 6.0859 6.1695 6.1696 6.5445 6.5445 7.0738 7.0750 7.1031 7.1112 7.1784 7.1858 8.5229 8.5232 9.2349 9.2400 9.5235 9.5256 9.5817 9.5839 10.8637 10.8697 k = 0.4819 0.3948 0.0305 ( 6828 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6206 -6.6199 -6.3879 -6.3875 -5.9688 -5.9685 -5.9638 -5.9626 -0.8575 -0.8566 1.2419 1.2419 1.3905 1.3994 1.5568 1.5570 1.6404 1.6619 1.8803 1.8967 1.9546 1.9765 2.3231 2.3435 2.5200 2.5450 2.8768 2.8975 3.0414 3.0649 3.1010 3.1019 3.1817 3.2294 3.5377 3.5409 3.5796 3.5797 3.8748 3.8995 4.0587 4.0961 4.1150 4.1220 5.1301 5.1435 5.1921 5.1966 5.9905 6.0062 6.0784 6.0811 6.1761 6.1762 6.5460 6.5460 7.0706 7.0712 7.1006 7.1131 7.1789 7.1918 8.5207 8.5215 9.2441 9.2545 9.5279 9.5318 9.5860 9.5910 10.8707 10.8825 k = 0.4728 0.4071 0.0457 ( 6834 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5462 -14.5138 -14.5138 -14.5070 -14.5070 -6.6190 -6.6180 -6.3862 -6.3856 -5.9724 -5.9722 -5.9645 -5.9624 -0.8546 -0.8533 1.2450 1.2450 1.3880 1.4012 1.5553 1.5558 1.6307 1.6625 1.8737 1.8981 1.9512 1.9837 2.3201 2.3501 2.5141 2.5516 2.8652 2.8939 3.0275 3.0661 3.0989 3.1007 3.1673 3.2325 3.5339 3.5409 3.5836 3.5868 3.8644 3.9007 4.0545 4.1049 4.1277 4.1416 5.1271 5.1461 5.1892 5.1966 5.9778 5.9984 6.0692 6.0756 6.1854 6.1864 6.5483 6.5484 7.0634 7.0660 7.1011 7.1133 7.1823 7.1984 8.5173 8.5184 9.2606 9.2768 9.5352 9.5402 9.5945 9.6035 10.8841 10.9016 k = 0.4637 0.4193 0.0610 ( 6838 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5462 -14.5138 -14.5138 -14.5070 -14.5070 -6.6169 -6.6154 -6.3837 -6.3829 -5.9779 -5.9777 -5.9648 -5.9619 -0.8505 -0.8487 1.2492 1.2493 1.3854 1.4028 1.5532 1.5544 1.6201 1.6615 1.8661 1.8982 1.9488 1.9915 2.3178 2.3568 2.5080 2.5579 2.8517 2.8858 3.0091 3.0665 3.0941 3.1015 3.1550 3.2309 3.5294 3.5404 3.5887 3.5966 3.8528 3.8998 4.0542 4.1164 4.1444 4.1641 5.1243 5.1475 5.1859 5.1971 5.9611 5.9839 6.0587 6.0710 6.1970 6.1992 6.5515 6.5517 7.0534 7.0596 7.1041 7.1132 7.1880 7.2051 8.5125 8.5139 9.2838 9.3064 9.5443 9.5495 9.6086 9.6230 10.9040 10.9268 k = 0.4546 0.4316 0.0762 ( 6832 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6140 -6.6123 -6.3805 -6.3795 -5.9851 -5.9849 -5.9649 -5.9613 -0.8453 -0.8431 1.2545 1.2549 1.3829 1.4041 1.5501 1.5527 1.6090 1.6591 1.8577 1.8971 1.9473 1.9998 2.3160 2.3630 2.5018 2.5636 2.8367 2.8732 2.9864 3.0665 3.0875 3.1032 3.1458 3.2252 3.5253 3.5390 3.5952 3.6081 3.8402 3.8967 4.0579 4.1313 4.1648 4.1885 5.1216 5.1471 5.1823 5.1988 5.9402 5.9632 6.0476 6.0673 6.2103 6.2142 6.5554 6.5558 7.0422 7.0514 7.1087 7.1139 7.1950 7.2116 8.5063 8.5081 9.3127 9.3425 9.5548 9.5594 9.6287 9.6500 10.9300 10.9579 k = 0.4456 0.4438 0.0914 ( 6834 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6106 -6.6085 -6.3766 -6.3754 -5.9938 -5.9936 -5.9649 -5.9605 -0.8389 -0.8362 1.2609 1.2616 1.3804 1.4051 1.5458 1.5507 1.5983 1.6558 1.8486 1.8948 1.9467 2.0084 2.3144 2.3683 2.4952 2.5677 2.8203 2.8561 2.9602 3.0662 3.0796 3.1052 3.1397 3.2163 3.5223 3.5364 3.6025 3.6208 3.8270 3.8917 4.0652 4.1495 4.1887 4.2141 5.1189 5.1450 5.1786 5.2016 5.9149 5.9372 6.0363 6.0640 6.2252 6.2312 6.5598 6.5605 7.0305 7.0417 7.1147 7.1160 7.2028 7.2178 8.4987 8.5007 9.3461 9.3835 9.5676 9.5707 9.6551 9.6846 10.9619 10.9943 k = 0.4365 0.4561 0.1067 ( 6836 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6065 -6.6041 -6.3720 -6.3706 -6.0040 -6.0037 -5.9648 -5.9597 -0.8313 -0.8284 1.2682 1.2693 1.3780 1.4056 1.5400 1.5486 1.5889 1.6519 1.8387 1.8912 1.9469 2.0173 2.3128 2.3723 2.4882 2.5687 2.8033 2.8352 2.9320 3.0648 3.0710 3.1069 3.1361 3.2063 3.5210 3.5329 3.6101 3.6339 3.8136 3.8847 4.0758 4.1710 4.2157 4.2404 5.1162 5.1415 5.1749 5.2053 5.8854 5.9070 6.0247 6.0603 6.2416 6.2501 6.5648 6.5659 7.0187 7.0310 7.1194 7.1221 7.2111 7.2239 8.4897 8.4918 9.3821 9.4263 9.5847 9.5856 9.6869 9.7264 10.9991 11.0356 k = 0.4274 0.4683 0.1219 ( 6838 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5139 -14.5138 -14.5070 -14.5070 -6.6020 -6.5992 -6.3667 -6.3651 -6.0155 -6.0152 -5.9646 -5.9588 -0.8228 -0.8195 1.2762 1.2782 1.3759 1.4056 1.5322 1.5462 1.5815 1.6479 1.8283 1.8867 1.9479 2.0264 2.3110 2.3746 2.4807 2.5651 2.7861 2.8109 2.9035 3.0604 3.0624 3.1079 3.1339 3.1974 3.5217 3.5286 3.6169 3.6471 3.8007 3.8759 4.0891 4.1957 4.2458 4.2674 5.1137 5.1373 5.1712 5.2092 5.8522 5.8734 6.0126 6.0556 6.2595 6.2707 6.5702 6.5716 7.0072 7.0196 7.1243 7.1306 7.2199 7.2299 8.4791 8.4813 9.4183 9.4658 9.6034 9.6139 9.7236 9.7752 11.0413 11.0812 k = 0.4184 0.4806 0.1372 ( 6838 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5139 -14.5138 -14.5070 -14.5070 -6.5969 -6.5939 -6.3608 -6.3590 -6.0283 -6.0279 -5.9643 -5.9578 -0.8133 -0.8097 1.2846 1.2880 1.3743 1.4050 1.5226 1.5437 1.5767 1.6442 1.8174 1.8811 1.9496 2.0355 2.3089 2.3746 2.4726 2.5550 2.7687 2.7841 2.8771 3.0513 3.0545 3.1088 3.1327 3.1917 3.5241 3.5248 3.6219 3.6599 3.7889 3.8655 4.1048 4.2233 4.2788 4.2949 5.1115 5.1331 5.1671 5.2127 5.8159 5.8374 5.9999 6.0496 6.2787 6.2927 6.5760 6.5778 6.9960 7.0079 7.1307 7.1403 7.2289 7.2358 8.4670 8.4692 9.4517 9.4965 9.6290 9.6575 9.7644 9.8307 11.0879 11.1306 k = 0.4093 0.4928 0.1524 ( 6844 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5138 -14.5070 -14.5070 -6.5915 -6.5881 -6.3542 -6.3522 -6.0421 -6.0418 -5.9639 -5.9568 -0.8029 -0.7990 1.2931 1.2986 1.3736 1.4037 1.5119 1.5413 1.5743 1.6412 1.8061 1.8745 1.9519 2.0447 2.3065 2.3717 2.4643 2.5375 2.7495 2.7551 2.8554 3.0362 3.0476 3.1102 3.1317 3.1896 3.5194 3.5304 3.6242 3.6720 3.7793 3.8536 4.1226 4.2537 4.3144 4.3229 5.1097 5.1294 5.1625 5.2152 5.7771 5.7996 5.9862 6.0420 6.2989 6.3159 6.5822 6.5843 6.9853 6.9961 7.1382 7.1511 7.2381 7.2418 8.4535 8.4557 9.4801 9.5179 9.6628 9.7165 9.8089 9.8927 11.1382 11.1831 k = 0.4002 0.5051 0.1677 ( 6844 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5857 -6.5821 -6.3470 -6.3448 -6.0570 -6.0565 -5.9634 -5.9557 -0.7917 -0.7875 1.3011 1.3101 1.3740 1.4017 1.5007 1.5389 1.5740 1.6392 1.7946 1.8670 1.9549 2.0537 2.3039 2.3654 2.4561 2.5126 2.7243 2.7265 2.8406 3.0162 3.0423 3.1125 3.1306 3.1902 3.5148 3.5389 3.6230 3.6833 3.7727 3.8402 4.1420 4.2863 4.3516 4.3525 5.1086 5.1267 5.1568 5.2161 5.7366 5.7608 5.9714 6.0329 6.3201 6.3402 6.5886 6.5910 6.9752 6.9845 7.1469 7.1628 7.2475 7.2479 8.4386 8.4406 9.5029 9.5334 9.7046 9.7864 9.8571 9.9612 11.1915 11.2379 k = 0.3911 0.5173 0.1829 ( 6836 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5797 -6.5759 -6.3392 -6.3369 -6.0726 -6.0721 -5.9629 -5.9545 -0.7797 -0.7754 1.3081 1.3222 1.3760 1.3988 1.4896 1.5369 1.5755 1.6386 1.7832 1.8588 1.9583 2.0625 2.3010 2.3551 2.4486 2.4814 2.6922 2.6989 2.8321 2.9928 3.0389 3.1154 3.1291 3.1923 3.5102 3.5501 3.6181 3.6936 3.7697 3.8258 4.1629 4.3207 4.3813 4.3929 5.1080 5.1253 5.1500 5.2147 5.6954 5.7217 5.9555 6.0221 6.3421 6.3652 6.5954 6.5979 6.9657 6.9733 7.1565 7.1753 7.2541 7.2568 8.4225 8.4242 9.5214 9.5459 9.7524 9.8612 9.9108 10.0358 11.2470 11.2941 k = 0.3821 0.5295 0.1981 ( 6828 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5737 -6.5696 -6.3309 -6.3283 -6.0888 -6.0882 -5.9623 -5.9534 -0.7671 -0.7626 1.3134 1.3347 1.3802 1.3951 1.4790 1.5355 1.5787 1.6394 1.7721 1.8499 1.9620 2.0710 2.2979 2.3404 2.4421 2.4456 2.6589 2.6677 2.8273 2.9675 3.0379 3.1184 3.1270 3.1949 3.5053 3.5640 3.6104 3.7025 3.7700 3.8107 4.1851 4.3558 4.4126 4.4356 5.1071 5.1255 5.1427 5.2104 5.6544 5.6832 5.9383 6.0097 6.3647 6.3905 6.6024 6.6050 6.9571 6.9627 7.1667 7.1882 7.2604 7.2661 8.4052 8.4065 9.5371 9.5573 9.8038 9.9304 9.9777 10.1161 11.3039 11.3508 k = 0.3730 0.5418 0.2134 ( 6826 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5677 -6.5634 -6.3220 -6.3193 -6.1055 -6.1047 -5.9616 -5.9521 -0.7540 -0.7494 1.3168 1.3475 1.3862 1.3908 1.4693 1.5350 1.5834 1.6421 1.7616 1.8404 1.9661 2.0790 2.2944 2.3216 2.4066 2.4367 2.6249 2.6342 2.8233 2.9411 3.0394 3.1213 3.1241 3.1975 3.4992 3.5802 3.6018 3.7095 3.7730 3.7956 4.2085 4.3905 4.4464 4.4801 5.1031 5.1273 5.1370 5.2021 5.6147 5.6461 5.9199 5.9958 6.3875 6.4158 6.6097 6.6121 6.9492 6.9528 7.1774 7.2012 7.2667 7.2749 8.3871 8.3880 9.5514 9.5683 9.8571 9.9879 10.0614 10.2015 11.3612 11.4072 k = 0.3639 0.5540 0.2286 ( 6832 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5619 -6.5575 -6.3126 -6.3097 -6.1223 -6.1214 -5.9609 -5.9509 -0.7404 -0.7358 1.3186 1.3601 1.3862 1.3937 1.4606 1.5359 1.5892 1.6465 1.7523 1.8304 1.9702 2.0866 2.2898 2.2990 2.3665 2.4323 2.5902 2.5994 2.8180 2.9143 3.0437 3.1204 3.1239 3.1998 3.4910 3.5943 3.5982 3.7133 3.7780 3.7822 4.2331 4.4235 4.4837 4.5264 5.0925 5.1306 5.1363 5.1895 5.5776 5.6109 5.9003 5.9803 6.4104 6.4408 6.6173 6.6191 6.9423 6.9438 7.1882 7.2138 7.2729 7.2831 8.3684 8.3688 9.5651 9.5796 9.9108 10.0402 10.1538 10.2912 11.4178 11.4622 k = 0.3549 0.5663 0.2439 ( 6828 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5566 -6.5520 -6.3028 -6.2997 -6.1389 -6.1378 -5.9601 -5.9496 -0.7265 -0.7220 1.3193 1.3718 1.3821 1.4016 1.4531 1.5385 1.5956 1.6530 1.7448 1.8199 1.9744 2.0934 2.2735 2.2813 2.3291 2.4285 2.5554 2.5641 2.8102 2.8874 3.0504 3.1157 3.1261 3.2018 3.4796 3.5899 3.6173 3.7118 3.7730 3.7844 4.2588 4.4543 4.5246 4.5741 5.0752 5.1345 5.1406 5.1726 5.5440 5.5785 5.8795 5.9633 6.4333 6.4651 6.6252 6.6262 6.9358 6.9366 7.1987 7.2256 7.2789 7.2906 8.3494 8.3495 9.5787 9.5914 9.9639 10.0900 10.2502 10.3842 11.4728 11.5148 k = 0.3458 0.5785 0.2591 ( 6826 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5520 -6.5474 -6.2925 -6.2893 -6.1550 -6.1538 -5.9593 -5.9484 -0.7124 -0.7080 1.3194 1.3741 1.3866 1.4094 1.4471 1.5430 1.6016 1.6617 1.7403 1.8092 1.9783 2.0995 2.2456 2.2587 2.3053 2.4252 2.5207 2.5287 2.7996 2.8603 3.0591 3.1104 3.1277 3.2034 3.4650 3.5893 3.6369 3.7034 3.7701 3.7916 4.2855 4.4826 4.5686 4.6233 5.0530 5.1318 5.1481 5.1583 5.5147 5.5490 5.8576 5.9450 6.4559 6.4883 6.6332 6.6335 6.9291 6.9321 7.2085 7.2358 7.2846 7.2972 8.3301 8.3308 9.5925 9.6039 10.0157 10.1378 10.3483 10.4796 11.5251 11.5640 k = 0.3367 0.5908 0.2743 ( 6838 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5070 -14.5069 -6.5485 -6.5440 -6.2819 -6.2785 -6.1703 -6.1688 -5.9584 -5.9471 -0.6983 -0.6940 1.3193 1.3698 1.3966 1.4163 1.4432 1.5493 1.6062 1.6727 1.7398 1.7984 1.9819 2.1046 2.2160 2.2214 2.2960 2.4218 2.4865 2.4939 2.7862 2.8334 3.0684 3.1049 3.1287 