Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:58 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 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NaNiIO6.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 45 12 2026 1519 228 Max 55 46 13 2033 1536 235 Sum 1957 1627 463 72967 54909 8337 bravais-lattice index = 14 lattice parameter (alat) = 9.3768 a.u. unit-cell volume = 740.7629 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 4 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.376820 celldm(2)= 1.000000 celldm(3)= 1.037485 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.037485 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.963869 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) Ni 10.00 58.69340 Ni( 1.00) I 7.00 126.90450 I( 1.00) 6 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 = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0032680 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0032680 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0032680 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0032680 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0032680 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0032680 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0032680 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0032680 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0032680 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0032680 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0032680 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0032680 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0032680 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0032680 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0032680 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0032680 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0032680 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0032680 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0032680 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0032680 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0032680 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0032680 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0032680 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0032680 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0032680 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0032680 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0032680 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0032680 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0032680 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0032680 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0032680 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0032680 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0032680 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0032680 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 40) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0032680 k( 41) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0032680 k( 42) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0032680 k( 43) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0032680 k( 44) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0032680 k( 45) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0032680 k( 46) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0032680 k( 47) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0032680 k( 48) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0032680 k( 49) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0032680 k( 50) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032680 k( 51) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0032680 k( 52) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0032680 k( 53) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0032680 k( 54) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0032680 k( 55) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0032680 k( 56) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0032680 k( 57) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0032680 k( 58) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0032680 k( 59) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0032680 k( 60) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0032680 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 63) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0032680 k( 64) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0032680 k( 65) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0032680 k( 66) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0032680 k( 67) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0032680 k( 68) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0032680 k( 69) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0032680 k( 70) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0032680 k( 71) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0032680 k( 72) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0032680 k( 73) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0032680 k( 74) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0032680 k( 75) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0032680 k( 76) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0032680 k( 77) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0032680 k( 78) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0032680 k( 79) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0032680 k( 80) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0032680 k( 81) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0032680 k( 82) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0032680 k( 83) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0032680 k( 84) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0032680 k( 85) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0032680 k( 86) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0032680 k( 87) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0032680 k( 88) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0032680 k( 89) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0032680 k( 90) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0032680 k( 91) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0032680 k( 92) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0032680 k( 93) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0032680 k( 94) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0032680 k( 95) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0032680 k( 96) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0032680 k( 97) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0032680 k( 98) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0032680 k( 99) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0032680 k( 100) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0032680 k( 101) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0032680 k( 102) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0032680 k( 103) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0032680 k( 104) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0032680 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 107) = ( 0.0000000 0.0000000 0.0155463), wk = 0.0032680 k( 108) = ( 0.0000000 0.0000000 0.0310926), wk = 0.0032680 k( 109) = ( 0.0000000 0.0000000 0.0466388), wk = 0.0032680 k( 110) = ( 0.0000000 0.0000000 0.0621851), wk = 0.0032680 k( 111) = ( 0.0000000 0.0000000 0.0777314), wk = 0.0032680 k( 112) = ( 0.0000000 0.0000000 0.0932777), wk = 0.0032680 k( 113) = ( 0.0000000 0.0000000 0.1088240), wk = 0.0032680 k( 114) = ( 0.0000000 0.0000000 0.1243703), wk = 0.0032680 k( 115) = ( 0.0000000 0.0000000 0.1399165), wk = 0.0032680 k( 116) = ( 0.0000000 0.0000000 0.1554628), wk = 0.0032680 k( 117) = ( 0.0000000 0.0000000 0.1710091), wk = 0.0032680 k( 118) = ( 0.0000000 0.0000000 0.1865554), wk = 0.0032680 k( 119) = ( 0.0000000 0.0000000 0.2021017), wk = 0.0032680 k( 120) = ( 0.0000000 0.0000000 0.2176479), wk = 0.0032680 k( 121) = ( 0.0000000 0.0000000 0.2331942), wk = 0.0032680 k( 122) = ( 0.0000000 0.0000000 0.2487405), wk = 0.0032680 k( 123) = ( 0.0000000 0.0000000 0.2642868), wk = 0.0032680 k( 124) = ( 0.0000000 0.0000000 0.2798331), wk = 0.0032680 k( 125) = ( 0.0000000 0.0000000 0.2953793), wk = 0.0032680 k( 126) = ( 0.0000000 0.0000000 0.3109256), wk = 0.0032680 k( 127) = ( 0.0000000 0.0000000 0.3264719), wk = 0.0032680 k( 128) = ( 0.0000000 0.0000000 0.3420182), wk = 0.0032680 k( 129) = ( 0.0000000 0.0000000 0.3575645), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.3731108), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.3886570), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.4042033), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.4197496), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.4352959), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.4508422), wk = 0.0032680 k( 136) = ( 0.0000000 0.0000000 0.4663885), wk = 0.0032680 k( 137) = ( 0.0000000 0.0000000 0.4819347), wk = 0.0032680 k( 138) = ( 0.0000000 0.0000000 0.4819347), wk = 0.0032680 k( 139) = ( 0.0135135 0.0078020 0.4819347), wk = 0.0032680 k( 140) = ( 0.0270270 0.0156041 0.4819347), wk = 0.0032680 k( 141) = ( 0.0405405 0.0234061 0.4819347), wk = 0.0032680 k( 142) = ( 0.0540540 0.0312081 0.4819347), wk = 0.0032680 k( 143) = ( 0.0675676 0.0390102 0.4819347), wk = 0.0032680 k( 144) = ( 0.0810811 0.0468122 0.4819347), wk = 0.0032680 k( 145) = ( 0.0945946 0.0546142 0.4819347), wk = 0.0032680 k( 146) = ( 0.1081081 0.0624162 0.4819347), wk = 0.0032680 k( 147) = ( 0.1216216 0.0702183 0.4819347), wk = 0.0032680 k( 148) = ( 0.1351351 0.0780203 0.4819347), wk = 0.0032680 k( 149) = ( 0.1486486 0.0858223 0.4819347), wk = 0.0032680 k( 150) = ( 0.1621622 0.0936244 0.4819347), wk = 0.0032680 k( 151) = ( 0.1756757 0.1014264 0.4819347), wk = 0.0032680 k( 152) = ( 0.1891892 0.1092284 0.4819347), wk = 0.0032680 k( 153) = ( 0.2027027 0.1170305 0.4819347), wk = 0.0032680 k( 154) = ( 0.2162162 0.1248325 0.4819347), wk = 0.0032680 k( 155) = ( 0.2297297 0.1326345 0.4819347), wk = 0.0032680 k( 156) = ( 0.2432432 0.1404366 0.4819347), wk = 0.0032680 k( 157) = ( 0.2567568 0.1482386 0.4819347), wk = 0.0032680 k( 158) = ( 0.2702703 0.1560406 0.4819347), wk = 0.0032680 k( 159) = ( 0.2837838 0.1638426 0.4819347), wk = 0.0032680 k( 160) = ( 0.2972973 0.1716447 0.4819347), wk = 0.0032680 k( 161) = ( 0.3108108 0.1794467 0.4819347), wk = 0.0032680 k( 162) = ( 0.3243243 0.1872487 0.4819347), wk = 0.0032680 k( 163) = ( 0.3378378 0.1950508 0.4819347), wk = 0.0032680 k( 164) = ( 0.3513514 0.2028528 0.4819347), wk = 0.0032680 k( 165) = ( 0.3648649 0.2106548 0.4819347), wk = 0.0032680 k( 166) = ( 0.3783784 0.2184569 0.4819347), wk = 0.0032680 k( 167) = ( 0.3918919 0.2262589 0.4819347), wk = 0.0032680 k( 168) = ( 0.4054054 0.2340609 0.4819347), wk = 0.0032680 k( 169) = ( 0.4189189 0.2418630 0.4819347), wk = 0.0032680 k( 170) = ( 0.4324324 0.2496650 0.4819347), wk = 0.0032680 k( 171) = ( 0.4459459 0.2574670 0.4819347), wk = 0.0032680 k( 172) = ( 0.4594595 0.2652690 0.4819347), wk = 0.0032680 k( 173) = ( 0.4729730 0.2730711 0.4819347), wk = 0.0032680 k( 174) = ( 0.4864865 0.2808731 0.4819347), wk = 0.0032680 k( 175) = ( 0.5000000 0.2886751 0.4819347), wk = 0.0032680 k( 176) = ( 0.5000000 0.2886751 0.4819347), wk = 0.0032680 k( 177) = ( 0.4924242 0.3017967 0.4819347), wk = 0.0032680 k( 178) = ( 0.4848485 0.3149183 0.4819347), wk = 0.0032680 k( 179) = ( 0.4772727 0.3280399 0.4819347), wk = 0.0032680 k( 180) = ( 0.4696970 0.3411615 0.4819347), wk = 0.0032680 k( 181) = ( 0.4621212 0.3542831 0.4819347), wk = 0.0032680 k( 182) = ( 0.4545455 0.3674047 0.4819347), wk = 0.0032680 k( 183) = ( 0.4469697 0.3805263 0.4819347), wk = 0.0032680 k( 184) = ( 0.4393939 0.3936479 0.4819347), wk = 0.0032680 k( 185) = ( 0.4318182 0.4067695 0.4819347), wk = 0.0032680 k( 186) = ( 0.4242424 0.4198911 0.4819347), wk = 0.0032680 k( 187) = ( 0.4166667 0.4330127 0.4819347), wk = 0.0032680 k( 188) = ( 0.4090909 0.4461343 0.4819347), wk = 0.0032680 k( 189) = ( 0.4015151 0.4592559 0.4819347), wk = 0.0032680 k( 190) = ( 0.3939394 0.4723775 0.4819347), wk = 0.0032680 k( 191) = ( 0.3863636 0.4854991 0.4819347), wk = 0.0032680 k( 192) = ( 0.3787879 0.4986207 0.4819347), wk = 0.0032680 k( 193) = ( 0.3712121 0.5117423 0.4819347), wk = 0.0032680 k( 194) = ( 0.3636364 0.5248639 0.4819347), wk = 0.0032680 k( 195) = ( 0.3560606 0.5379855 0.4819347), wk = 0.0032680 k( 196) = ( 0.3484849 0.5511071 0.4819347), wk = 0.0032680 k( 197) = ( 0.3409091 0.5642287 0.4819347), wk = 0.0032680 k( 198) = ( 0.3333333 0.5773503 0.4819347), wk = 0.0032680 k( 199) = ( 0.3333333 0.5773503 0.4819347), wk = 0.0032680 k( 200) = ( 0.3255814 0.5639235 0.4819347), wk = 0.0032680 k( 201) = ( 0.3178295 0.5504968 0.4819347), wk = 0.0032680 k( 202) = ( 0.3100775 0.5370700 0.4819347), wk = 0.0032680 k( 203) = ( 0.3023256 0.5236433 0.4819347), wk = 0.0032680 k( 204) = ( 0.2945736 0.5102165 0.4819347), wk = 0.0032680 k( 205) = ( 0.2868217 0.4967898 0.4819347), wk = 0.0032680 k( 206) = ( 0.2790698 0.4833630 0.4819347), wk = 0.0032680 k( 207) = ( 0.2713178 0.4699363 0.4819347), wk = 0.0032680 k( 208) = ( 0.2635659 0.4565095 0.4819347), wk = 0.0032680 k( 209) = ( 0.2558140 0.4430828 0.4819347), wk = 0.0032680 k( 210) = ( 0.2480620 0.4296560 0.4819347), wk = 0.0032680 k( 211) = ( 0.2403101 0.4162293 0.4819347), wk = 0.0032680 k( 212) = ( 0.2325581 0.4028025 0.4819347), wk = 0.0032680 k( 213) = ( 0.2248062 0.3893758 0.4819347), wk = 0.0032680 k( 214) = ( 0.2170543 0.3759490 0.4819347), wk = 0.0032680 k( 215) = ( 0.2093023 0.3625223 0.4819347), wk = 0.0032680 k( 216) = ( 0.2015504 0.3490955 0.4819347), wk = 0.0032680 k( 217) = ( 0.1937985 0.3356688 0.4819347), wk = 0.0032680 k( 218) = ( 0.1860465 0.3222420 0.4819347), wk = 0.0032680 k( 219) = ( 0.1782946 0.3088153 0.4819347), wk = 0.0032680 k( 220) = ( 0.1705426 0.2953885 0.4819347), wk = 0.0032680 k( 221) = ( 0.1627907 0.2819618 0.4819347), wk = 0.0032680 k( 222) = ( 0.1550388 0.2685350 0.4819347), wk = 0.0032680 k( 223) = ( 0.1472868 0.2551083 0.4819347), wk = 0.0032680 k( 224) = ( 0.1395349 0.2416815 0.4819347), wk = 0.0032680 k( 225) = ( 0.1317830 0.2282548 0.4819347), wk = 0.0032680 k( 226) = ( 0.1240310 0.2148280 0.4819347), wk = 0.0032680 k( 227) = ( 0.1162791 0.2014013 0.4819347), wk = 0.0032680 k( 228) = ( 0.1085271 0.1879745 0.4819347), wk = 0.0032680 k( 229) = ( 0.1007752 0.1745477 0.4819347), wk = 0.0032680 k( 230) = ( 0.0930233 0.1611210 0.4819347), wk = 0.0032680 k( 231) = ( 0.0852713 0.1476943 0.4819347), wk = 0.0032680 k( 232) = ( 0.0775194 0.1342675 0.4819347), wk = 0.0032680 k( 233) = ( 0.0697674 0.1208408 0.4819347), wk = 0.0032680 k( 234) = ( 0.0620155 0.1074140 0.4819347), wk = 0.0032680 k( 235) = ( 0.0542636 0.0939873 0.4819347), wk = 0.0032680 k( 236) = ( 0.0465116 0.0805605 0.4819347), wk = 0.0032680 k( 237) = ( 0.0387597 0.0671338 0.4819347), wk = 0.0032680 k( 238) = ( 0.0310078 0.0537070 0.4819347), wk = 0.0032680 k( 239) = ( 0.0232558 0.0402802 0.4819347), wk = 0.0032680 k( 240) = ( 0.0155039 0.0268535 0.4819347), wk = 0.0032680 k( 241) = ( 0.0077519 0.0134268 0.4819347), wk = 0.0032680 k( 242) = ( 0.0000000 0.0000000 0.4819347), wk = 0.0032680 k( 243) = ( 0.5000000 0.2886751 0.4819347), wk = 0.0032680 k( 244) = ( 0.5000000 0.2886751 0.4663885), wk = 0.0032680 k( 245) = ( 0.5000000 0.2886751 0.4508422), wk = 0.0032680 k( 246) = ( 0.5000000 0.2886751 0.4352959), wk = 0.0032680 k( 247) = ( 0.5000000 0.2886751 0.4197496), wk = 0.0032680 k( 248) = ( 0.5000000 0.2886751 0.4042033), wk = 0.0032680 k( 249) = ( 0.5000000 0.2886751 0.3886570), wk = 0.0032680 k( 250) = ( 0.5000000 0.2886751 0.3731108), wk = 0.0032680 k( 251) = ( 0.5000000 0.2886751 0.3575645), wk = 0.0032680 k( 252) = ( 0.5000000 0.2886751 0.3420182), wk = 0.0032680 k( 253) = ( 0.5000000 0.2886751 0.3264719), wk = 0.0032680 k( 254) = ( 0.5000000 0.2886751 0.3109256), wk = 0.0032680 k( 255) = ( 0.5000000 0.2886751 0.2953793), wk = 0.0032680 k( 256) = ( 0.5000000 0.2886751 0.2798331), wk = 0.0032680 k( 257) = ( 0.5000000 0.2886751 0.2642868), wk = 0.0032680 k( 258) = ( 0.5000000 0.2886751 0.2487405), wk = 0.0032680 k( 259) = ( 0.5000000 0.2886751 0.2331942), wk = 0.0032680 k( 260) = ( 0.5000000 0.2886751 0.2176479), wk = 0.0032680 k( 261) = ( 0.5000000 0.2886751 0.2021017), wk = 0.0032680 k( 262) = ( 0.5000000 0.2886751 0.1865554), wk = 0.0032680 k( 263) = ( 0.5000000 0.2886751 0.1710091), wk = 0.0032680 k( 264) = ( 0.5000000 0.2886751 0.1554628), wk = 0.0032680 k( 265) = ( 0.5000000 0.2886751 0.1399165), wk = 0.0032680 k( 266) = ( 0.5000000 0.2886751 0.1243703), wk = 0.0032680 k( 267) = ( 0.5000000 0.2886751 0.1088240), wk = 0.0032680 k( 268) = ( 0.5000000 0.2886751 0.0932777), wk = 0.0032680 k( 269) = ( 