3.2048 3.4477 3.5924 3.6549 3.6907 3.7723 3.7994 4.3132 4.5085 4.6149 4.6734 5.0275 5.1084 5.1578 5.1606 5.4899 5.5226 5.8345 5.9253 6.4782 6.5101 6.6399 6.6421 6.9237 6.9289 7.2171 7.2439 7.2900 7.3026 8.3116 8.3127 9.6068 9.6171 10.0656 10.1833 10.4466 10.5759 11.5737 11.6089 k = 0.3276 0.6030 0.2896 ( 6828 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5069 -14.5069 -6.5464 -6.5419 -6.2709 -6.2673 -6.1843 -6.1824 -5.9575 -5.9458 -0.6841 -0.6801 1.3192 1.3653 1.4044 1.4224 1.4426 1.5573 1.6082 1.6861 1.7447 1.7877 1.9850 2.1086 2.1803 2.1854 2.2906 2.4177 2.4539 2.4607 2.7703 2.8064 3.0754 3.1017 3.1290 3.2062 3.4286 3.5986 3.6607 3.6867 3.7774 3.8076 4.3417 4.5316 4.6629 4.7243 5.0005 5.0747 5.1693 5.1702 5.4692 5.4992 5.8104 5.9044 6.5000 6.5303 6.6463 6.6510 6.9198 6.9271 7.2241 7.2492 7.2948 7.3068 8.2944 8.2958 9.6218 9.6311 10.1132 10.2261 10.5433 10.6716 11.6175 11.6486 k = 0.3186 0.6153 0.3048 ( 6826 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5461 -6.5418 -6.2595 -6.2559 -6.1966 -6.1943 -5.9565 -5.9445 -0.6702 -0.6664 1.3193 1.3614 1.4082 1.4277 1.4465 1.5665 1.6071 1.7013 1.7553 1.7779 1.9872 2.1099 2.1405 2.1544 2.2847 2.4079 2.4281 2.4300 2.7522 2.7794 3.0748 3.1058 3.1285 3.2076 3.4087 3.6069 3.6459 3.7008 3.7839 3.8161 4.3706 4.5507 4.7119 4.7756 4.9742 5.0367 5.1820 5.1821 5.4518 5.4782 5.7853 5.8821 6.5212 6.5486 6.6523 6.6602 6.9175 6.9270 7.2289 7.2515 7.2987 7.3098 8.2790 8.2806 9.6373 9.6460 10.1581 10.2660 10.6364 10.7647 11.6557 11.6825 k = 0.3186 0.6153 0.3048 ( 6826 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5461 -6.5418 -6.2595 -6.2559 -6.1966 -6.1943 -5.9565 -5.9445 -0.6702 -0.6664 1.3193 1.3614 1.4082 1.4277 1.4465 1.5665 1.6071 1.7013 1.7553 1.7779 1.9872 2.1099 2.1405 2.1544 2.2847 2.4079 2.4281 2.4300 2.7522 2.7794 3.0748 3.1058 3.1285 3.2076 3.4087 3.6069 3.6459 3.7008 3.7839 3.8161 4.3706 4.5507 4.7119 4.7756 4.9742 5.0367 5.1820 5.1821 5.4518 5.4782 5.7853 5.8821 6.5212 6.5486 6.6523 6.6602 6.9175 6.9270 7.2289 7.2515 7.2987 7.3098 8.2790 8.2806 9.6373 9.6460 10.1581 10.2660 10.6364 10.7647 11.6557 11.6825 k = 0.2998 0.6098 0.3116 ( 6823 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5474 -6.5432 -6.2547 -6.2510 -6.2003 -6.1974 -5.9563 -5.9440 -0.6638 -0.6602 1.3198 1.3602 1.4087 1.4300 1.4500 1.5709 1.6057 1.7087 1.7599 1.7761 1.9877 2.1020 2.1257 2.1418 2.2816 2.3986 2.4135 2.4267 2.7431 2.7682 3.0715 3.1082 3.1293 3.2087 3.4003 3.6095 3.6401 3.7079 3.7863 3.8192 4.3842 4.5573 4.7335 4.7984 4.9641 5.0202 5.1840 5.1909 5.4450 5.4698 5.7733 5.8711 6.5309 6.5567 6.6549 6.6643 6.9171 6.9276 7.2253 7.2486 7.3013 7.3168 8.2723 8.2738 9.6467 9.6556 10.1775 10.2829 10.6753 10.8036 11.6665 11.6902 k = 0.2811 0.6044 0.3184 ( 6823 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5503 -6.5463 -6.2518 -6.2482 -6.2003 -6.1959 -5.9563 -5.9439 -0.6572 -0.6537 1.3211 1.3598 1.4090 1.4326 1.4546 1.5756 1.6036 1.7164 1.7595 1.7813 1.9877 2.0780 2.1151 2.1332 2.2782 2.3882 2.3995 2.4266 2.7327 2.7588 3.0662 3.1051 3.1355 3.2111 3.3932 3.6068 3.6409 3.7142 3.7873 3.8208 4.3991 4.5627 4.7544 4.8210 4.9563 5.0061 5.1853 5.1984 5.4391 5.4623 5.7598 5.8583 6.5415 6.5658 6.6577 6.6683 6.9174 6.9288 7.2147 7.2400 7.3082 7.3286 8.2650 8.2667 9.6606 9.6708 10.1974 10.2994 10.7112 10.8387 11.6698 11.6895 k = 0.2624 0.5989 0.3252 ( 6825 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5545 -6.5507 -6.2521 -6.2485 -6.1953 -6.1895 -5.9566 -5.9441 -0.6503 -0.6470 1.3232 1.3602 1.4093 1.4353 1.4601 1.5798 1.6015 1.7231 1.7580 1.7908 1.9870 2.0471 2.0984 2.1310 2.2741 2.3779 2.3876 2.4270 2.7215 2.7511 3.0593 3.0968 3.1466 3.2151 3.3875 3.5998 3.6464 3.7195 3.7868 3.8207 4.4150 4.5671 4.7747 4.8434 4.9509 4.9947 5.1859 5.2045 5.4341 5.4557 5.7448 5.8437 6.5530 6.5759 6.6606 6.6721 6.9181 6.9303 7.2015 7.2277 7.3168 7.3401 8.2577 8.2596 9.6792 9.6910 10.2178 10.3160 10.7441 10.8700 11.6690 11.6855 k = 0.2436 0.5935 0.3319 ( 6834 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5594 -6.5559 -6.2551 -6.2517 -6.1860 -6.1793 -5.9573 -5.9447 -0.6433 -0.6402 1.3262 1.3614 1.4096 1.4382 1.4661 1.5824 1.6004 1.7258 1.7609 1.8021 1.9853 2.0137 2.0771 2.1310 2.2687 2.3681 2.3777 2.4272 2.7101 2.7446 3.0509 3.0856 3.1603 3.2208 3.3833 3.5915 3.6533 3.7235 3.7848 3.8191 4.4316 4.5705 4.7947 4.8658 4.9479 4.9864 5.1858 5.2091 5.4303 5.4502 5.7282 5.8271 6.5654 6.5872 6.6636 6.6759 6.9191 6.9322 7.1873 7.2138 7.3243 7.3496 8.2507 8.2531 9.7022 9.7159 10.2390 10.3328 10.7736 10.8971 11.6666 11.6814 k = 0.2249 0.5881 0.3387 ( 6832 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5649 -6.5616 -6.2594 -6.2563 -6.1741 -6.1666 -5.9584 -5.9457 -0.6362 -0.6332 1.3301 1.3633 1.4103 1.4413 1.4726 1.5819 1.6020 1.7235 1.7696 1.8144 1.9745 1.9866 2.0538 2.1315 2.2618 2.3588 2.3699 2.4273 2.6992 2.7390 3.0413 3.0727 3.1754 3.2284 3.3809 3.5833 3.6599 3.7263 3.7813 3.8158 4.4481 4.5731 4.8148 4.8877 4.9474 4.9815 5.1852 5.2122 5.4274 5.4455 5.7101 5.8085 6.5788 6.5995 6.6668 6.6798 6.9203 6.9343 7.1727 7.1991 7.3292 7.3561 8.2446 8.2476 9.7295 9.7449 10.2611 10.3500 10.7999 10.9200 11.6642 11.6784 k = 0.2061 0.5826 0.3455 ( 6835 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5706 -6.5676 -6.2643 -6.2616 -6.1608 -6.1527 -5.9600 -5.9472 -0.6291 -0.6264 1.3350 1.3659 1.4112 1.4444 1.4792 1.5786 1.6058 1.7183 1.7823 1.8273 1.9409 1.9792 2.0309 2.1323 2.2528 2.3498 2.3640 2.4269 2.6893 2.7338 3.0307 3.0589 3.1913 3.2375 3.3802 3.5754 3.6654 3.7280 3.7765 3.8111 4.4641 4.5748 4.8350 4.9081 4.9500 4.9806 5.1843 5.2143 5.4256 5.4417 5.6904 5.7878 6.5929 6.6129 6.6700 6.6839 6.9218 6.9365 7.1579 7.1840 7.3306 7.3592 8.2398 8.2433 9.7606 9.7774 10.2840 10.3677 10.8230 10.9389 11.6625 11.6767 k = 0.1874 0.5772 0.3523 ( 6839 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5764 -6.5736 -6.2694 -6.2669 -6.1468 -6.1383 -5.9620 -5.9491 -0.6222 -0.6196 1.3409 1.3691 1.4124 1.4476 1.4859 1.5737 1.6106 1.7120 1.7969 1.8406 1.9057 1.9679 2.0127 2.1335 2.2417 2.3409 2.3601 2.4261 2.6807 2.7288 3.0196 3.0447 3.2075 3.2480 3.3815 3.5681 3.6695 3.7286 3.7703 3.8050 4.4791 4.5757 4.8555 4.9239 4.9570 4.9849 5.1834 5.2155 5.4246 5.4384 5.6692 5.7652 6.6074 6.6272 6.6734 6.6885 6.9234 6.9390 7.1432 7.1685 7.3287 7.3588 8.2364 8.2405 9.7947 9.8126 10.3078 10.3859 10.8433 10.9541 11.6617 11.6764 k = 0.1687 0.5717 0.3590 ( 6835 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5819 -6.5794 -6.2742 -6.2721 -6.1326 -6.1236 -5.9646 -5.9516 -0.6155 -0.6131 1.3479 1.3730 1.4137 1.4510 1.4925 1.5679 1.6156 1.7055 1.8117 1.8541 1.8718 1.9493 2.0020 2.1352 2.2284 2.3318 2.3579 2.4246 2.6736 2.7240 3.0081 3.0304 3.2237 3.2593 3.3848 3.5613 3.6720 3.7285 3.7632 3.7976 4.4926 4.5760 4.8761 4.9330 4.9680 4.9967 5.1828 5.2164 5.4243 5.4355 5.6466 5.7407 6.6218 6.6422 6.6767 6.6943 6.9252 6.9416 7.1285 7.1527 7.3237 7.3550 8.2347 8.2392 9.8312 9.8496 10.3323 10.4044 10.8611 10.9657 11.6616 11.6770 k = 0.1499 0.5663 0.3658 ( 6834 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5872 -6.5849 -6.2788 -6.2769 -6.1185 -6.1091 -5.9676 -5.9547 -0.6091 -0.6070 1.3558 1.3773 1.4151 1.4545 1.4987 1.5615 1.6202 1.6992 1.8209 1.8432 1.8685 1.9279 1.9961 2.1376 2.2133 2.3221 2.3573 2.4225 2.6682 2.7193 2.9969 3.0166 3.2394 3.2708 3.3902 3.5552 3.6729 3.7279 3.7551 3.7894 4.5044 4.5755 4.8957 4.9381 4.9797 5.0163 5.1831 5.2175 5.4246 5.4329 5.6229 5.7144 6.6352 6.6579 6.6799 6.7017 6.9272 6.9444 7.1139 7.1364 7.3160 7.3479 8.2344 8.2392 9.8692 9.8875 10.3572 10.4229 10.8768 10.9742 11.6618 11.6781 k = 0.1312 0.5608 0.3726 ( 6846 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5920 -6.5900 -6.2829 -6.2813 -6.1047 -6.0949 -5.9712 -5.9584 -0.6032 -0.6012 1.3647 1.3822 1.4164 1.4582 1.5043 1.5548 1.6242 1.6938 1.8015 1.8402 1.8830 1.9108 1.9919 2.1404 2.1970 2.3116 2.3580 2.4197 2.6645 2.7145 2.9861 3.0034 3.2542 3.2820 3.3979 3.5494 3.6722 3.7270 3.7464 3.7807 4.5145 4.5744 4.9129 4.9416 4.9932 5.0393 5.1847 5.2196 5.4250 5.4305 5.5984 5.6864 6.6467 6.6728 6.6842 6.7113 6.9295 6.9475 7.0992 7.1196 7.3067 7.3383 8.2355 8.2404 9.9075 9.9252 10.3820 10.4411 10.8908 10.9800 11.6620 11.6791 k = 0.1124 0.5554 0.3794 ( 6837 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5138 -14.5069 -14.5069 -6.5963 -6.5946 -6.2866 -6.2852 -6.0914 -6.0813 -5.9753 -5.9626 -0.5977 -0.5961 1.3744 1.3876 1.4173 1.4621 1.5089 1.5479 1.6272 1.6899 1.7739 1.8355 1.8984 1.9065 1.9880 2.1428 2.1811 2.3002 2.3600 2.4162 2.6625 2.7096 2.9762 2.9913 3.2680 3.2921 3.4078 3.5440 3.6704 3.7259 3.7374 3.7720 4.5232 4.5729 4.9265 4.9446 5.0101 5.0619 5.1884 5.2235 5.4248 5.4285 5.5738 5.6573 6.6560 6.6807 6.6955 6.7228 6.9324 6.9511 7.0846 7.1021 7.2966 7.3269 8.2377 8.2423 9.9449 9.9615 10.4062 10.4583 10.9036 10.9834 11.6618 11.6795 k = 0.0937 0.5499 0.3862 ( 6841 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.6000 -6.5986 -6.2897 -6.2886 -6.0786 -6.0684 -5.9799 -5.9675 -0.5930 -0.5915 1.3840 1.3942 1.4178 1.4660 1.5119 1.5410 1.6292 1.6876 1.7488 1.8199 1.9090 1.9201 1.9840 2.1393 2.1712 2.2878 2.3628 2.4122 2.6621 2.7045 2.9675 2.9803 3.2803 3.3007 3.4198 3.5384 3.6679 3.7227 3.7303 3.7638 4.5306 4.5708 4.9361 4.9471 5.0299 5.0812 5.1949 5.2301 5.4227 5.4281 5.5500 5.6273 6.6632 6.6830 6.7118 6.7355 6.9362 6.9553 7.0700 7.0838 7.2867 7.3145 8.2404 8.2446 9.9802 9.9950 10.4292 10.4738 10.9155 10.9848 11.6608 11.6786 k = 0.0750 0.5445 0.3929 ( 6857 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.6031 -6.6020 -6.2923 -6.2914 -6.0667 -6.0565 -5.9849 -5.9730 -0.5889 -0.5877 1.3918 1.4034 1.4177 1.4695 1.5126 1.5348 1.6305 1.6861 1.7285 1.8005 1.9186 1.9408 1.9794 2.1246 2.1729 2.2746 2.3664 2.4075 2.6632 2.6993 2.9602 2.9707 3.2911 3.3076 3.4334 3.5322 3.6656 3.7139 3.7286 3.7563 4.5369 4.5684 4.9426 4.9492 5.0503 5.0954 5.2045 5.2399 5.4191 5.4283 5.5284 5.5971 6.6687 6.6840 6.7282 6.7481 6.9412 6.9602 7.0554 7.0650 7.2781 7.3021 8.2434 8.2470 10.0120 10.0245 10.4504 10.4870 10.9269 10.9844 11.6589 11.6759 k = 0.0562 0.5390 0.3997 ( 6855 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.6056 -6.6047 -6.2944 -6.2937 -6.0556 -6.0458 -5.9901 -5.9789 -0.5856 -0.5847 1.3978 1.4151 1.4170 1.4715 1.5115 1.5296 1.6323 1.6818 1.7168 1.7811 1.9284 1.9633 1.9743 2.1043 2.1809 2.2607 2.3707 2.4024 2.6656 2.6939 2.9548 2.9628 3.3001 3.3125 3.4481 3.5249 3.6645 3.7033 3.7292 3.7498 4.5424 4.5656 4.9470 4.9509 5.0691 5.1039 5.2171 5.2516 5.4151 5.4280 5.5110 5.5678 6.6731 6.6842 6.7433 6.7590 6.9479 6.9661 7.0410 7.0461 7.2714 7.2906 8.2463 8.2491 10.0388 10.0487 10.4690 10.4971 10.9379 10.9823 11.6566 11.6714 k = 0.0375 0.5336 0.4065 ( 6866 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.6073 -6.6067 -6.2958 -6.2953 -6.0458 -6.0372 -5.9946 -5.9852 -0.5832 -0.5826 1.4026 1.4154 1.4280 1.4699 1.5104 1.5250 1.6357 1.6718 1.7165 1.7632 1.9378 1.9684 1.9867 2.0819 2.1917 2.2464 2.3755 2.3971 2.6690 2.6885 2.9511 2.9566 3.3071 3.3154 3.4633 3.5159 3.6655 3.6928 3.7306 3.7443 4.5472 4.5625 4.9499 4.9520 5.0846 5.1076 5.2317 5.2614 5.4123 5.4262 5.4999 5.5408 6.6765 6.6838 6.7560 6.7671 6.9567 6.9727 7.0273 7.0280 7.2674 7.2807 8.2487 8.2507 10.0596 10.0664 10.4843 10.5034 10.9483 10.9786 11.6545 11.6656 k = 0.0187 0.5281 0.4133 ( 6870 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.6082 -6.6080 -6.2966 -6.2964 -6.0376 -6.0321 -5.9972 -5.9912 -0.5816 -0.5813 1.4068 1.4132 1.4410 1.4636 1.5118 1.5202 1.6414 1.6601 1.7232 1.7473 1.9466 1.9619 2.0106 2.0585 2.2042 2.2320 2.3807 2.3916 2.6732 2.6832 2.9495 2.9522 3.3122 3.3163 3.4783 3.5051 3.6689 3.6831 3.7329 3.7396 4.5516 4.5592 4.9516 4.9526 5.0960 5.1073 5.2467 5.2646 5.4128 5.4225 5.4971 5.5185 6.6793 6.6829 6.7654 6.7711 6.9673 6.9784 7.0129 7.0155 7.2662 7.2730 8.2505 8.2515 10.0732 10.0767 10.4958 10.5054 10.9579 10.9732 11.6538 11.6598 k = 0.0000 0.5227 0.4200 ( 6866 PWs) bands (ev): -15.5567 -15.5567 -15.5510 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.6085 -6.6085 -6.2968 -6.2968 -6.0324 -6.0324 -5.9959 -5.9959 -0.5810 -0.5810 1.4103 1.4103 1.4534 1.4534 1.5156 1.5156 1.6496 1.6496 1.7339 1.7339 1.9546 1.9546 2.0346 2.0346 2.2178 2.2178 2.3861 2.3861 2.6780 2.6780 2.9498 2.9498 3.3153 3.3153 3.4924 3.4924 3.6749 3.6749 3.7359 3.7359 4.5555 4.5555 4.9525 4.9525 5.1035 5.1035 5.2590 5.2590 5.4171 5.4171 5.5033 5.5033 6.6814 6.6814 6.7706 6.7706 6.9771 6.9771 7.0082 7.0082 7.2681 7.2681 8.2514 8.2514 10.0790 10.0790 10.5029 10.5029 10.9663 10.9663 11.6556 11.6556 k = 0.0000 0.5227 0.4200 ( 6866 PWs) bands (ev): -15.5567 -15.5567 -15.5510 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.6085 -6.6085 -6.2968 -6.2968 -6.0324 -6.0324 -5.9959 -5.9959 -0.5810 -0.5810 1.4103 1.4103 1.4534 1.4534 1.5156 1.5156 1.6496 1.6496 1.7339 1.7339 1.9546 1.9546 2.0346 2.0346 2.2178 2.2178 2.3861 2.3861 2.6780 2.6780 2.9498 2.9498 3.3153 3.3153 3.4924 3.4924 3.6749 3.6749 3.7359 3.7359 4.5555 4.5555 4.9525 4.9525 5.1035 5.1035 5.2590 5.2590 5.4171 5.4171 5.5033 5.5033 6.6814 6.6814 6.7706 6.7706 6.9771 6.9771 7.0082 7.0082 7.2681 7.2681 8.2514 8.2514 10.0790 10.0790 10.5029 10.5029 10.9663 10.9663 11.6556 11.6556 k = 0.0089 0.5106 0.4350 ( 6864 PWs) bands (ev): -15.5567 -15.5567 -15.5510 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.6082 -6.6082 -6.2967 -6.2964 -6.0327 -6.0326 -5.9962 -5.9959 -0.5816 -0.5811 1.4068 1.4129 1.4532 1.4537 1.5140 1.5170 1.6491 1.6498 1.7331 1.7340 1.9487 1.9596 2.0342 2.0357 2.2171 2.2204 2.3854 2.3876 2.6708 2.6857 2.9437 2.9484 3.3099 3.3196 3.4906 3.4950 3.6747 3.6779 3.7364 3.7391 4.5479 4.5627 4.9200 4.9609 5.1035 5.1260 5.2538 5.2691 5.4130 5.4167 5.5029 5.5113 6.6777 6.6842 6.7680 6.7750 6.9774 6.9782 7.0087 7.0089 7.2671 7.2672 8.2490 8.2500 10.0748 10.0834 10.5017 10.5049 10.9615 10.9663 11.6552 11.6574 k = 0.0179 0.4986 0.4500 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.6073 -6.6073 -6.2960 -6.2955 -6.0335 -6.0335 -5.9970 -5.9964 -0.5830 -0.5819 1.4024 1.4142 1.4532 1.4540 1.5124 1.5184 1.6483 1.6495 1.7316 1.7332 1.9421 1.9638 2.0345 2.0371 2.2183 2.2251 2.3856 2.3900 2.6642 2.6938 2.9305 2.9397 3.3040 3.3219 3.4899 3.4978 3.6773 3.6835 3.7406 3.7463 4.5397 4.5693 4.8786 4.9407 5.1319 5.1542 5.2527 5.2858 5.4060 5.4124 5.5099 5.5250 6.6736 6.6860 6.7675 6.7808 6.9792 6.9809 7.0106 7.0109 7.2640 7.2644 8.2428 8.2448 10.0708 10.0880 10.5012 10.5077 10.9520 10.9617 11.6561 11.6606 k = 0.0268 0.4865 0.4650 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.6059 -6.6058 -6.2949 -6.2940 -6.0349 -6.0348 -5.9982 -5.9973 -0.5851 -0.5835 1.3974 1.4140 1.4536 1.4540 1.5108 1.5197 1.6473 1.6489 1.7293 1.7318 1.9349 1.9673 2.0358 2.0387 2.2209 2.2316 2.3867 2.3933 2.6581 2.7022 2.9116 2.9247 3.2972 3.3213 3.4899 3.4996 3.6830 3.6917 3.7485 3.7577 4.5313 4.5754 4.8351 4.9066 5.1732 5.1792 5.2561 5.3097 5.3982 5.4073 5.5221 5.5423 6.6692 6.6867 6.7691 6.7873 6.9824 6.9855 7.0137 7.0142 7.2590 7.2597 8.2330 8.2359 10.0669 10.0929 10.5014 10.5114 10.9380 10.9525 11.6580 11.6648 k = 0.0357 0.4745 0.4800 ( 6850 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.6038 -6.6038 -6.2932 -6.2921 -6.0368 -6.0367 -5.9998 -5.9986 -0.5879 -0.5857 1.3920 1.4125 1.4536 1.4541 1.5092 1.5210 1.6461 1.6479 1.7265 1.7295 1.9277 1.9701 2.0380 2.0404 2.2248 2.2398 2.3886 2.3974 2.6525 2.7106 2.8883 2.9051 3.2890 3.3169 3.4897 3.4993 3.6919 3.7026 3.7603 3.7735 4.5227 4.5811 4.7919 4.8681 5.1987 5.2132 5.2686 5.3370 5.3907 5.4072 5.5375 5.5616 6.6649 6.6865 6.7725 6.7939 6.9871 6.9923 7.0181 7.0189 7.2518 7.2531 8.2198 8.2234 10.0630 10.0980 10.5021 10.5159 10.9198 10.9392 11.6601 11.6694 k = 0.0446 0.4624 0.4950 ( 6850 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.6012 -6.6012 -6.2910 -6.2896 -6.0392 -6.0392 -6.0018 -6.0003 -0.5913 -0.5887 1.3862 1.4097 1.4526 1.4544 1.5079 1.5225 1.6449 1.6465 1.7232 1.7266 1.9208 1.9726 2.0409 2.0422 2.2295 2.2491 2.3914 2.4022 2.6471 2.7187 2.8624 2.8826 3.2789 3.3085 3.4883 3.4960 3.7040 3.7163 3.7760 3.7937 4.5141 4.5862 4.7500 4.8286 5.2139 5.2374 5.3005 5.3552 5.3848 5.4231 5.5549 5.5821 6.6608 6.6858 6.7772 6.8004 6.9933 7.0013 7.0237 7.0251 7.2427 7.2447 8.2035 8.2078 10.0591 10.1033 10.5031 10.5210 10.8979 10.9219 11.6617 11.6736 k = 0.0536 0.4504 0.5100 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.5981 -6.5980 -6.2884 -6.2867 -6.0422 -6.0421 -6.0042 -6.0024 -0.5953 -0.5922 1.3802 1.4058 1.4508 1.4540 1.5070 1.5240 1.6435 1.6448 1.7195 1.7230 1.9145 1.9748 2.0440 2.0446 2.2347 2.2592 2.3949 2.4077 2.6418 2.7258 2.8356 2.8592 3.2666 3.2963 3.4849 3.4893 3.7188 3.7326 3.7954 3.8176 4.5058 4.5907 4.7101 4.7894 5.2266 5.2494 5.3431 5.3590 5.3844 5.4582 5.5738 5.6032 6.6569 6.6849 6.7826 6.8064 7.0011 7.0123 7.0307 7.0331 7.2315 7.2348 8.1845 8.1892 10.0550 10.1089 10.5042 10.5268 10.8729 10.9013 11.6621 11.6765 k = 0.0625 0.4383 0.5250 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.5945 -6.5944 -6.2852 -6.2832 -6.0457 -6.0455 -6.0070 -6.0050 -0.5999 -0.5964 1.3741 1.4011 1.4480 1.4524 1.5069 1.5260 1.6420 1.6428 1.7155 1.7190 1.9094 1.9769 2.0459 2.0488 2.2404 2.2695 2.3990 2.4136 2.6362 2.7303 2.8105 2.8363 3.2518 3.2806 3.4791 3.4792 3.7360 3.7514 3.8182 3.8447 4.4979 4.5942 4.6730 4.7513 5.2381 5.2587 5.3577 5.3630 5.4126 5.5012 5.5942 5.6245 6.6532 6.6839 6.7884 6.8120 7.0104 7.0247 7.0391 7.0437 7.2184 7.2234 8.1630 8.1682 10.0506 10.1145 10.5049 10.5330 10.8456 10.8780 11.6604 11.6775 k = 0.0714 0.4263 0.5400 ( 6860 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.5904 -6.5903 -6.2816 -6.2793 -6.0496 -6.0495 -6.0102 -6.0079 -0.6049 -0.6010 1.3679 1.3956 1.4442 1.4494 1.5078 1.5283 1.6405 1.6406 1.7114 1.7145 1.9055 1.9791 2.0478 2.0533 2.2463 2.2797 2.4037 2.4196 2.6302 2.7281 2.7919 2.8155 3.2347 3.2621 3.4660 3.4707 3.7551 3.7726 3.8435 3.8739 4.4906 4.5943 4.6410 4.7147 5.2492 5.2682 5.3563 5.3635 5.4628 5.5443 5.6175 5.6457 6.6497 6.6829 6.7944 6.8173 7.0206 7.0370 7.0490 7.0578 7.2034 7.2110 8.1396 8.1449 10.0458 10.1200 10.5048 10.5396 10.8171 10.8525 11.6562 11.6758 k = 0.0804 0.4142 0.5551 ( 6860 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.5858 -6.5856 -6.2775 -6.2749 -6.0539 -6.0538 -6.0138 -6.0112 -0.6103 -0.6062 1.3617 1.3897 1.4393 1.4448 1.5097 1.5309 1.6381 1.6387 1.7073 1.7099 1.9031 1.9816 2.0496 2.0579 2.2524 2.2894 2.4086 2.4252 2.6237 2.7146 2.7849 2.7981 3.2155 3.2412 3.4500 3.4600 3.7757 3.7958 3.8707 3.9043 4.4838 4.5829 4.6224 4.6798 5.2603 5.2783 5.3562 5.3627 5.5153 5.5819 5.6467 5.6666 6.6463 6.6820 6.8007 6.8226 7.0310 7.0488 7.0605 7.0754 7.1869 7.1983 8.1146 8.1199 10.0405 10.1253 10.5033 10.5463 10.7884 10.8256 11.6493 11.6712 k = 0.0893 0.4022 0.5701 ( 6858 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5465 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.5807 -6.5806 -6.2729 -6.2701 -6.0587 -6.0586 -6.0178 -6.0149 -0.6160 -0.6117 1.3557 1.3834 1.4334 1.4388 1.5125 1.5340 1.6355 1.6367 1.7032 1.7054 1.9024 1.9844 2.0513 2.0625 2.2585 2.2985 2.4137 2.4297 2.6170 2.6933 2.7847 2.7869 3.1945 3.2183 3.4317 3.4471 3.7976 3.8207 3.8991 3.9352 4.4774 4.5579 4.6191 4.6471 5.2715 5.2893 5.3582 5.3631 5.5668 5.6099 5.6847 5.6874 6.6429 6.6810 6.8076 6.8282 7.0403 7.0603 7.0734 7.0952 7.1697 7.1865 8.0885 8.0936 10.0345 10.1300 10.4999 10.5528 10.7609 10.7981 11.6400 11.6640 k = 0.0982 0.3901 0.5851 ( 6854 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5465 -14.5138 -14.5138 -14.5069 -14.5069 -6.5753 -6.5752 -6.2680 -6.2649 -6.0639 -6.0638 -6.0222 -6.0190 -0.6221 -0.6175 1.3497 1.3769 1.4265 1.4316 1.5158 1.5373 1.6328 1.6343 1.6994 1.7012 1.9032 1.9876 2.0527 2.0668 2.2646 2.3067 2.4186 2.4323 2.6109 2.6699 2.7756 2.7924 3.1719 3.1941 3.4117 3.4323 3.8204 3.8470 3.9280 3.9660 4.4710 4.5300 4.6170 4.6201 5.2830 5.3010 5.3625 5.3650 5.6151 5.6299 5.7093 5.7288 6.6396 6.6797 6.8154 6.8346 7.0466 7.0711 7.0871 7.1138 7.1551 7.1778 8.0615 8.0663 10.0275 10.1336 10.4940 10.5590 10.7360 10.7708 11.6290 11.6546 k = 0.1071 0.3780 0.6001 ( 6852 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5696 -6.5694 -6.2626 -6.2593 -6.0694 -6.0692 -6.0269 -6.0234 -0.6282 -0.6236 1.3440 1.3702 1.4188 1.4237 1.5196 1.5406 1.6302 1.6314 1.6958 1.6974 1.9055 1.9912 2.0537 2.0707 2.2707 2.3141 2.4228 2.4321 2.6066 2.6475 2.7706 2.7989 3.1480 3.1690 3.3903 3.4157 3.8439 3.8744 3.9569 3.9960 4.4638 4.5031 4.5901 4.6213 5.2951 5.3133 5.3689 5.3691 5.6450 5.6569 5.7348 5.7750 6.6362 6.6780 6.8244 6.8421 7.0476 7.0788 7.1009 7.1194 7.1567 7.1750 8.0341 8.0384 10.0196 10.1357 10.4853 10.5645 10.7146 10.7444 11.6171 11.6439 k = 0.1161 0.3660 0.6151 ( 6840 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5635 -6.5634 -6.2568 -6.2533 -6.0751 -6.0750 -6.0319 -6.0282 -0.6345 -0.6298 1.3386 1.3634 1.4104 1.4152 1.5235 1.5440 1.6278 1.6280 1.6924 1.6942 1.9094 1.9952 2.0543 2.0739 2.2768 2.3207 2.4260 2.4289 2.6049 2.6274 2.7691 2.8055 3.1234 3.1438 3.3679 3.3978 3.8678 3.9024 3.9856 4.0250 4.4549 4.4780 4.5672 4.6219 5.3078 5.3260 5.3749 5.3780 5.6570 5.6881 5.7674 5.8212 6.6328 6.6757 6.8348 6.8509 7.0413 7.0750 7.1145 7.1188 7.1762 7.1802 8.0065 8.0102 10.0106 10.1354 10.4745 10.5690 10.6973 10.7198 11.6054 11.6330 k = 0.1250 0.3539 0.6301 ( 6840 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5573 -6.5571 -6.2507 -6.2469 -6.0811 -6.0810 -6.0373 -6.0334 -0.6408 -0.6361 1.3334 1.3566 1.4016 1.4065 1.5273 1.5469 1.6242 1.6257 1.6893 1.6916 1.9147 1.9996 2.0544 2.0764 2.2828 2.3263 2.4226 2.4276 2.6062 2.6108 2.7703 2.8114 3.0985 3.1189 3.3450 3.3786 3.8917 3.9306 4.0136 4.0529 4.4433 4.4548 4.5490 4.6211 5.3213 5.3389 5.3833 5.3890 5.6664 5.7084 5.8068 5.8662 6.6293 6.6728 6.8467 6.8609 7.0281 7.0574 7.1278 7.1287 7.1919 7.1994 7.9789 7.9820 10.0005 10.1321 10.4628 10.5723 10.6840 10.6975 11.5949 11.6229 k = 0.1339 0.3419 0.6451 ( 6844 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5508 -6.5507 -6.2442 -6.2402 -6.0873 -6.0872 -6.0430 -6.0389 -0.6470 -0.6424 1.3286 1.3498 1.3925 1.3977 1.5308 1.5493 1.6204 1.6242 1.6864 1.6895 1.9212 2.0044 2.0540 2.0781 2.2888 2.3311 2.4142 2.4272 2.5983 2.6101 2.7737 2.8160 3.0736 3.0953 3.3218 3.3584 3.9154 3.9586 4.0409 4.0794 4.4287 4.4339 4.5357 4.6188 5.3359 5.3519 5.3939 5.4016 5.6734 5.7214 5.8489 5.9093 6.6259 6.6692 6.8598 6.8721 7.0106 7.0345 7.1418 7.1433 7.2077 7.2229 7.9516 7.9540 9.9892 10.1248 10.4520 10.5739 10.6739 10.6782 11.5864 11.6143 k = 0.1429 0.3298 0.6601 ( 6852 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5443 -6.5441 -6.2374 -6.2332 -6.0936 -6.0935 -6.0491 -6.0447 -0.6531 -0.6486 1.3242 1.3431 1.3834 1.3892 1.5337 1.5509 1.6168 1.6235 1.6838 1.6880 1.9289 2.0093 2.0534 2.0788 2.2947 2.3351 2.4046 2.4245 2.5902 2.6157 2.7786 2.8188 3.0494 3.0737 3.2986 3.3373 3.9385 3.9860 4.0673 4.1047 4.4117 4.4150 4.5264 4.6148 5.3517 5.3650 5.4067 5.4157 5.6783 5.7297 5.8909 5.9501 6.6227 6.6651 6.8733 6.8837 6.9914 7.0108 7.1575 7.1589 7.2252 7.2455 7.9248 7.9264 9.9769 10.1131 10.4436 10.5737 10.6622 10.6661 11.5806 11.6082 k = 0.1518 0.3178 0.6751 ( 6840 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5377 -6.5375 -6.2304 -6.2259 -6.0999 -6.0998 -6.0554 -6.0509 -0.6590 -0.6546 1.3202 1.3365 1.3745 1.3812 1.5358 1.5514 1.6139 1.6236 1.6813 1.6867 1.9376 2.0142 2.0525 2.0786 2.3006 2.3383 2.3948 2.4197 2.5866 2.6222 2.7843 2.8190 3.0267 3.0551 3.2758 3.3156 3.9609 4.0124 4.0927 4.1289 4.3934 4.3984 4.5198 4.6089 5.3685 5.3783 5.4211 5.4307 5.6810 5.7345 5.9314 5.9881 6.6197 6.6607 6.8846 6.8938 6.9743 6.9893 7.1743 7.1752 7.2430 7.2667 7.8986 7.8994 9.9638 10.0971 10.4388 10.5718 10.6496 10.6597 11.5780 11.6050 k = 0.1607 0.3057 0.6901 ( 6838 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5312 -6.5310 -6.2230 -6.2184 -6.1062 -6.1061 -6.0620 -6.0573 -0.6646 -0.6605 1.3165 1.3301 1.3659 1.3736 1.5369 1.5509 1.6119 1.6247 1.6790 1.6857 1.9470 2.0189 2.0517 2.0774 2.3063 2.3407 2.3855 2.4133 2.5869 2.6290 2.7899 2.8162 3.0064 3.0404 3.2536 3.2934 3.9821 4.0373 4.1171 4.1518 4.3750 4.3841 4.5146 4.6013 5.3864 5.3920 5.4367 5.4465 5.6818 5.7362 5.9695 6.0230 6.6170 6.6560 6.8883 6.8977 6.9655 6.9752 7.1916 7.1920 7.2602 7.2858 7.8732 7.8733 9.9503 10.0774 10.4378 10.5683 10.6402 10.6543 11.5787 11.6048 k = 0.1696 0.2937 0.7051 ( 6848 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5248 -6.5247 -6.2155 -6.2107 -6.1123 -6.1122 -6.0689 -6.0641 -0.6698 -0.6660 1.3132 1.3240 1.3579 1.3666 1.5368 1.5494 1.6112 1.6266 1.6767 1.6847 1.9571 2.0229 2.0513 2.0754 2.3117 2.3421 2.3774 2.4060 2.5903 2.6356 2.7940 2.8099 2.9896 3.0303 3.2321 3.2708 4.0020 4.0602 4.1402 4.1736 4.3575 4.3719 4.5100 4.5920 5.4050 5.4063 5.4530 5.4624 5.6808 5.7353 6.0048 6.0546 6.6146 6.6511 6.8795 6.8897 6.9704 6.9746 7.2086 7.2096 7.2761 7.3027 7.8480 7.8486 9.9368 10.0550 10.4403 10.5637 10.6333 10.6493 11.5826 11.6076 k = 0.1786 0.2816 0.7201 ( 6848 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5466 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5187 -6.5186 -6.2077 -6.2027 -6.1182 -6.1181 -6.0760 -6.0711 -0.6747 -0.6711 1.3102 1.3183 1.3506 1.3603 1.5358 1.5470 1.6117 1.6292 1.6746 1.6837 1.9677 2.0259 2.0515 2.0726 2.3169 2.3426 2.3709 2.3984 2.5963 2.6419 2.7954 2.8002 2.9779 3.0248 3.2115 3.2479 4.0205 4.0807 4.1620 4.1942 4.3416 4.3619 4.5053 4.5811 5.4210 5.4241 5.4694 5.4783 5.6783 5.7321 6.0369 6.0825 6.6128 6.6462 6.8624 6.8722 6.9850 6.9854 7.2252 7.2272 7.2906 7.3169 7.8240 7.8251 9.9238 10.0312 10.4455 10.5586 10.6285 10.6447 11.5892 11.6129 k = 0.1875 0.2695 0.7351 ( 6846 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5069 -14.5068 -6.5130 -6.5129 -6.1997 -6.1946 -6.1238 -6.1236 -6.0833 -6.0783 -0.6790 -0.6758 1.3074 1.3130 1.3443 1.3547 1.5340 1.5441 1.6134 1.6321 1.6726 1.6826 1.9784 2.0279 2.0525 2.0691 2.3217 2.3419 2.3663 2.3909 2.6044 2.6477 2.7878 2.7927 2.9725 3.0235 3.1919 3.2249 4.0375 4.0983 4.1822 4.2132 4.3283 4.3541 4.5004 4.5689 5.4362 5.4433 5.4854 5.4936 5.6745 5.7268 6.0657 6.1067 6.6114 6.6414 6.8426 6.8514 7.0013 7.0036 7.2411 7.2444 7.3036 7.3284 7.8013 7.8028 9.9117 10.0070 10.4527 10.5532 10.6251 10.6404 11.5977 11.6200 k = 0.1964 0.2575 0.7501 ( 6852 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5068 -14.5068 -6.5077 -6.5076 -6.1917 -6.1864 -6.1290 -6.1287 -6.0909 -6.0858 -0.6829 -0.6801 1.3048 1.3082 1.3390 1.3496 1.5317 1.5407 1.6160 1.6350 1.6707 1.6814 1.9892 2.0289 2.0540 2.0653 2.3260 2.3404 2.3634 2.3839 2.6140 2.6531 2.7736 2.7854 2.9738 3.0259 3.1733 3.2018 4.0530 4.1124 4.2008 4.2299 4.3184 4.3482 4.4952 4.5558 5.4516 5.4622 5.5006 5.5079 5.6698 5.7196 6.0909 6.1270 6.6105 6.6368 6.8230 6.8306 7.0192 7.0235 7.2558 7.2607 7.3150 7.3372 7.7802 7.7821 9.9011 9.9835 10.4610 10.5477 10.6230 10.6364 11.6070 11.6279 k = 0.2054 0.2454 0.7651 ( 6852 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.5030 -6.5029 -6.1835 -6.1781 -6.1336 -6.1332 -6.0986 -6.0934 -0.6862 -0.6838 1.3024 1.3041 1.3349 1.3451 1.5295 1.5373 1.6192 1.6377 1.6691 1.6800 1.9996 2.0293 2.0555 2.0612 2.3297 2.3386 2.3618 2.3776 2.6251 2.6585 2.7585 2.7741 2.9811 3.0311 3.1557 3.1787 4.0670 4.1227 4.2173 4.2434 4.3134 4.3442 4.4900 4.5421 5.4669 5.4803 5.5144 5.5206 5.6647 5.7110 6.1126 6.1434 6.6101 6.6324 6.8050 6.8114 7.0371 7.0428 7.2687 7.2753 7.3252 7.3437 7.7612 7.7631 9.8923 9.9614 10.4699 10.5419 10.6218 10.6330 11.6161 11.6352 k = 0.2143 0.2334 0.7801 ( 6852 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4990 -6.4989 -6.1753 -6.1698 -6.1375 -6.1371 -6.1063 -6.1012 -0.6889 -0.6869 1.3001 1.3007 1.3320 1.3412 1.5274 1.5340 1.6228 1.6398 1.6679 1.6785 2.0094 2.0297 2.0564 2.0572 2.3327 2.3371 2.3609 2.3721 2.6372 2.6639 2.7435 2.7601 2.9930 3.0383 3.1391 3.1558 4.0797 4.1288 4.2314 4.2525 4.3139 4.3417 4.4852 4.5282 5.4819 5.4970 5.5264 5.5312 5.6599 5.7012 6.1308 6.1558 6.6103 6.6284 6.7895 6.7947 7.0542 7.0604 7.2795 7.2877 7.3342 7.3482 7.7446 7.7465 9.8859 9.9413 10.4788 10.5360 10.6214 10.6302 11.6239 11.6408 k = 0.2232 0.2213 0.7951 ( 6850 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4957 -6.4956 -6.1671 -6.1615 -6.1407 -6.1401 -6.1142 -6.1091 -0.6910 -0.6895 1.2981 1.2981 1.3303 1.3378 1.5259 1.5310 1.6266 1.6408 1.6675 1.6768 2.0182 2.0303 2.0536 2.0564 2.3349 2.3362 2.3605 2.3677 2.6504 2.6698 2.7291 2.7444 3.0083 3.0471 3.1235 3.1331 4.0911 4.1309 4.2428 4.2576 4.3190 4.3405 4.4814 4.5147 5.4961 5.5113 5.5360 5.5390 5.6564 5.6908 6.1455 6.1646 6.6109 6.6247 6.7771 6.7810 7.0693 7.0752 7.2881 7.2968 7.3421 7.3513 7.7309 7.7325 9.8821 9.9238 10.4874 10.5300 10.6215 10.6279 11.6301 11.6441 k = 0.2321 0.2093 0.8101 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4933 -6.4933 -6.1592 -6.1535 -6.1432 -6.1422 -6.1218 -6.1170 -0.6924 -0.6914 1.2962 1.2965 1.3297 1.3350 1.5249 1.5285 1.6303 1.6406 1.6680 1.6749 2.0254 2.0311 2.0510 2.0554 2.3359 2.3362 2.3603 2.3643 2.6645 2.6765 2.7158 2.7280 3.0259 3.0571 3.1089 3.1109 4.1015 4.1294 4.2512 4.2600 4.3260 4.3399 4.4795 4.5024 5.5088 5.5222 5.5428 5.5437 5.6553 5.6804 6.1568 6.1697 6.6121 6.6213 6.7682 6.7708 7.0815 7.0861 7.2946 7.3021 7.3485 7.3537 7.7206 7.7219 9.8812 9.9090 10.4956 10.5237 10.6220 10.6261 11.6350 11.6450 k = 0.2411 0.1972 0.8251 ( 6864 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4918 -6.4918 -6.1519 -6.1469 -6.1444 -6.1432 -6.1284 -6.1246 -0.6931 -0.6926 1.2952 1.2954 1.3299 1.3327 1.5247 1.5265 1.6338 1.6392 1.6692 1.6729 2.0302 2.0319 2.0500 2.0534 2.3361 2.3367 2.3604 2.3621 2.6794 2.6842 2.7038 2.7114 3.0450 3.0672 3.0900 3.0953 4.1107 4.1251 4.2567 4.2607 4.3323 4.3390 4.4803 4.4920 5.5194 5.5276 5.5461 5.5465 5.6573 5.6707 6.1649 6.1713 6.6137 6.6184 6.7630 6.7643 7.0898 7.0924 7.2994 7.3038 7.3529 7.3551 7.7144 7.7151 9.8833 9.8973 10.5032 10.5172 10.6227 10.6247 11.6389 11.6442 k = 0.2500 0.1852 0.8401 ( 6864 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4913 -6.4913 -6.1473 -6.1472 -6.1427 -6.1427 -6.1302 -6.1302 -0.6932 -0.6932 1.2949 1.2949 1.3310 1.3310 1.5252 1.5252 1.6368 1.6368 1.6709 1.6709 2.0320 2.0320 2.0511 2.0511 2.3365 2.3365 2.3609 2.3609 2.6928 2.6928 2.6957 2.6957 3.0641 3.0641 3.0838 3.0838 4.1186 4.1186 4.2597 4.2597 4.3367 4.3367 4.4845 4.4845 5.5263 5.5263 5.5472 5.5472 5.6627 5.6627 6.1697 6.1697 6.6158 6.6158 6.7617 6.7617 7.0936 7.0936 7.3026 7.3026 7.3550 7.3550 7.7125 7.7125 9.8887 9.8887 10.5104 10.5104 10.6236 10.6236 11.6420 11.6420 k = 0.2500 0.1852 0.8401 ( 6864 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4913 -6.4913 -6.1473 -6.1472 -6.1427 -6.1427 -6.1302 -6.1302 -0.6932 -0.6932 1.2949 1.2949 1.3310 1.3310 1.5252 1.5252 1.6368 1.6368 1.6709 1.6709 2.0320 2.0320 2.0511 2.0511 2.3365 2.3365 2.3609 2.3609 2.6928 2.6928 2.6957 2.6957 3.0641 3.0641 3.0838 3.0838 4.1186 4.1186 4.2597 4.2597 4.3367 4.3367 4.4845 4.4845 5.5263 5.5263 5.5472 5.5472 5.6627 5.6627 6.1697 6.1697 6.6158 6.6158 6.7617 6.7617 7.0936 7.0936 7.3026 7.3026 7.3550 7.3550 7.7125 7.7125 9.8887 9.8887 10.5104 10.5104 10.6236 10.6236 11.6420 