0.5000000 0.2886751 0.0777314), wk = 0.0032680 k( 270) = ( 0.5000000 0.2886751 0.0621851), wk = 0.0032680 k( 271) = ( 0.5000000 0.2886751 0.0466388), wk = 0.0032680 k( 272) = ( 0.5000000 0.2886751 0.0310926), wk = 0.0032680 k( 273) = ( 0.5000000 0.2886751 0.0155463), wk = 0.0032680 k( 274) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 275) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 276) = ( 0.3333333 0.5773503 0.0155463), wk = 0.0032680 k( 277) = ( 0.3333333 0.5773503 0.0310926), wk = 0.0032680 k( 278) = ( 0.3333333 0.5773503 0.0466388), wk = 0.0032680 k( 279) = ( 0.3333333 0.5773503 0.0621851), wk = 0.0032680 k( 280) = ( 0.3333333 0.5773503 0.0777314), wk = 0.0032680 k( 281) = ( 0.3333333 0.5773503 0.0932777), wk = 0.0032680 k( 282) = ( 0.3333333 0.5773503 0.1088240), wk = 0.0032680 k( 283) = ( 0.3333333 0.5773503 0.1243703), wk = 0.0032680 k( 284) = ( 0.3333333 0.5773503 0.1399165), wk = 0.0032680 k( 285) = ( 0.3333333 0.5773503 0.1554628), wk = 0.0032680 k( 286) = ( 0.3333333 0.5773503 0.1710091), wk = 0.0032680 k( 287) = ( 0.3333333 0.5773503 0.1865554), wk = 0.0032680 k( 288) = ( 0.3333333 0.5773503 0.2021017), wk = 0.0032680 k( 289) = ( 0.3333333 0.5773503 0.2176479), wk = 0.0032680 k( 290) = ( 0.3333333 0.5773503 0.2331942), wk = 0.0032680 k( 291) = ( 0.3333333 0.5773503 0.2487405), wk = 0.0032680 k( 292) = ( 0.3333333 0.5773503 0.2642868), wk = 0.0032680 k( 293) = ( 0.3333333 0.5773503 0.2798331), wk = 0.0032680 k( 294) = ( 0.3333333 0.5773503 0.2953793), wk = 0.0032680 k( 295) = ( 0.3333333 0.5773503 0.3109256), wk = 0.0032680 k( 296) = ( 0.3333333 0.5773503 0.3264719), wk = 0.0032680 k( 297) = ( 0.3333333 0.5773503 0.3420182), wk = 0.0032680 k( 298) = ( 0.3333333 0.5773503 0.3575645), wk = 0.0032680 k( 299) = ( 0.3333333 0.5773503 0.3731108), wk = 0.0032680 k( 300) = ( 0.3333333 0.5773503 0.3886570), wk = 0.0032680 k( 301) = ( 0.3333333 0.5773503 0.4042033), wk = 0.0032680 k( 302) = ( 0.3333333 0.5773503 0.4197496), wk = 0.0032680 k( 303) = ( 0.3333333 0.5773503 0.4352959), wk = 0.0032680 k( 304) = ( 0.3333333 0.5773503 0.4508422), wk = 0.0032680 k( 305) = ( 0.3333333 0.5773503 0.4663885), wk = 0.0032680 k( 306) = ( 0.3333333 0.5773503 0.4819347), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0135135 -0.0000000 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0270270 -0.0000000 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0405405 -0.0000000 0.0000000), wk = 0.0032680 k( 5) = ( 0.0540540 -0.0000000 -0.0000000), wk = 0.0032680 k( 6) = ( 0.0675676 -0.0000000 -0.0000000), wk = 0.0032680 k( 7) = ( 0.0810811 -0.0000000 0.0000000), wk = 0.0032680 k( 8) = ( 0.0945946 -0.0000000 -0.0000000), wk = 0.0032680 k( 9) = ( 0.1081081 -0.0000000 -0.0000000), wk = 0.0032680 k( 10) = ( 0.1216216 -0.0000000 -0.0000000), wk = 0.0032680 k( 11) = ( 0.1351351 -0.0000000 -0.0000000), wk = 0.0032680 k( 12) = ( 0.1486486 -0.0000000 -0.0000000), wk = 0.0032680 k( 13) = ( 0.1621622 -0.0000000 0.0000000), wk = 0.0032680 k( 14) = ( 0.1756757 -0.0000000 -0.0000000), wk = 0.0032680 k( 15) = ( 0.1891892 -0.0000000 -0.0000000), wk = 0.0032680 k( 16) = ( 0.2027027 -0.0000000 0.0000000), wk = 0.0032680 k( 17) = ( 0.2162162 -0.0000000 -0.0000000), wk = 0.0032680 k( 18) = ( 0.2297297 -0.0000000 -0.0000000), wk = 0.0032680 k( 19) = ( 0.2432432 -0.0000000 -0.0000000), wk = 0.0032680 k( 20) = ( 0.2567568 -0.0000000 -0.0000000), wk = 0.0032680 k( 21) = ( 0.2702703 -0.0000000 -0.0000000), wk = 0.0032680 k( 22) = ( 0.2837838 -0.0000000 -0.0000000), wk = 0.0032680 k( 23) = ( 0.2972973 -0.0000000 -0.0000000), wk = 0.0032680 k( 24) = ( 0.3108108 -0.0000000 0.0000000), wk = 0.0032680 k( 25) = ( 0.3243243 -0.0000000 0.0000000), wk = 0.0032680 k( 26) = ( 0.3378378 -0.0000000 -0.0000000), wk = 0.0032680 k( 27) = ( 0.3513514 -0.0000000 -0.0000000), wk = 0.0032680 k( 28) = ( 0.3648649 -0.0000000 -0.0000000), wk = 0.0032680 k( 29) = ( 0.3783784 -0.0000000 -0.0000000), wk = 0.0032680 k( 30) = ( 0.3918919 -0.0000000 -0.0000000), wk = 0.0032680 k( 31) = ( 0.4054054 -0.0000000 -0.0000000), wk = 0.0032680 k( 32) = ( 0.4189189 -0.0000000 0.0000000), wk = 0.0032680 k( 33) = ( 0.4324324 -0.0000000 -0.0000000), wk = 0.0032680 k( 34) = ( 0.4459459 -0.0000000 -0.0000000), wk = 0.0032680 k( 35) = ( 0.4594595 -0.0000000 -0.0000000), wk = 0.0032680 k( 36) = ( 0.4729730 -0.0000000 -0.0000000), wk = 0.0032680 k( 37) = ( 0.4864865 -0.0000000 -0.0000000), wk = 0.0032680 k( 38) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032680 k( 39) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032680 k( 40) = ( 0.4924242 0.0151515 -0.0000000), wk = 0.0032680 k( 41) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0032680 k( 42) = ( 0.4772727 0.0454545 -0.0000000), wk = 0.0032680 k( 43) = ( 0.4696970 0.0606061 -0.0000000), wk = 0.0032680 k( 44) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0032680 k( 45) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0032680 k( 46) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0032680 k( 47) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0032680 k( 48) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0032680 k( 49) = ( 0.4242424 0.1515152 -0.0000000), wk = 0.0032680 k( 50) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0032680 k( 51) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0032680 k( 52) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0032680 k( 53) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0032680 k( 54) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0032680 k( 55) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0032680 k( 56) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0032680 k( 57) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0032680 k( 58) = ( 0.3560606 0.2878788 -0.0000000), wk = 0.0032680 k( 59) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0032680 k( 60) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0032680 k( 61) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032680 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032680 k( 63) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0032680 k( 64) = ( 0.3178295 0.3178295 0.0000000), wk = 0.0032680 k( 65) = ( 0.3100775 0.3100775 -0.0000000), wk = 0.0032680 k( 66) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0032680 k( 67) = ( 0.2945736 0.2945736 -0.0000000), wk = 0.0032680 k( 68) = ( 0.2868217 0.2868217 -0.0000000), wk = 0.0032680 k( 69) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0032680 k( 70) = ( 0.2713178 0.2713178 -0.0000000), wk = 0.0032680 k( 71) = ( 0.2635659 0.2635659 -0.0000000), wk = 0.0032680 k( 72) = ( 0.2558140 0.2558139 0.0000000), wk = 0.0032680 k( 73) = ( 0.2480620 0.2480620 -0.0000000), wk = 0.0032680 k( 74) = ( 0.2403101 0.2403101 -0.0000000), wk = 0.0032680 k( 75) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0032680 k( 76) = ( 0.2248062 0.2248062 -0.0000000), wk = 0.0032680 k( 77) = ( 0.2170543 0.2170543 -0.0000000), wk = 0.0032680 k( 78) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0032680 k( 79) = ( 0.2015504 0.2015504 -0.0000000), wk = 0.0032680 k( 80) = ( 0.1937985 0.1937984 -0.0000000), wk = 0.0032680 k( 81) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0032680 k( 82) = ( 0.1782946 0.1782946 0.0000000), wk = 0.0032680 k( 83) = ( 0.1705426 0.1705426 -0.0000000), wk = 0.0032680 k( 84) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0032680 k( 85) = ( 0.1550388 0.1550388 -0.0000000), wk = 0.0032680 k( 86) = ( 0.1472868 0.1472868 -0.0000000), wk = 0.0032680 k( 87) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0032680 k( 88) = ( 0.1317830 0.1317830 -0.0000000), wk = 0.0032680 k( 89) = ( 0.1240310 0.1240310 -0.0000000), wk = 0.0032680 k( 90) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0032680 k( 91) = ( 0.1085271 0.1085271 -0.0000000), wk = 0.0032680 k( 92) = ( 0.1007752 0.1007752 -0.0000000), wk = 0.0032680 k( 93) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0032680 k( 94) = ( 0.0852713 0.0852713 -0.0000000), wk = 0.0032680 k( 95) = ( 0.0775194 0.0775194 -0.0000000), wk = 0.0032680 k( 96) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0032680 k( 97) = ( 0.0620155 0.0620155 -0.0000000), wk = 0.0032680 k( 98) = ( 0.0542636 0.0542636 -0.0000000), wk = 0.0032680 k( 99) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0032680 k( 100) = ( 0.0387597 0.0387597 -0.0000000), wk = 0.0032680 k( 101) = ( 0.0310078 0.0310077 -0.0000000), wk = 0.0032680 k( 102) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0032680 k( 103) = ( 0.0155039 0.0155039 0.0000000), wk = 0.0032680 k( 104) = ( 0.0077519 0.0077519 0.0000000), wk = 0.0032680 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 107) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0032680 k( 108) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0032680 k( 109) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0032680 k( 110) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0032680 k( 111) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0032680 k( 112) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0032680 k( 113) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0032680 k( 114) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0032680 k( 115) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0032680 k( 116) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0032680 k( 117) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0032680 k( 118) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0032680 k( 119) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0032680 k( 120) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0032680 k( 121) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0032680 k( 122) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0032680 k( 123) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0032680 k( 124) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0032680 k( 125) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0032680 k( 126) = ( 0.0000000 0.0000000 0.3225806), wk = 0.0032680 k( 127) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0032680 k( 128) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0032680 k( 129) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0032680 k( 136) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0032680 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 139) = ( 0.0135135 -0.0000000 0.5000000), wk = 0.0032680 k( 140) = ( 0.0270270 -0.0000000 0.5000000), wk = 0.0032680 k( 141) = ( 0.0405405 -0.0000000 0.5000000), wk = 0.0032680 k( 142) = ( 0.0540540 -0.0000000 0.5000000), wk = 0.0032680 k( 143) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0032680 k( 144) = ( 0.0810811 -0.0000000 0.5000000), wk = 0.0032680 k( 145) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0032680 k( 146) = ( 0.1081081 -0.0000000 0.5000000), wk = 0.0032680 k( 147) = ( 0.1216216 -0.0000000 0.5000000), wk = 0.0032680 k( 148) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0032680 k( 149) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0032680 k( 150) = ( 0.1621622 -0.0000000 0.5000000), wk = 0.0032680 k( 151) = ( 0.1756757 -0.0000000 0.5000000), wk = 0.0032680 k( 152) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0032680 k( 153) = ( 0.2027027 -0.0000000 0.5000000), wk = 0.0032680 k( 154) = ( 0.2162162 -0.0000000 0.5000000), wk = 0.0032680 k( 155) = ( 0.2297297 -0.0000000 0.5000000), wk = 0.0032680 k( 156) = ( 0.2432432 -0.0000000 0.5000000), wk = 0.0032680 k( 157) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0032680 k( 158) = ( 0.2702703 -0.0000000 0.5000000), wk = 0.0032680 k( 159) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0032680 k( 160) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0032680 k( 161) = ( 0.3108108 -0.0000000 0.5000000), wk = 0.0032680 k( 162) = ( 0.3243243 -0.0000000 0.5000000), wk = 0.0032680 k( 163) = ( 0.3378378 -0.0000000 0.5000000), wk = 0.0032680 k( 164) = ( 0.3513514 -0.0000000 0.5000000), wk = 0.0032680 k( 165) = ( 0.3648649 -0.0000000 0.5000000), wk = 0.0032680 k( 166) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0032680 k( 167) = ( 0.3918919 -0.0000000 0.5000000), wk = 0.0032680 k( 168) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0032680 k( 169) = ( 0.4189189 -0.0000000 0.5000000), wk = 0.0032680 k( 170) = ( 0.4324324 -0.0000000 0.5000000), wk = 0.0032680 k( 171) = ( 0.4459459 -0.0000000 0.5000000), wk = 0.0032680 k( 172) = ( 0.4594595 -0.0000000 0.5000000), wk = 0.0032680 k( 173) = ( 0.4729730 -0.0000000 0.5000000), wk = 0.0032680 k( 174) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0032680 k( 175) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032680 k( 176) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032680 k( 177) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0032680 k( 178) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0032680 k( 179) = ( 0.4772727 0.0454545 0.5000000), wk = 0.0032680 k( 180) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0032680 k( 181) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0032680 k( 182) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0032680 k( 183) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0032680 k( 184) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0032680 k( 185) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0032680 k( 186) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0032680 k( 187) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032680 k( 188) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0032680 k( 189) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0032680 k( 190) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0032680 k( 191) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0032680 k( 192) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0032680 k( 193) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0032680 k( 194) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0032680 k( 195) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0032680 k( 196) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0032680 k( 197) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0032680 k( 198) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 k( 200) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0032680 k( 201) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0032680 k( 202) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0032680 k( 203) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0032680 k( 204) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0032680 k( 205) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0032680 k( 206) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0032680 k( 207) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0032680 k( 208) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0032680 k( 209) = ( 0.2558140 0.2558139 0.5000000), wk = 0.0032680 k( 210) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0032680 k( 211) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0032680 k( 212) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0032680 k( 213) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0032680 k( 214) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0032680 k( 215) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0032680 k( 216) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0032680 k( 217) = ( 0.1937985 0.1937984 0.5000000), wk = 0.0032680 k( 218) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0032680 k( 219) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0032680 k( 220) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0032680 k( 221) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0032680 k( 222) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0032680 k( 223) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0032680 k( 224) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0032680 k( 225) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0032680 k( 226) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0032680 k( 227) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0032680 k( 228) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0032680 k( 229) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0032680 k( 230) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0032680 k( 231) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0032680 k( 232) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0032680 k( 233) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0032680 k( 234) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0032680 k( 235) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0032680 k( 236) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0032680 k( 237) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0032680 k( 238) = ( 0.0310078 0.0310077 0.5000000), wk = 0.0032680 k( 239) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0032680 