11.6420 k = 0.2639 0.1955 0.8273 ( 6869 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4915 -6.4915 -6.1492 -6.1467 -6.1434 -6.1433 -6.1302 -6.1273 -0.6933 -0.6930 1.2947 1.2952 1.3305 1.3321 1.5247 1.5260 1.6348 1.6377 1.6697 1.6726 2.0155 2.0198 2.0630 2.0688 2.3361 2.3366 2.3605 2.3616 2.6713 2.6906 2.7082 2.7089 3.0517 3.0731 3.0816 3.0902 4.1119 4.1197 4.2574 4.2597 4.3347 4.3382 4.4835 4.4910 5.4977 5.5033 5.5690 5.5711 5.6616 5.6677 6.1675 6.1712 6.6136 6.6165 6.7639 6.7644 7.0918 7.0934 7.3008 7.3029 7.3550 7.3558 7.7117 7.7121 9.8858 9.8940 10.4881 10.4969 10.6405 10.6410 11.6409 11.6449 k = 0.2778 0.2057 0.8145 ( 6857 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4919 -6.4919 -6.1515 -6.1472 -6.1455 -6.1443 -6.1274 -6.1234 -0.6932 -0.6926 1.2942 1.2959 1.3309 1.3337 1.5241 1.5270 1.6323 1.6373 1.6682 1.6753 1.9927 2.0010 2.0826 2.0937 2.3354 2.3363 2.3605 2.3628 2.6508 2.6877 2.7228 2.7244 3.0381 3.0797 3.0822 3.0990 4.1007 4.1146 4.2527 4.2572 4.3326 4.3386 4.4875 4.5030 5.4603 5.4683 5.5939 5.5996 5.6669 5.6750 6.1648 6.1718 6.6104 6.6162 6.7709 6.7716 7.0880 7.0913 7.2985 7.3014 7.3561 7.3567 7.7093 7.7102 9.8856 9.9017 10.4467 10.4627 10.6756 10.6774 11.6413 11.6507 k = 0.2917 0.2160 0.8017 ( 6848 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4926 -6.4925 -6.1539 -6.1487 -6.1474 -6.1452 -6.1238 -6.1195 -0.6929 -0.6920 1.2935 1.2971 1.3320 1.3358 1.5232 1.5279 1.6292 1.6358 1.6664 1.6786 1.9706 1.9822 2.1038 2.1195 2.3344 2.3353 2.3613 2.3643 2.6328 2.6853 2.7379 2.7412 3.0249 3.0837 3.0848 3.1092 4.0858 4.1043 4.2458 4.2523 4.3300 4.3381 4.4960 4.5198 5.4224 5.4310 5.6103 5.6223 5.6802 5.6865 6.1618 6.1717 6.6070 6.6156 6.7822 6.7830 7.0825 7.0872 7.2962 7.2991 7.3571 7.3572 7.7052 7.7065 9.8882 9.9118 10.4009 10.4227 10.7141 10.7177 11.6433 11.6593 k = 0.3056 0.2263 0.7889 ( 6851 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4933 -6.4931 -6.1562 -6.1513 -6.1480 -6.1458 -6.1204 -6.1160 -0.6925 -0.6913 1.2926 1.2987 1.3337 1.3383 1.5218 1.5285 1.6257 1.6334 1.6643 1.6823 1.9501 1.9645 2.1259 2.1453 2.3331 2.3334 2.3630 2.3660 2.6174 2.6835 2.7534 2.7589 3.0124 3.0856 3.0894 3.1197 4.0677 4.0899 4.2372 4.2450 4.3266 4.3369 4.5078 4.5402 5.3852 5.3931 5.6174 5.6360 5.7000 5.7034 6.1583 6.1708 6.6043 6.6151 6.7972 6.7981 7.0756 7.0813 7.2939 7.2967 7.3568 7.3576 7.6991 7.7008 9.8938 9.9239 10.3555 10.3820 10.7511 10.7567 11.6457 11.6693 k = 0.3194 0.2366 0.7761 ( 6846 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4940 -6.4937 -6.1583 -6.1539 -6.1482 -6.1460 -6.1175 -6.1132 -0.6920 -0.6905 1.2917 1.3007 1.3359 1.3411 1.5197 1.5285 1.6221 1.6307 1.6618 1.6860 1.9318 1.9485 2.1486 2.1707 2.3307 2.3314 2.3659 2.3678 2.6045 2.6825 2.7694 2.7776 3.0006 3.0880 3.0941 3.1301 4.0473 4.0724 4.2270 4.2355 4.3225 4.3351 4.5222 4.5630 5.3492 5.3556 5.6184 5.6421 5.7216 5.7237 6.1546 6.1693 6.6029 6.6154 6.8153 6.8163 7.0676 7.0741 7.2918 7.2944 7.3559 7.3574 7.6911 7.6931 9.9023 9.9376 10.3130 10.3429 10.7843 10.7918 11.6458 11.6765 k = 0.3333 0.2469 0.7633 ( 6846 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4947 -6.4942 -6.1601 -6.1562 -6.1482 -6.1460 -6.1152 -6.1112 -0.6915 -0.6897 1.2908 1.3030 1.3384 1.3442 1.5168 1.5275 1.6186 1.6279 1.6591 1.6897 1.9162 1.9346 2.1715 2.1952 2.3277 2.3293 2.3696 2.3698 2.5938 2.6823 2.7859 2.7969 2.9896 3.0906 3.0988 3.1405 4.0253 4.0530 4.2155 4.2242 4.3175 4.3328 4.5382 4.5873 5.3149 5.3193 5.6158 5.6431 5.7417 5.7437 6.1506 6.1672 6.6032 6.6169 6.8358 6.8370 7.0591 7.0658 7.2896 7.2922 7.3545 7.3563 7.6813 7.6836 9.9134 9.9520 10.2753 10.3068 10.8126 10.8219 11.6407 11.6744 k = 0.3472 0.2572 0.7505 ( 6847 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4953 -6.4946 -6.1616 -6.1582 -6.1479 -6.1457 -6.1137 -6.1100 -0.6910 -0.6889 1.2899 1.3055 1.3410 1.3474 1.5131 1.5254 1.6157 1.6252 1.6562 1.6934 1.9035 1.9231 2.1943 2.2178 2.3252 2.3268 2.3719 2.3742 2.5853 2.6832 2.8029 2.8167 2.9791 3.0933 3.1037 3.1506 4.0024 4.0325 4.2030 4.2115 4.3116 4.3299 4.5554 4.6126 5.2828 5.2847 5.6104 5.6407 5.7585 5.7613 6.1465 6.1647 6.6051 6.6195 6.8582 6.8593 7.0505 7.0569 7.2873 7.2899 7.3528 7.3546 7.6703 7.6727 9.9268 9.9659 10.2444 10.2747 10.8352 10.8462 11.6294 11.6620 k = 0.3611 0.2675 0.7377 ( 6843 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4957 -6.4948 -6.1629 -6.1599 -6.1474 -6.1450 -6.1130 -6.1096 -0.6904 -0.6881 1.2891 1.3080 1.3436 1.3508 1.5085 1.5221 1.6136 1.6227 1.6530 1.6968 1.8938 1.9143 2.2167 2.2372 2.3240 2.3245 2.3742 2.3795 2.5788 2.6850 2.8203 2.8366 2.9696 3.0964 3.1087 3.1607 3.9791 4.0115 4.1898 4.1977 4.3048 4.3262 4.5733 4.6382 5.2522 5.2532 5.6025 5.6356 5.7713 5.7754 6.1423 6.1617 6.6087 6.6234 6.8815 6.8821 7.0422 7.0478 7.2848 7.2875 7.3508 7.3523 7.6585 7.6609 9.9417 9.9771 10.2224 10.2475 10.8517 10.8644 11.6132 11.6431 k = 0.3750 0.2777 0.7249 ( 6847 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5068 -14.5068 -6.4960 -6.4949 -6.1640 -6.1614 -6.1466 -6.1442 -6.1131 -6.1101 -0.6900 -0.6873 1.2885 1.3103 1.3459 1.3543 1.5034 1.5177 1.6126 1.6207 1.6497 1.7000 1.8870 1.9080 2.2384 2.2511 2.3209 2.3276 2.3767 2.3852 2.5738 2.6878 2.8380 2.8560 2.9612 3.0996 3.1138 3.1707 3.9559 3.9904 4.1761 4.1830 4.2969 4.3217 4.5916 4.6639 5.2221 5.2262 5.5923 5.6280 5.7797 5.7854 6.1380 6.1584 6.6138 6.6284 6.9041 6.9047 7.0351 7.0390 7.2821 7.2849 7.3487 7.3493 7.6469 7.6489 9.9575 9.9838 10.2115 10.2261 10.8624 10.8767 11.5933 11.6201 k = 0.3889 0.2880 0.7121 ( 6849 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5466 -14.5138 -14.5138 -14.5068 -14.5068 -6.4961 -6.4947 -6.1648 -6.1627 -6.1455 -6.1430 -6.1139 -6.1113 -0.6895 -0.6866 1.2880 1.3123 1.3479 1.3579 1.4980 1.5125 1.6124 1.6190 1.6463 1.7030 1.8830 1.9042 2.2581 2.2588 2.3178 2.3361 2.3796 2.3915 2.5703 2.6915 2.8559 2.8741 2.9548 3.1030 3.1191 3.1808 3.9332 3.9699 4.1623 4.1680 4.2881 4.3163 4.6100 4.6893 5.1948 5.2022 5.5798 5.6181 5.7839 5.7915 6.1336 6.1547 6.6199 6.6343 6.9233 6.9262 7.0301 7.0313 7.2792 7.2820 7.3456 7.3466 7.6365 7.6378 9.9730 9.9847 10.2113 10.2126 10.8674 10.8835 11.5707 11.5945 k = 0.4028 0.2983 0.6993 ( 6854 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5467 -14.5466 -14.5138 -14.5138 -14.5068 -14.5068 -6.4960 -6.4944 -6.1656 -6.1640 -6.1442 -6.1416 -6.1153 -6.1132 -0.6891 -0.6860 1.2877 1.3137 1.3494 1.3618 1.4926 1.5070 1.6131 1.6177 1.6429 1.7058 1.8815 1.9029 2.2589 2.2775 2.3150 2.3491 2.3830 2.3981 2.5679 2.6959 2.8736 2.8892 2.9516 3.1066 3.1244 3.1909 3.9114 3.9502 4.1485 4.1529 4.2784 4.3099 4.6283 4.7142 5.1703 5.1813 5.5650 5.6060 5.7842 5.7937 6.1292 6.1508 6.6267 6.6406 6.9374 6.9438 7.0260 7.0284 7.2759 7.2790 7.3410 7.3444 7.6287 7.6289 9.9809 9.9871 10.2039 10.2244 10.8672 10.8851 11.5459 11.5669 k = 0.4167 0.3086 0.6865 ( 6846 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5467 -14.5466 -14.5139 -14.5138 -14.5068 -14.5068 -6.4958 -6.4940 -6.1664 -6.1653 -6.1426 -6.1399 -6.1172 -6.1156 -0.6888 -0.6854 1.2876 1.3143 1.3504 1.3660 1.4874 1.5015 1.6142 1.6165 1.6396 1.7085 1.8824 1.9038 2.2560 2.2933 2.3135 2.3641 2.3871 2.4052 2.5664 2.7008 2.8909 2.8993 2.9538 3.1105 3.1299 3.2013 3.8909 3.9317 4.1352 4.1381 4.2679 4.3025 4.6464 4.7386 5.1489 5.1633 5.5481 5.5918 5.7808 5.7923 6.1248 6.1465 6.6337 6.6471 6.9447 6.9548 7.0252 7.0309 7.2723 7.2758 7.3350 7.3418 7.6234 7.6247 9.9747 9.9991 10.2040 10.2440 10.8624 10.8821 11.5189 11.5374 k = 0.4306 0.3189 0.6737 ( 6848 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4955 -6.4934 -6.1675 -6.1669 -6.1408 -6.1381 -6.1192 -6.1182 -0.6886 -0.6849 1.2878 1.3141 1.3511 1.3707 1.4826 1.4964 1.6155 1.6156 1.6365 1.7110 1.8854 1.9067 2.2513 2.3022 2.3173 2.3793 2.3918 2.4127 2.5657 2.7058 2.9037 2.9073 2.9616 3.1146 3.1355 3.2119 3.8720 3.9147 4.1224 4.1238 4.2565 4.2943 4.6639 4.7621 5.1303 5.1484 5.5291 5.5757 5.7742 5.7877 6.1203 6.1419 6.6404 6.6533 6.9455 6.9575 7.0299 7.0366 7.2682 7.2725 7.3272 7.3384 7.6228 7.6256 9.9682 10.0088 10.2111 10.2685 10.8533 10.8750 11.4898 11.5061 k = 0.4444 0.3292 0.6609 ( 6848 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4951 -6.4928 -6.1689 -6.1689 -6.1388 -6.1360 -6.1211 -6.1206 -0.6884 -0.6845 1.2881 1.3132 1.3514 1.3760 1.4782 1.4916 1.6144 1.6166 1.6339 1.7133 1.8903 1.9112 2.2459 2.3034 2.3271 2.3935 2.3974 2.4205 2.5656 2.7104 2.9052 2.9225 2.9726 3.1192 3.1413 3.2229 3.8549 3.8995 4.1103 4.1103 4.2444 4.2853 4.6809 4.7847 5.1147 5.1363 5.5084 5.5580 5.7650 5.7804 6.1157 6.1370 6.6465 6.6590 6.9417 6.9538 7.0380 7.0433 7.2636 7.2694 7.3174 7.3338 7.6279 7.6320 9.9630 10.0165 10.2238 10.2957 10.8403 10.8642 11.4584 11.4731 k = 0.4583 0.3395 0.6481 ( 6852 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4948 -6.4922 -6.1716 -6.1711 -6.1366 -6.1338 -6.1225 -6.1224 -0.6884 -0.6842 1.2888 1.3117 1.3516 1.3819 1.4744 1.4872 1.6132 1.6169 1.6320 1.7156 1.8967 1.9169 2.2405 2.3034 2.3365 2.4037 2.4063 2.4286 2.5660 2.7138 2.9067 2.9359 2.9838 3.1242 3.1472 3.2342 3.8399 3.8864 4.0978 4.0991 4.2318 4.2755 4.6970 4.8063 5.1017 5.1268 5.4862 5.5389 5.7536 5.7706 6.1110 6.1318 6.6514 6.6638 6.9351 6.9464 7.0468 7.0494 7.2586 7.2665 7.3055 7.3277 7.6387 7.6438 9.9597 10.0231 10.2402 10.3235 10.8238 10.8500 11.4249 11.4387 k = 0.4722 0.3498 0.6353 ( 6853 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4947 -6.4918 -6.1751 -6.1742 -6.1342 -6.1317 -6.1231 -6.1231 -0.6884 -0.6840 1.2899 1.3099 1.3519 1.3884 1.4711 1.4832 1.6120 1.6160 1.6312 1.7178 1.9044 1.9233 2.2356 2.3041 2.3441 2.4105 2.4174 2.4370 2.5666 2.7154 2.9100 2.9470 2.9938 3.1296 3.1533 3.2463 3.8273 3.8756 4.0864 4.0889 4.2188 4.2652 4.7122 4.8267 5.0911 5.1197 5.4630 5.5188 5.7403 5.7589 6.1060 6.1263 6.6549 6.6675 6.9267 6.9370 7.0540 7.0550 7.2532 7.2640 7.2920 7.3205 7.6548 7.6603 9.9587 10.0290 10.2584 10.3507 10.8040 10.8327 11.3897 11.4034 k = 0.4861 0.3600 0.6225 ( 6851 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4949 -6.4917 -6.1793 -6.1782 -6.1318 -6.1298 -6.1227 -6.1224 -0.6884 -0.6838 1.2914 1.3082 1.3525 1.3955 1.4681 1.4795 1.6105 1.6142 1.6312 1.7200 1.9131 1.9300 2.2315 2.3062 2.3496 2.4175 2.4269 2.4455 2.5676 2.7147 2.9157 2.9555 3.0022 3.1353 3.1593 3.2592 3.8173 3.8673 4.0762 4.0795 4.2055 4.2543 4.7263 4.8460 5.0823 5.1144 5.4394 5.4983 5.7258 5.7457 6.1009 6.1205 6.6567 6.6696 6.9169 6.9265 7.0569 7.0621 7.2477 7.2618 7.2779 7.3131 7.6748 7.6805 9.9596 10.0344 10.2770 10.3759 10.7812 10.8125 11.3537 11.3682 k = 0.5000 0.3703 0.6097 ( 6856 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4955 -6.4922 -6.1841 -6.1829 -6.1293 -6.1279 -6.1213 -6.1205 -0.6885 -0.6837 1.2933 1.3067 1.3535 1.4030 1.4655 1.4760 1.6090 1.6117 1.6316 1.7222 1.9222 1.9365 2.2284 2.3098 2.3536 2.4242 2.4350 2.4538 2.5689 2.7116 2.9237 2.9610 3.0096 3.1408 3.1651 3.2733 3.8100 3.8616 4.0670 4.0709 4.1921 4.2431 4.7393 4.8639 5.0748 5.1103 5.4160 5.4779 5.7103 5.7313 6.0955 6.1144 6.6566 6.6702 6.9061 6.9151 7.0583 7.0683 7.2423 7.2572 7.2669 7.3063 7.6975 7.7029 9.9621 10.0389 10.2948 10.3980 10.7556 10.7895 11.3181 11.3343 k = 0.5000 0.3703 0.6097 ( 6856 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4955 -6.4922 -6.1841 -6.1829 -6.1293 -6.1279 -6.1213 -6.1205 -0.6885 -0.6837 1.2933 1.3067 1.3535 1.4030 1.4655 1.4760 1.6090 1.6117 1.6316 1.7222 1.9222 1.9365 2.2284 2.3098 2.3536 2.4242 2.4350 2.4538 2.5689 2.7116 2.9237 2.9610 3.0096 3.1408 3.1651 3.2733 3.8100 3.8616 4.0670 4.0709 4.1921 4.2431 4.7393 4.8639 5.0748 5.1103 5.4160 5.4779 5.7103 5.7313 6.0955 6.1144 6.6566 6.6702 6.9061 6.9151 7.0583 7.0683 7.2423 7.2572 7.2669 7.3063 7.6975 7.7029 9.9621 10.0389 10.2948 10.3980 10.7556 10.7895 11.3181 11.3343 k = 0.5000 0.3703 0.5886 ( 6858 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5466 -14.5139 -14.5138 -14.5069 -14.5068 -6.4973 -6.4937 -6.1926 -6.1913 -6.1253 -6.1248 -6.1175 -6.1157 -0.6890 -0.6838 1.2971 1.3047 1.3561 1.4162 1.4616 1.4703 1.6059 1.6078 1.6322 1.7261 1.9369 1.9460 2.2257 2.3181 2.3588 2.4351 2.4467 2.4681 2.5717 2.7023 2.9372 2.9676 3.0248 3.1500 3.1740 3.2986 3.7997 3.8533 4.0525 4.0574 4.1702 4.2245 4.7605 4.8926 5.0623 5.1039 5.3771 5.4432 5.6850 5.7077 6.0870 6.1046 6.6535 6.6681 6.8871 6.8954 7.0581 7.0767 7.2339 7.2377 7.2625 7.2972 7.7377 7.7427 9.9658 10.0440 10.3194 10.4276 10.7103 10.7482 11.2634 11.2831 k = 0.5000 0.3703 0.5676 ( 6856 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5138 -14.5069 -14.5068 -6.4996 -6.4957 -6.2015 -6.2001 -6.1218 -6.1215 -6.1125 -6.1099 -0.6900 -0.6846 1.3011 1.3031 1.3595 1.4299 1.4579 1.4646 1.6021 1.6046 1.6324 1.7305 1.9504 1.9539 2.2260 2.3286 2.3639 2.4471 2.4574 2.4842 2.5759 2.6909 2.9460 2.9737 3.0487 3.1598 3.1824 3.3259 3.7884 3.8428 4.0371 4.0435 4.1491 4.2061 4.7833 4.9223 5.0482 5.0974 5.3364 5.4048 5.6615 5.6858 6.0799 6.0959 6.6478 6.6630 6.8676 6.8754 7.0551 7.0818 7.2183 7.2262 7.2603 7.2898 7.7808 7.7852 9.9665 10.0456 10.3360 10.4478 10.6630 10.7041 11.2147 11.2384 k = 0.5000 0.3703 0.5466 ( 6852 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5138 -14.5069 -14.5069 -6.5024 -6.4982 -6.2108 -6.2093 -6.1185 -6.1176 -6.1067 -6.1036 -0.6918 -0.6860 1.3021 1.3055 1.3637 1.4435 1.4543 1.4589 1.5976 1.6025 1.6322 1.7357 1.9602 1.9621 2.2296 2.3401 2.3696 2.4603 2.4676 2.5015 2.5818 2.6795 2.9490 2.9791 3.0800 3.1701 3.1901 3.3549 3.7761 3.8299 4.0210 4.0296 4.1290 4.1882 4.8075 4.9527 5.0321 5.0910 5.2950 5.3631 5.6400 5.6657 6.0740 6.0883 6.6398 6.6551 6.8480 6.8553 7.0493 7.0823 7.2029 7.2199 7.2580 7.2834 7.8261 7.8298 9.9637 10.0432 10.3432 10.4559 10.6152 10.6577 11.1739 11.2011 k = 0.5000 0.3703 0.5256 ( 6846 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5137 -14.5069 -14.5069 -6.5057 -6.5013 -6.2204 -6.2188 -6.1146 -6.1133 -6.1003 -6.0969 -0.6943 -0.6883 1.3016 1.3101 1.3687 1.4508 1.4511 1.4589 1.5925 1.6017 1.6321 1.7417 1.9650 1.9719 2.2363 2.3498 2.3780 2.4748 2.4771 2.5193 2.5897 2.6699 2.9476 2.9838 3.1158 3.1814 3.1969 3.3855 3.7629 3.8146 4.0042 4.0157 4.1104 4.1713 4.8327 4.9834 5.0132 5.0845 5.2544 5.3186 5.6205 5.6476 6.0692 6.0819 6.6296 6.6444 6.8283 6.8353 7.0412 7.0774 7.1928 7.2153 7.2553 7.2776 7.8731 7.8760 9.9569 10.0362 10.3402 10.4488 10.5688 10.6092 11.1419 11.1720 k = 0.5000 0.3703 0.5045 ( 6836 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5137 -14.5069 -14.5069 -6.5096 -6.5050 -6.2301 -6.2285 -6.1101 -6.1085 -6.0936 -6.0899 -0.6976 -0.6914 1.3018 1.3148 1.3743 1.4454 1.4474 1.4713 1.5870 1.6021 1.6321 1.7485 1.9684 1.9799 2.2453 2.3546 2.3921 2.4862 2.4905 2.5372 2.5999 2.6640 2.9432 2.9877 3.1515 3.1955 3.2027 3.4173 3.7490 3.7969 3.9868 4.0015 4.0936 4.1556 4.8585 4.9907 5.0142 5.0781 5.2164 5.2719 5.6032 5.6317 6.0655 6.0767 6.6176 6.6314 6.8089 6.8154 7.0316 7.0675 7.1877 7.2122 7.2522 7.2720 7.9209 7.9232 9.9458 10.0242 10.3270 10.4243 10.5260 10.5590 11.1191 11.1510 k = 0.5000 0.3703 0.4835 ( 6840 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5466 -14.5465 -14.5139 -14.5137 -14.5069 -14.5069 -6.5140 -6.5092 -6.2401 -6.2383 -6.1050 -6.1032 -6.0865 -6.0827 -0.7017 -0.6954 1.3025 1.3195 1.3803 1.4387 1.4441 1.4834 1.5813 1.6036 1.6329 1.7560 1.9707 1.9864 2.2554 2.3555 2.4105 2.4950 2.5075 2.5550 2.6123 2.6631 2.9365 2.9908 3.1786 3.2072 3.2196 3.4497 3.7345 3.7771 3.9688 3.9869 4.0792 4.1413 4.8831 4.9647 5.0439 5.0718 5.1828 5.2242 5.5884 5.6184 6.0628 6.0724 6.6036 6.6160 6.7897 6.7959 7.0213 7.0542 7.1862 7.2102 7.2487 7.2664 7.9692 7.9707 9.9302 10.0072 10.3041 10.3843 10.4858 10.5074 11.1051 11.1375 k = 0.5000 0.3703 0.4625 ( 6836 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5465 -14.5139 -14.5137 -14.5069 -14.5069 -6.5189 -6.5140 -6.2501 -6.2483 -6.0993 -6.0973 -6.0792 -6.0753 -0.7067 -0.7002 1.3038 1.3241 1.3868 1.4316 1.4410 1.4942 1.5755 1.6058 1.6353 1.7642 1.9721 1.9919 2.2652 2.3543 2.4314 2.5038 2.5257 2.5723 2.6270 2.6679 2.9283 2.9930 3.1932 3.2105 3.2562 3.4823 3.7200 3.7558 3.9501 3.9715 4.0673 4.1286 4.8966 4.9444 5.0572 5.0792 5.1549 5.1774 5.5762 5.6078 6.0608 6.0691 6.5879 6.5985 6.7709 6.7767 7.0112 7.0395 7.1867 7.2087 7.2450 7.2609 8.0171 8.0180 9.9102 9.9853 10.2726 10.3346 10.4444 10.4546 11.0986 11.1305 k = 0.5000 0.3703 0.4415 ( 6832 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5069 -14.5069 -6.5242 -6.5192 -6.2601 -6.2582 -6.0930 -6.0908 -6.0718 -6.0678 -0.7125 -0.7059 1.3055 1.3283 1.3932 1.4240 1.4383 1.5035 1.5700 1.6079 1.6403 1.7731 1.9726 1.9969 2.2734 2.3521 2.4535 2.5134 2.5447 2.5892 2.6439 2.6786 2.9189 2.9945 3.2023 3.2125 3.2976 3.5142 3.7060 3.7334 3.9310 3.9551 4.0581 4.1176 4.8728 4.9557 5.0431 5.1062 5.1332 5.1365 5.5670 5.6005 6.0596 6.0665 6.5706 6.5790 6.7525 6.7579 7.0019 7.0250 7.1879 7.2075 7.2412 7.2553 8.0644 8.0645 9.8863 9.9593 10.2338 10.2801 10.3989 10.4005 11.0978 11.1289 k = 0.5000 0.3703 0.4205 ( 6834 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5069 -14.5069 -6.5299 -6.5249 -6.2701 -6.2682 -6.0862 -6.0838 -6.0643 -6.0602 -0.7191 -0.7125 1.3076 1.3319 1.3993 1.4161 1.4367 1.5112 1.5648 1.6093 1.6484 1.7825 1.9726 2.0019 2.2788 2.3497 2.4760 2.5244 2.5644 2.6062 2.6628 2.6942 2.9089 2.9955 3.2090 3.2133 3.3400 3.5442 3.6936 3.7106 3.9112 3.9374 4.0515 4.1082 4.8304 4.9807 5.0139 5.1078 5.1170 5.1342 5.5610 5.5970 6.0589 6.0646 6.5516 6.5578 6.7346 6.7395 6.9938 7.0114 7.1891 7.2060 7.2373 7.2499 8.1099 8.1104 9.8589 9.9297 10.1894 10.2234 10.3451 10.3487 11.1009 11.1311 k = 0.5000 0.3703 0.3994 ( 6838 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5070 -14.5069 -6.5359 -6.5310 -6.2800 -6.2780 -6.0789 -6.0765 -6.0567 -6.0526 -0.7264 -0.7199 1.3098 1.3344 1.4041 1.4079 1.4368 1.5175 1.5602 1.6099 1.6595 1.7924 1.9720 2.0070 2.2811 2.3475 2.4983 2.5370 2.5845 2.6238 2.6834 2.7135 2.8992 2.9963 3.2129 3.2139 3.3818 3.5700 3.6851 3.6879 3.8910 3.9186 4.0471 4.1004 4.7821 4.9702 5.0073 5.0946 5.1053 5.1588 5.5588 5.5979 6.0587 6.0631 6.5311 6.5351 6.7172 6.7217 6.9871 6.9993 7.1895 7.2040 7.2337 7.2449 8.1536 8.1548 9.8286 9.8975 10.1409 10.1663 10.2882 10.2942 11.1062 11.1359 k = 0.5000 0.3703 0.3784 ( 6836 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5070 -14.5069 -6.5422 -6.5373 -6.2898 -6.2878 -6.0712 -6.0687 -6.0491 -6.0451 -0.7344 -0.7279 1.3120 1.3357 1.3995 1.4071 1.4397 1.5228 1.5564 1.6103 1.6728 1.8026 1.9710 2.0124 2.2806 2.3460 2.5197 2.5507 2.6046 2.6423 2.7057 2.7351 2.8907 2.9974 3.2115 3.2173 3.4224 3.5877 3.6662 3.6842 3.8703 3.8989 4.0446 4.0940 4.7310 4.9188 5.0333 5.0892 5.0973 5.1805 5.5609 5.6038 6.0588 6.0621 6.5092 6.5111 6.7004 6.7045 6.9821 6.9893 7.1889 7.2011 7.2307 7.2403 8.1955 8.1972 9.7960 9.8634 10.0896 10.1096 10.2297 10.2360 11.1122 11.1418 k = 0.5000 0.3703 0.3574 ( 6828 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5465 -14.5464 -14.5139 -14.5137 -14.5070 -14.5069 -6.5487 -6.5439 -6.2993 -6.2973 -6.0632 -6.0607 -6.0415 -6.0376 -0.7429 -0.7366 1.3139 1.3353 1.3913 1.4084 1.4454 1.5271 1.5537 1.6109 1.6877 1.8129 1.9695 2.0179 2.2781 2.3454 2.5398 2.5643 2.6244 2.6619 2.7292 2.7576 2.8852 2.9993 3.2091 3.2192 3.4604 3.5938 3.6466 3.6943 3.8492 3.8784 4.0437 4.0890 4.6784 4.8642 5.0576 5.0878 5.0925 5.1984 5.5676 5.6151 6.0591 6.0614 6.4862 6.4862 6.6843 6.6879 6.9790 6.9814 7.1868 7.1971 7.2284 7.2364 8.2352 8.2374 9.7617 9.8282 10.0367 10.0541 10.1699 10.1751 11.1174 11.1475 k = 0.5000 0.3703 0.3364 ( 6832 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5464 -14.5464 -14.5139 -14.5137 -14.5070 -14.5069 -6.5553 -6.5506 -6.3086 -6.3066 -6.0550 -6.0525 -6.0341 -6.0303 -0.7520 -0.7458 1.3152 1.3329 1.3835 1.4088 1.4531 1.5309 1.5520 1.6117 1.7036 1.8233 1.9676 2.0232 2.2745 2.3458 2.5577 2.5762 2.6439 2.6824 2.7537 2.7795 2.8847 3.0025 3.2061 3.2196 3.4940 3.5907 3.6309 3.7128 3.8280 3.8573 4.0441 4.0850 4.6253 4.8081 5.0786 5.0889 5.0911 5.2121 5.5794 5.6321 6.0596 6.0608 6.4606 6.4621 6.6687 6.6720 6.9756 6.9776 7.1831 7.1920 7.2270 7.2332 8.2724 8.2752 9.7263 9.7923 9.9831 10.0004 10.1092 10.1123 11.1206 11.1516 k = 0.5000 0.3703 0.3153 ( 6834 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5619 -6.5574 -6.3176 -6.3155 -6.0466 -6.0442 -6.0267 -6.0232 -0.7613 -0.7554 1.3153 1.3287 1.3768 1.4089 1.4622 1.5342 1.5515 1.6132 1.7199 1.8336 1.9654 2.0280 2.2711 2.3474 2.5729 2.5848 2.6630 2.7034 2.7787 2.7996 2.8916 3.0076 3.2026 3.2186 3.5193 3.5833 3.6232 3.7343 3.8073 3.8358 4.0455 4.0820 4.5723 4.7515 5.0870 5.0917 5.1014 5.2216 5.5966 5.6545 6.0602 6.0603 6.4345 6.4374 6.6540 6.6568 6.9722 6.9781 7.1781 7.1857 7.2262 7.2305 8.3071 8.3103 9.6899 9.7562 9.9295 9.9488 10.0485 10.0486 11.1207 11.1529 k = 0.5000 0.3703 0.2943 ( 6832 