k( 240) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0032680 k( 241) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0032680 k( 242) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 243) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032680 k( 244) = ( 0.5000000 -0.0000000 0.4838710), wk = 0.0032680 k( 245) = ( 0.5000000 -0.0000000 0.4677419), wk = 0.0032680 k( 246) = ( 0.5000000 -0.0000000 0.4516129), wk = 0.0032680 k( 247) = ( 0.5000000 -0.0000000 0.4354839), wk = 0.0032680 k( 248) = ( 0.5000000 -0.0000000 0.4193548), wk = 0.0032680 k( 249) = ( 0.5000000 -0.0000000 0.4032258), wk = 0.0032680 k( 250) = ( 0.5000000 -0.0000000 0.3870968), wk = 0.0032680 k( 251) = ( 0.5000000 -0.0000000 0.3709677), wk = 0.0032680 k( 252) = ( 0.5000000 -0.0000000 0.3548387), wk = 0.0032680 k( 253) = ( 0.5000000 -0.0000000 0.3387097), wk = 0.0032680 k( 254) = ( 0.5000000 -0.0000000 0.3225806), wk = 0.0032680 k( 255) = ( 0.5000000 -0.0000000 0.3064516), wk = 0.0032680 k( 256) = ( 0.5000000 -0.0000000 0.2903226), wk = 0.0032680 k( 257) = ( 0.5000000 -0.0000000 0.2741935), wk = 0.0032680 k( 258) = ( 0.5000000 -0.0000000 0.2580645), wk = 0.0032680 k( 259) = ( 0.5000000 -0.0000000 0.2419355), wk = 0.0032680 k( 260) = ( 0.5000000 -0.0000000 0.2258064), wk = 0.0032680 k( 261) = ( 0.5000000 -0.0000000 0.2096774), wk = 0.0032680 k( 262) = ( 0.5000000 -0.0000000 0.1935484), wk = 0.0032680 k( 263) = ( 0.5000000 -0.0000000 0.1774194), wk = 0.0032680 k( 264) = ( 0.5000000 -0.0000000 0.1612903), wk = 0.0032680 k( 265) = ( 0.5000000 -0.0000000 0.1451613), wk = 0.0032680 k( 266) = ( 0.5000000 -0.0000000 0.1290323), wk = 0.0032680 k( 267) = ( 0.5000000 -0.0000000 0.1129032), wk = 0.0032680 k( 268) = ( 0.5000000 -0.0000000 0.0967742), wk = 0.0032680 k( 269) = ( 0.5000000 -0.0000000 0.0806452), wk = 0.0032680 k( 270) = ( 0.5000000 -0.0000000 0.0645161), wk = 0.0032680 k( 271) = ( 0.5000000 -0.0000000 0.0483871), wk = 0.0032680 k( 272) = ( 0.5000000 -0.0000000 0.0322581), wk = 0.0032680 k( 273) = ( 0.5000000 -0.0000000 0.0161290), wk = 0.0032680 k( 274) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032680 k( 275) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032680 k( 276) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0032680 k( 277) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0032680 k( 278) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0032680 k( 279) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0032680 k( 280) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0032680 k( 281) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0032680 k( 282) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0032680 k( 283) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0032680 k( 284) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0032680 k( 285) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0032680 k( 286) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0032680 k( 287) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0032680 k( 288) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0032680 k( 289) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0032680 k( 290) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0032680 k( 291) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0032680 k( 292) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0032680 k( 293) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0032680 k( 294) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0032680 k( 295) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0032680 k( 296) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0032680 k( 297) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0032680 k( 298) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0032680 k( 299) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0032680 k( 300) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0032680 k( 301) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0032680 k( 302) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0032680 k( 303) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0032680 k( 304) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0032680 k( 305) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0032680 k( 306) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 Dense grid: 72967 G-vectors FFT dimensions: ( 54, 54, 60) Smooth grid: 54909 G-vectors FFT dimensions: ( 50, 50, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 424, 74) NL pseudopotentials 0.54 Mb ( 212, 166) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2028) G-vector shells 0.01 Mb ( 993) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.92 Mb ( 424, 296) Each subspace H/S matrix 0.08 Mb ( 74, 74) Each matrix 0.37 Mb ( 166, 2, 74) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NaNiIO6.