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5685 -6.5641 -6.3262 -6.3242 -6.0382 -6.0360 -6.0196 -6.0162 -0.7710 -0.7653 1.3137 1.3229 1.3716 1.4091 1.4720 1.5371 1.5521 1.6155 1.7363 1.8435 1.9629 2.0318 2.2685 2.3500 2.5845 2.5890 2.6818 2.7241 2.8040 2.8182 2.9065 3.0149 3.1992 3.2161 3.5307 3.5747 3.6290 3.7523 3.7904 3.8142 4.0478 4.0797 4.5199 4.6947 5.0888 5.0958 5.1170 5.2271 5.6190 5.6817 6.0598 6.0607 6.4084 6.4121 6.6400 6.6424 6.9709 6.9804 7.1720 7.1787 7.2259 7.2281 8.3391 8.3426 9.6529 9.7197 9.8764 9.8998 9.9852 9.9888 11.1168 11.1503 k = 0.5000 0.3703 0.2733 ( 6840 PWs) bands (ev): -15.5567 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5749 -6.5708 -6.3344 -6.3324 -6.0298 -6.0278 -6.0127 -6.0096 -0.7807 -0.7753 1.3101 1.3158 1.3686 1.4094 1.4824 1.5397 1.5539 1.6186 1.7526 1.8529 1.9602 2.0341 2.2676 2.3534 2.5881 2.5919 2.7007 2.7443 2.8293 2.8372 2.9276 3.0244 3.1962 3.2123 3.5294 3.5664 3.6472 3.7503 3.7926 3.7928 4.0506 4.0780 4.4686 4.6382 5.0912 5.1010 5.1302 5.2293 5.6462 5.7127 6.0593 6.0613 6.3824 6.3867 6.6269 6.6289 6.9719 6.9844 7.1651 7.1711 7.2256 7.2258 8.3683 8.3720 9.6153 9.6827 9.8246 9.8537 9.9230 9.9314 11.1083 11.1430 k = 0.5000 0.3703 0.2523 ( 6844 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5811 -6.5773 -6.3421 -6.3402 -6.0217 -6.0198 -6.0061 -6.0032 -0.7904 -0.7853 1.3045 1.3078 1.3675 1.4096 1.4932 1.5419 1.5568 1.6225 1.7685 1.8618 1.9574 2.0348 2.2687 2.3574 2.5826 2.5952 2.7196 2.7637 2.8544 2.8585 2.9519 3.0355 3.1941 3.2071 3.5225 3.5590 3.6701 3.7319 3.7725 3.8098 4.0540 4.0767 4.4188 4.5822 5.0946 5.1071 5.1408 5.2288 5.6777 5.7466 6.0588 6.0617 6.3568 6.3615 6.6146 6.6163 6.9749 6.9900 7.1577 7.1632 7.2233 7.2252 8.3947 8.3986 9.5771 9.6444 9.7750 9.8106 9.8634 9.8774 11.0950 11.1307 k = 0.5000 0.3703 0.2312 ( 6844 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5137 -14.5070 -14.5070 -6.5871 -6.5835 -6.3494 -6.3476 -6.0137 -6.0121 -5.9998 -5.9973 -0.7999 -0.7952 1.2975 1.2994 1.3680 1.4096 1.5039 1.5440 1.5609 1.6272 1.7838 1.8699 1.9546 2.0335 2.2720 2.3614 2.5735 2.5948 2.7386 2.7826 2.8790 2.8825 2.9772 3.0475 3.1936 3.2008 3.5151 3.5529 3.6901 3.7107 3.7564 3.8282 4.0576 4.0755 4.3709 4.5271 5.0987 5.1137 5.1493 5.2262 5.7124 5.7822 6.0581 6.0621 6.3319 6.3367 6.6033 6.6046 6.9798 6.9971 7.1500 7.1552 7.2204 7.2245 8.4183 8.4222 9.5381 9.6037 9.7290 9.7708 9.8077 9.8277 11.0771 11.1133 k = 0.5000 0.3703 0.2102 ( 6844 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5464 -14.5463 -14.5139 -14.5138 -14.5070 -14.5070 -6.5928 -6.5895 -6.3561 -6.3544 -6.0061 -6.0048 -5.9938 -5.9917 -0.8091 -0.8048 1.2897 1.2908 1.3696 1.4093 1.5143 1.5458 1.5661 1.6325 1.7985 1.8772 1.9521 2.0304 2.2772 2.3651 2.5623 2.5914 2.7573 2.8010 2.9030 2.9085 3.0019 3.0590 3.1935 3.1952 3.5092 3.5483 3.6892 3.6970 3.7530 3.8451 4.0615 4.0743 4.3254 4.4731 5.1030 5.1207 5.1561 5.2222 5.7493 5.8186 6.0574 6.0625 6.3081 6.3126 6.5929 6.5940 6.9864 7.0055 7.1422 7.1473 7.2172 7.2234 8.4391 8.4430 9.4983 9.5601 9.6882 9.7338 9.7574 9.7828 11.0551 11.0913 k = 0.5000 0.3703 0.1892 ( 6848 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5139 -14.5138 -14.5070 -14.5070 -6.5981 -6.5951 -6.3623 -6.3607 -5.9990 -5.9980 -5.9882 -5.9865 -0.8179 -0.8140 1.2817 1.2823 1.3718 1.4088 1.5240 1.5476 1.5726 1.6381 1.8122 1.8835 1.9499 2.0258 2.2837 2.3678 2.5503 2.5861 2.7757 2.8189 2.9261 2.9358 3.0247 3.0693 3.1856 3.1992 3.5058 3.5451 3.6682 3.6862 3.7662 3.8601 4.0654 4.0730 4.2827 4.4204 5.1074 5.1276 5.1619 5.2174 5.7874 5.8546 6.0568 6.0629 6.2854 6.2896 6.5835 6.5843 6.9946 7.0150 7.1346 7.1398 7.2134 7.2217 8.4573 8.4610 9.4581 9.5139 9.6533 9.6983 9.7147 9.7428 11.0299 11.0654 k = 0.5000 0.3703 0.1682 ( 6840 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6029 -6.6002 -6.3679 -6.3665 -5.9923 -5.9917 -5.9831 -5.9818 -0.8261 -0.8226 1.2739 1.2742 1.3744 1.4080 1.5326 1.5492 1.5806 1.6438 1.8251 1.8888 1.9482 2.0198 2.2910 2.3690 2.5388 2.5798 2.7935 2.8362 2.9481 2.9633 3.0450 3.0776 3.1774 3.2054 3.5053 3.5433 3.6483 3.6688 3.7850 3.8729 4.0692 4.0714 4.2436 4.3695 5.1116 5.1341 5.1671 5.2122 5.8253 5.8892 6.0563 6.0635 6.2642 6.2678 6.5751 6.5757 7.0041 7.0253 7.1272 7.1328 7.2090 7.2195 8.4729 8.4763 9.4180 9.4665 9.6237 9.6628 9.6816 9.7078 11.0026 11.0368 k = 0.5000 0.3703 0.1472 ( 6834 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6073 -6.6049 -6.3729 -6.3716 -5.9863 -5.9860 -5.9784 -5.9776 -0.8336 -0.8305 1.2665 1.2667 1.3772 1.4070 1.5397 1.5508 1.5898 1.6493 1.8370 1.8930 1.9472 2.0130 2.2982 2.3685 2.5289 2.5733 2.8103 2.8522 2.9686 2.9901 3.0621 3.0840 3.1698 3.2131 3.5075 3.5425 3.6300 3.6502 3.8039 3.8833 4.0695 4.0730 4.2085 4.3208 5.1154 5.1398 5.1720 5.2071 5.8621 5.9215 6.0562 6.0643 6.2447 6.2475 6.5677 6.5681 7.0147 7.0359 7.1203 7.1265 7.2041 7.2165 8.4860 8.4891 9.3791 9.4201 9.5989 9.6297 9.6556 9.6774 10.9746 11.0067 k = 0.5000 0.3703 0.1261 ( 6836 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6111 -6.6091 -6.3772 -6.3761 -5.9810 -5.9809 -5.9742 -5.9738 -0.8404 -0.8377 1.2597 1.2598 1.3800 1.4058 1.5454 1.5522 1.6000 1.6543 1.8478 1.8960 1.9470 2.0057 2.3049 2.3660 2.5216 2.5669 2.8262 2.8666 2.9875 3.0149 3.0761 3.0888 3.1637 3.2210 3.5121 3.5424 3.6138 3.6321 3.8216 3.8913 4.0670 4.0766 4.1784 4.2746 5.1187 5.1442 5.1767 5.2027 5.8965 5.9502 6.0570 6.0657 6.2269 6.2290 6.5614 6.5616 7.0259 7.0463 7.1141 7.1213 7.1986 7.2127 8.4969 8.4995 9.3426 9.3763 9.5779 9.6011 9.6342 9.6516 10.9473 10.9766 k = 0.5000 0.3703 0.1051 ( 6840 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6144 -6.6127 -6.3809 -6.3800 -5.9768 -5.9763 -5.9706 -5.9706 -0.8462 -0.8440 1.2538 1.2538 1.3828 1.4044 1.5497 1.5537 1.6107 1.6583 1.8576 1.8979 1.9476 1.9980 2.3106 2.3617 2.5172 2.5610 2.8409 2.8789 3.0044 3.0361 3.0868 3.0926 3.1607 3.2277 3.5184 3.5424 3.6005 3.6154 3.8377 3.8969 4.0643 4.0799 4.1537 4.2315 5.1217 5.1467 5.1812 5.1994 5.9274 5.9740 6.0593 6.0680 6.2109 6.2123 6.5560 6.5561 7.0376 7.0560 7.1086 7.1174 7.1928 7.2082 8.5056 8.5077 9.3097 9.3368 9.5605 9.5772 9.6168 9.6301 10.9220 10.9477 k = 0.5000 0.3703 0.0841 ( 6840 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6171 -6.6157 -6.3840 -6.3832 -5.9732 -5.9725 -5.9679 -5.9675 -0.8511 -0.8493 1.2487 1.2487 1.3854 1.4028 1.5529 1.5549 1.6214 1.6611 1.8663 1.8986 1.9491 1.9904 2.3153 2.3561 2.5159 2.5554 2.8545 2.8884 3.0194 3.0517 3.0945 3.0957 3.1627 3.2319 3.5255 3.5420 3.5905 3.6008 3.8520 3.9000 4.0617 4.0829 4.1347 4.1923 5.1245 5.1472 5.1854 5.1975 5.9536 5.9917 6.0640 6.0714 6.1970 6.1977 6.5517 6.5517 7.0490 7.0641 7.1043 7.1150 7.1870 7.2030 8.5123 8.5140 9.2816 9.3026 9.5463 9.5579 9.6030 9.6128 10.9000 10.9215 k = 0.5000 0.3703 0.0631 ( 6834 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5462 -14.5138 -14.5138 -14.5070 -14.5070 -6.6192 -6.6181 -6.3863 -6.3857 -5.9704 -5.9696 -5.9657 -5.9651 -0.8549 -0.8536 1.2447 1.2447 1.3881 1.4011 1.5553 1.5561 1.6316 1.6623 1.8739 1.8982 1.9515 1.9831 2.3192 2.3498 2.5174 2.5499 2.8667 2.8948 3.0323 3.0606 3.0983 3.0994 3.1706 3.2325 3.5323 3.5413 3.5837 3.5888 3.8645 3.9008 4.0603 4.0856 4.1212 4.1577 5.1273 5.1459 5.1892 5.1968 5.9745 6.0026 6.0710 6.0761 6.1852 6.1854 6.5483 6.5483 7.0596 7.0701 7.1016 7.1138 7.1821 7.1973 8.5173 8.5185 9.2593 9.2746 9.5353 9.5430 9.5926 9.5995 10.8824 10.8991 k = 0.5000 0.3703 0.0420 ( 6834 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5510 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6206 -6.6199 -6.3880 -6.3876 -5.9683 -5.9677 -5.9639 -5.9634 -0.8576 -0.8567 1.2418 1.2418 1.3906 1.3993 1.5568 1.5571 1.6408 1.6618 1.8805 1.8967 1.9548 1.9761 2.3229 2.3432 2.5211 2.5442 2.8774 2.8976 3.0430 3.0634 3.1004 3.1022 3.1829 3.2291 3.5376 3.5406 3.5794 3.5803 3.8751 3.8995 4.0618 4.0874 4.1120 4.1290 5.1302 5.1433 5.1922 5.1966 5.9897 6.0076 6.0789 6.0815 6.1757 6.1758 6.5459 6.5459 7.0681 7.0737 7.1011 7.1130 7.1789 7.1913 8.5208 8.5216 9.2435 9.2535 9.5277 9.5323 9.5855 9.5899 10.8701 10.8815 k = 0.5000 0.3703 0.0210 ( 6830 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6214 -6.6211 -6.3889 -6.3887 -5.9670 -5.9666 -5.9627 -5.9625 -0.8592 -0.8587 1.2400 1.2400 1.3930 1.3973 1.5577 1.5577 1.6487 1.6593 1.8860 1.8941 1.9590 1.9697 2.3269 2.3371 2.5262 2.5382 2.8864 2.8969 3.0515 3.0621 3.1021 3.1033 3.1971 3.2216 3.5403 3.5405 3.5759 3.5766 3.8839 3.8962 4.0675 4.0862 4.1061 4.1092 5.1333 5.1401 5.1944 5.1964 5.9998 6.0084 6.0851 6.0860 6.1694 6.1695 6.5445 6.5445 7.0734 7.0754 7.1034 7.1110 7.1785 7.1856 8.5229 8.5233 9.2348 9.2397 9.5234 9.5256 9.5817 9.5838 10.8636 10.8694 k = 0.5000 0.3703-0.0000 ( 6830 PWs) bands (ev): -15.5566 -15.5566 -15.5511 -15.5511 -14.5463 -14.5463 -14.5138 -14.5138 -14.5070 -14.5070 -6.6216 -6.6216 -6.3892 -6.3892 -5.9664 -5.9664 -5.9622 -5.9622 -0.8595 -0.8595 1.2394 1.2394 1.3952 1.3952 1.5579 1.5579 1.6549 1.6549 1.8906 1.8906 1.9640 1.9640 2.3316 2.3316 2.5321 2.5321 2.8930 2.8930 3.0580 3.0580 3.1031 3.1031 3.2106 3.2106 3.5408 3.5408 3.5752 3.5752 3.8909 3.8909 4.0773 4.0773 4.1036 4.1036 5.1367 5.1367 5.1958 5.1958 6.0058 6.0058 6.0876 6.0876 6.1672 6.1672 6.5440 6.5440 7.0754 7.0754 7.1074 7.1074 7.1809 7.1809 8.5237 8.5237 9.2335 9.2335 9.5226 9.5226 9.5811 9.5811 10.8634 10.8634 k = 0.0000 0.0000 0.8401 ( 6868 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4916 -6.4916 -6.1588 -6.1588 -6.1308 -6.1308 -6.1300 -6.1300 -0.6953 -0.6953 1.2852 1.2852 1.3598 1.3598 1.5266 1.5266 1.5871 1.5871 1.6833 1.6833 1.8266 1.8266 2.3128 2.3128 2.3309 2.3309 2.3717 2.3717 2.5711 2.5711 2.9226 2.9226 3.0570 3.0570 3.1079 3.1079 3.8716 3.8716 4.1510 4.1510 4.3593 4.3593 4.6554 4.6554 5.1463 5.1463 5.6256 5.6256 5.9608 5.9608 6.1997 6.1997 6.5608 6.5608 6.9577 6.9577 7.0862 7.0862 7.2604 7.2604 7.4486 7.4486 7.5029 7.5029 9.8999 9.8999 10.0558 10.0558 11.0074 11.0074 11.8306 11.8306 k = 0.0167 0.0123 0.8401 ( 6868 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4916 -6.4916 -6.1588 -6.1588 -6.1309 -6.1309 -6.1300 -6.1300 -0.6953 -0.6953 1.2853 1.2853 1.3595 1.3595 1.5266 1.5266 1.5877 1.5877 1.6832 1.6832 1.8275 1.8275 2.3118 2.3118 2.3307 2.3307 2.3714 2.3714 2.5717 2.5717 2.9206 2.9206 3.0570 3.0570 3.1078 3.1078 3.8739 3.8739 4.1522 4.1522 4.3592 4.3592 4.6540 4.6540 5.1483 5.1483 5.6257 5.6257 5.9586 5.9586 6.1994 6.1994 6.5612 6.5612 6.9553 6.9553 7.0862 7.0862 7.2606 7.2606 7.4479 7.4479 7.5057 7.5057 9.9015 9.9015 10.0567 10.0567 11.0060 11.0060 11.8290 11.8290 k = 0.0333 0.0247 0.8401 ( 6864 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4916 -6.4916 -6.1586 -6.1586 -6.1312 -6.1311 -6.1300 -6.1300 -0.6952 -0.6952 1.2855 1.2855 1.3585 1.3585 1.5266 1.5266 1.5894 1.5894 1.6830 1.6830 1.8303 1.8303 2.3082 2.3082 2.3302 2.3302 2.3704 2.3704 2.5734 2.5734 2.9148 2.9148 3.0570 3.0570 3.1074 3.1074 3.8807 3.8807 4.1559 4.1559 4.3587 4.3587 4.6501 4.6501 5.1544 5.1544 5.6262 5.6262 5.9522 5.9522 6.1983 6.1983 6.5623 6.5623 6.9482 6.9482 7.0862 7.0862 7.2613 7.2613 7.4456 7.4456 7.5138 7.5138 9.9058 9.9058 10.0598 10.0598 11.0019 11.0019 11.8239 11.8239 k = 0.0500 0.0370 0.8401 ( 6848 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4915 -6.4915 -6.1582 -6.1582 -6.1316 -6.1315 -6.1300 -6.1300 -0.6951 -0.6951 1.2859 1.2859 1.3569 1.3569 1.5265 1.5265 1.5923 1.5923 1.6827 1.6827 1.8350 1.8350 2.3017 2.3017 2.3299 2.3299 2.3691 2.3691 2.5763 2.5763 2.9054 2.9054 3.0572 3.0572 3.1067 3.1067 3.8918 3.8918 4.1618 4.1618 4.3579 4.3579 4.6435 4.6435 5.1645 5.1645 5.6269 5.6269 5.9414 5.9414 6.1967 6.1967 6.5641 6.5641 6.9370 6.9370 7.0864 7.0864 7.2625 7.2625 7.4417 7.4417 7.5267 7.5267 9.9118 9.9118 10.0661 10.0661 10.9947 10.9947 11.8149 11.8149 k = 0.0667 0.0494 0.8401 ( 6856 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4915 -6.4915 -6.1577 -6.1577 -6.1321 -6.1321 -6.1300 -6.1300 -0.6950 -0.6950 1.2864 1.2864 1.3548 1.3548 1.5264 1.5264 1.5959 1.5959 1.6821 1.6821 1.8415 1.8415 2.2918 2.2918 2.3299 2.3299 2.3677 2.3677 2.5802 2.5802 2.8930 2.8930 3.0574 3.0574 3.1056 3.1056 3.9067 3.9067 4.1696 4.1696 4.3568 4.3568 4.6345 4.6345 5.1786 5.1786 5.6278 5.6278 5.9265 5.9265 6.1946 6.1946 6.5666 6.5666 6.9225 6.9225 7.0866 7.0866 7.2642 7.2642 7.4362 7.4362 7.5435 7.5435 9.9177 9.9177 10.0772 10.0772 10.9842 10.9842 11.8012 11.8012 k = 0.0833 0.0617 0.8401 ( 6832 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4915 -6.4915 -6.1571 -6.1571 -6.1327 -6.1327 -6.1300 -6.1300 -0.6948 -0.6948 1.2871 1.2871 1.3524 1.3524 1.5263 1.5263 1.6004 1.6004 1.6814 1.6814 1.8501 1.8501 2.2786 2.2786 2.3302 2.3302 2.3664 2.3664 2.5853 2.5853 2.8781 2.8781 3.0578 3.0578 3.1041 3.1041 3.9250 3.9250 4.1789 4.1789 4.3555 4.3555 4.6232 4.6232 5.1966 5.1966 5.6289 5.6289 5.9076 5.9076 6.1921 6.1921 6.5700 6.5700 6.9055 6.9055 7.0871 7.0871 7.2664 7.2664 7.4295 7.4295 7.5631 7.5631 9.9219 9.9219 10.0947 10.0947 10.9700 10.9700 11.7831 11.7831 k = 0.1000 0.0741 0.8401 ( 6842 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4915 -6.4915 -6.1563 -6.1563 -6.1335 -6.1335 -6.1300 -6.1300 -0.6946 -0.6946 1.2879 1.2879 1.3496 1.3496 1.5262 1.5262 1.6052 1.6052 1.6805 1.6805 1.8607 1.8607 2.2623 2.2623 2.3307 2.3308 2.3653 2.3653 2.5913 2.5913 2.8614 2.8614 3.0582 3.0582 3.1020 3.1020 3.9461 3.9461 4.1893 4.1893 4.3537 4.3537 4.6097 4.6097 5.2184 5.2184 5.6301 5.6301 5.8848 5.8848 6.1892 6.1892 6.5738 6.5738 6.8869 6.8869 7.0877 7.0877 7.2692 7.2692 7.4216 7.4216 7.5842 7.5842 9.9233 9.9233 10.1196 10.1196 10.9515 10.9515 11.7619 11.7619 k = 0.1167 0.0864 0.8401 ( 6834 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4915 -6.4915 -6.1554 -6.1554 -6.1344 -6.1344 -6.1300 -6.1300 -0.6944 -0.6944 1.2888 1.2888 1.3467 1.3467 1.5261 1.5261 1.6103 1.6103 1.6795 1.6795 1.8734 1.8734 2.2434 2.2434 2.3315 2.3315 2.3643 2.3643 2.5984 2.5984 2.8433 2.8433 3.0587 3.0587 3.0997 3.0997 3.9694 3.9694 4.2003 4.2003 4.3518 4.3518 4.5945 4.5945 5.2438 5.2438 5.6313 5.6313 5.8585 5.8585 6.1861 6.1861 6.5784 6.5784 6.8675 6.8675 7.0885 7.0885 7.2724 7.2724 7.4130 7.4130 7.6060 7.6060 9.9217 9.9217 10.1516 10.1516 10.9284 10.9284 11.7393 11.7393 k = 0.1333 0.0988 0.8401 ( 6842 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4914 -6.4914 -6.1545 -6.1545 -6.1354 -6.1354 -6.1301 -6.1300 -0.6942 -0.6942 1.2897 1.2897 1.3438 1.3438 1.5259 1.5259 1.6153 1.6153 1.6783 1.6783 1.8881 1.8881 2.2222 2.2222 2.3323 2.3324 2.3635 2.3635 2.6066 2.6066 2.8243 2.8243 3.0593 3.0593 3.0972 3.0972 3.9940 3.9940 4.2115 4.2115 4.3495 4.3495 4.5777 4.5777 5.2726 5.2726 5.6323 5.6323 5.8291 5.8291 6.1830 6.1830 6.5836 6.5836 6.8480 6.8480 7.0894 7.0894 7.2760 7.2760 7.4038 7.4038 7.6275 7.6275 9.9179 9.9179 10.1901 10.1901 10.9003 10.9003 11.7173 11.7173 k = 0.1500 0.1111 0.8401 ( 6842 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4914 -6.4914 -6.1534 -6.1534 -6.1365 -6.1365 -6.1301 -6.1301 -0.6939 -0.6939 1.2907 1.2907 1.3409 1.3409 1.5257 1.5257 1.6201 1.6201 1.6770 1.6770 1.9050 1.9050 2.1990 2.1990 2.3332 2.3332 2.3629 2.3629 2.6158 2.6158 2.8049 2.8049 3.0601 3.0601 3.0945 3.0945 4.0192 4.0192 4.2224 4.2224 4.3471 4.3471 4.5601 4.5601 5.3045 5.3045 5.6329 5.6329 5.7970 5.7970 6.1799 6.1799 6.5892 6.5892 6.8290 6.8290 7.0903 7.0903 7.2801 7.2801 7.3945 7.3945 7.6478 7.6478 9.9127 9.9127 10.2339 10.2339 10.8670 10.8670 11.6971 11.6971 k = 0.1667 0.1234 0.8401 ( 6834 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4914 -6.4914 -6.1523 -6.1523 -6.1376 -6.1376 -6.1301 -6.1301 -0.6938 -0.6938 1.2917 1.2917 1.3383 1.3383 1.5256 1.5256 1.6247 1.6247 1.6757 1.6757 1.9237 1.9237 2.1744 2.1744 2.3341 2.3341 2.3623 2.3623 2.6261 2.6261 2.7853 2.7853 3.0610 3.0610 3.0919 3.0919 4.0440 4.0440 4.2327 4.2327 4.3446 4.3446 4.5421 4.5421 5.3391 5.3391 5.6327 5.6327 5.7631 5.7631 6.1771 6.1771 6.5952 6.5952 6.8112 6.8112 7.0912 7.0912 7.2846 7.2846 7.3853 7.3853 7.6662 7.6662 9.9068 9.9068 10.2820 10.2820 10.8288 10.8288 11.6797 11.6797 k = 0.1833 0.1358 0.8401 ( 6834 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4914 -6.4914 -6.1511 -6.1511 -6.1388 -6.1388 -6.1301 -6.1301 -0.6936 -0.6936 1.2927 1.2927 1.3359 1.3359 1.5255 1.5255 1.6287 1.6287 1.6743 1.6743 1.9443 1.9443 2.1488 2.1488 2.3349 2.3349 2.3618 2.3618 2.6376 2.6376 2.7660 2.7660 3.0618 3.0618 3.0893 3.0893 4.0674 4.0674 4.2418 4.2418 4.3421 4.3421 4.5247 4.5247 5.3761 5.3761 5.6305 5.6305 5.7287 5.7287 6.1746 6.1746 6.6012 6.6012 6.7951 6.7951 7.0920 7.0920 7.2893 7.2893 7.3765 7.3765 7.6822 7.6822 9.9011 9.9011 10.3330 10.3330 10.7860 10.7860 11.6656 11.6656 k = 0.2000 0.1481 0.8401 ( 6840 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4914 -6.4914 -6.1499 -6.1499 -6.1400 -6.1400 -6.1301 -6.1301 -0.6934 -0.6934 1.2936 1.2936 1.3338 1.3338 1.5254 1.5254 1.6321 1.6321 1.6730 1.6731 1.9664 1.9664 2.1224 2.1224 2.3356 2.3356 2.3614 2.3614 2.6501 2.6501 2.7470 2.7470 3.0627 3.0627 3.0871 3.0871 4.0880 4.0880 4.2494 4.2494 4.3399 4.3399 4.5088 4.5088 5.4149 5.4149 5.6236 5.6236 5.6971 5.6971 6.1726 6.1726 6.6068 6.6068 6.7814 6.7814 7.0927 7.0927 7.2939 7.2939 7.3684 7.3684 7.6951 7.6951 9.8960 9.8960 10.3859 10.3859 10.7397 10.7397 11.6550 11.6550 k = 0.2167 0.1605 0.8401 ( 6860 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4913 -6.4913 -6.1487 -6.1487 -6.1412 -6.1412 -6.1302 -6.1302 -0.6933 -0.6933 1.2943 1.2943 1.3323 1.3323 1.5253 1.5253 1.6346 1.6346 1.6719 1.6719 1.9899 1.9899 2.0958 2.0958 2.3361 2.3361 2.3611 2.3611 2.6637 2.6637 2.7286 2.7286 3.0634 3.0634 3.0853 3.0853 4.1043 4.1043 4.2550 4.2550 4.3382 4.3382 4.4960 4.4960 5.4549 5.4549 5.6060 5.6060 5.6750 5.6750 6.1710 6.1710 6.6115 6.6115 6.7708 6.7708 7.0932 7.0932 7.2981 7.2981 7.3616 7.3616 7.7047 7.7047 9.8921 9.8921 10.4385 10.4385 10.6918 10.6918 11.6477 11.6477 k = 0.2333 0.1728 0.8401 ( 6870 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4913 -6.4913 -6.1477 -6.1477 -6.1422 -6.1422 -6.1302 -6.1302 -0.6933 -0.6933 1.2947 1.2947 1.3313 1.3313 1.5252 1.5252 1.6362 1.6362 1.6712 1.6712 2.0140 2.0140 2.0698 2.0698 2.3364 2.3364 2.3609 2.3609 2.6784 2.6784 2.7111 2.7111 3.0639 3.0639 3.0842 3.0842 4.1149 4.1149 4.2585 4.2585 4.3371 4.3371 4.4875 4.4875 5.4950 5.4950 5.5760 5.5760 5.6651 5.6651 6.1700 6.1700 6.6147 6.6147 6.7640 6.7640 7.0935 7.0935 7.3012 7.3012 7.3569 7.3569 7.7105 7.7105 9.8896 9.8896 10.4861 10.4861 10.6469 10.6469 11.6434 11.6434 k = 0.2500 0.1852 0.8401 ( 6864 PWs) bands (ev): -15.5567 -15.5567 -15.5511 -15.5511 -14.5467 -14.5467 -14.5138 -14.5138 -14.5068 -14.5068 -6.4913 -6.4913 -6.1473 -6.1472 -6.1427 -6.1427 -6.1302 -6.1302 -0.6932 -0.6932 1.2949 1.2949 1.3310 1.3310 1.5252 1.5252 1.6368 1.6368 1.6709 1.6709 2.0320 2.0320 2.0511 2.0511 2.3365 2.3365 2.3609 2.3609 2.6928 2.6928 2.6957 2.6957 3.0641 3.0641 3.0838 3.0838 4.1186 4.1186 4.2597 4.2597 4.3367 4.3367 4.4845 4.4845 5.5263 5.5263 5.5472 5.5472 5.6627 5.6627 6.1697 6.1697 6.6158 6.6158 6.7617 6.7617 7.0936 7.0936 7.3026 7.3026 7.3550 7.3550 7.7125 7.7125 9.8887 9.8887 10.5104 10.5104 10.6236 10.6236 11.6420 11.6420 Writing output data file FeAg2SnS4.save init_run : 1.52s CPU 0.91s WALL ( 1 calls) electrons : 505.65s CPU 413.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 505.64s CPU 413.39s 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 : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.49s CPU 0.25s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.32s CPU 0.47s WALL ( 272 calls) cegterg : 418.40s CPU 365.23s WALL ( 353 calls) Called by sum_band: Called by *egterg: h_psi : 311.54s CPU 231.59s WALL ( 5727 calls) s_psi : 23.80s CPU 19.59s WALL ( 5727 calls) g_psi : 0.26s CPU 0.24s WALL ( 5102 calls) cdiaghg : 128.51s CPU 124.74s WALL ( 5374 calls) cegterg:over : 13.75s CPU 13.53s WALL ( 5102 calls) cegterg:upda : 8.44s CPU 8.31s WALL ( 5102 calls) cegterg:last : 4.55s CPU 4.64s WALL ( 897 calls) cdiaghg:chol : 5.48s CPU 5.42s WALL ( 5374 calls) cdiaghg:inve : 3.76s CPU 3.91s WALL ( 5374 calls) cdiaghg:para : 7.61s CPU 7.64s WALL ( 10748 calls) Called by h_psi: h_psi:vloc : 273.36s CPU 200.33s WALL ( 5727 calls) h_psi:vnl : 37.81s CPU 31.00s WALL ( 5727 calls) add_vuspsi : 22.07s CPU 17.70s WALL ( 5727 calls) General routines calbec : 15.69s CPU 13.28s WALL ( 5727 calls) fft : 0.09s CPU 0.07s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 265.52s CPU 193.87s WALL ( 995640 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.36s CPU 0.93s WALL ( 544 calls) Parallel routines fft_scatter : 152.68s CPU 126.01s WALL ( 995663 calls) PWSCF : 9m 9.94s CPU 7m56.04s WALL This run was terminated on: 12:30: 9 15Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=