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 9.9 secs Computing kpt #: 8 total cpu time spent up to now is 10.9 secs Computing kpt #: 9 total cpu time spent up to now is 11.9 secs Computing kpt #: 10 total cpu time spent up to now is 12.9 secs Computing kpt #: 11 total cpu time spent up to now is 13.9 secs Computing kpt #: 12 total cpu time spent up to now is 14.9 secs Computing kpt #: 13 total cpu time spent up to now is 15.9 secs Computing kpt #: 14 total cpu time spent up to now is 16.9 secs Computing kpt #: 15 total cpu time spent up to now is 17.9 secs Computing kpt #: 16 total cpu time spent up to now is 18.9 secs Computing kpt #: 17 total cpu time spent up to now is 20.0 secs Computing kpt #: 18 total cpu time spent up to now is 21.0 secs Computing kpt #: 19 total cpu time spent up to now is 22.0 secs Computing kpt #: 20 total cpu time spent up to now is 23.0 secs Computing kpt #: 21 total cpu time spent up to now is 24.1 secs Computing kpt #: 22 total cpu time spent up to now is 25.1 secs Computing kpt #: 23 total cpu time spent up to now is 26.2 secs Computing kpt #: 24 total cpu time spent up to now is 27.2 secs Computing kpt #: 25 total cpu time spent up to now is 28.2 secs Computing kpt #: 26 total cpu time spent up to now is 29.2 secs Computing kpt #: 27 total cpu time spent up to now is 30.4 secs Computing kpt #: 28 total cpu time spent up to now is 31.4 secs Computing kpt #: 29 total cpu time spent up to now is 32.4 secs Computing kpt #: 30 total cpu time spent up to now is 33.4 secs Computing kpt #: 31 total cpu time spent up to now is 34.4 secs Computing kpt #: 32 total cpu time spent up to now is 35.4 secs Computing kpt #: 33 total cpu time spent up to now is 36.4 secs Computing kpt #: 34 total cpu time spent up to now is 37.4 secs Computing kpt #: 35 total cpu time spent up to now is 38.4 secs Computing kpt #: 36 total cpu time spent up to now is 39.5 secs Computing kpt #: 37 total cpu time spent up to now is 40.5 secs Computing kpt #: 38 total cpu time spent up to now is 41.5 secs Computing kpt #: 39 total cpu time spent up to now is 42.5 secs Computing kpt #: 40 total cpu time spent up to now is 43.5 secs Computing kpt #: 41 total cpu time spent up to now is 44.5 secs Computing kpt #: 42 total cpu time spent up to now is 45.6 secs Computing kpt #: 43 total cpu time spent up to now is 46.6 secs Computing kpt #: 44 total cpu time spent up to now is 47.6 secs Computing kpt #: 45 total cpu time spent up to now is 48.6 secs Computing kpt #: 46 total cpu time spent up to now is 49.6 secs Computing kpt #: 47 total cpu time spent up to now is 50.6 secs Computing kpt #: 48 total cpu time spent up to now is 51.6 secs Computing kpt #: 49 total cpu time spent up to now is 52.6 secs Computing kpt #: 50 total cpu time spent up to now is 53.6 secs Computing kpt #: 51 total cpu time spent up to now is 54.6 secs Computing kpt #: 52 total cpu time spent up to now is 55.6 secs Computing kpt #: 53 total cpu time spent up to now is 56.6 secs Computing kpt #: 54 total cpu time spent up to now is 57.6 secs Computing kpt #: 55 total cpu time spent up to now is 58.6 secs Computing kpt #: 56 total cpu time spent up to now is 59.5 secs Computing kpt #: 57 total cpu time spent up to now is 60.6 secs Computing kpt #: 58 total cpu time spent up to now is 61.5 secs Computing kpt #: 59 total cpu time spent up to now is 62.5 secs Computing kpt #: 60 total cpu time spent up to now is 63.5 secs Computing kpt #: 61 total cpu time spent up to now is 64.5 secs Computing kpt #: 62 total cpu time spent up to now is 65.5 secs Computing kpt #: 63 total cpu time spent up to now is 66.5 secs Computing kpt #: 64 total cpu time spent up to now is 67.5 secs Computing kpt #: 65 total cpu time spent up to now is 68.5 secs Computing kpt #: 66 total cpu time spent up to now is 69.5 secs Computing kpt #: 67 total cpu time spent up to now is 70.5 secs Computing kpt #: 68 total cpu time spent up to now is 71.5 secs Computing kpt #: 69 total cpu time spent up to now is 72.5 secs Computing kpt #: 70 total cpu time spent up to now is 73.5 secs Computing kpt #: 71 total cpu time spent up to now is 74.5 secs Computing kpt #: 72 total cpu time spent up to now is 75.5 secs Computing kpt #: 73 total cpu time spent up to now is 76.5 secs Computing kpt #: 74 total cpu time spent up to now is 77.5 secs Computing kpt #: 75 total cpu time spent up to now is 78.5 secs Computing kpt #: 76 total cpu time spent up to now is 79.5 secs Computing kpt #: 77 total cpu time spent up to now is 80.5 secs Computing kpt #: 78 total cpu time spent up to now is 81.5 secs Computing kpt #: 79 total cpu time spent up to now is 82.6 secs Computing kpt #: 80 total cpu time spent up to now is 83.6 secs Computing kpt #: 81 total cpu time spent up to now is 84.6 secs Computing kpt #: 82 total cpu time spent up to now is 85.6 secs Computing kpt #: 83 total cpu time spent up to now is 86.6 secs Computing kpt #: 84 total cpu time spent up to now is 87.6 secs Computing kpt #: 85 total cpu time spent up to now is 88.6 secs Computing kpt #: 86 total cpu time spent up to now is 89.6 secs Computing kpt #: 87 total cpu time spent up to now is 90.6 secs Computing kpt #: 88 total cpu time spent up to now is 91.6 secs Computing kpt #: 89 total cpu time spent up to now is 92.6 secs Computing kpt #: 90 total cpu time spent up to now is 93.6 secs Computing kpt #: 91 total cpu time spent up to now is 94.6 secs Computing kpt #: 92 total cpu time spent up to now is 95.6 secs Computing kpt #: 93 total cpu time spent up to now is 96.6 secs Computing kpt #: 94 total cpu time spent up to now is 97.6 secs Computing kpt #: 95 total cpu time spent up to now is 98.6 secs Computing kpt #: 96 total cpu time spent up to now is 99.6 secs Computing kpt #: 97 total cpu time spent up to now is 100.6 secs Computing kpt #: 98 total cpu time spent up to now is 101.6 secs Computing kpt #: 99 total cpu time spent up to now is 102.5 secs Computing kpt #: 100 total cpu time spent up to now is 103.5 secs Computing kpt #: 101 total cpu time spent up to now is 104.5 secs Computing kpt #: 102 total cpu time spent up to now is 105.5 secs Computing kpt #: 103 total cpu time spent up to now is 106.5 secs Computing kpt #: 104 total cpu time spent up to now is 107.5 secs Computing kpt #: 105 total cpu time spent up to now is 108.5 secs Computing kpt #: 106 total cpu time spent up to now is 109.5 secs Computing kpt #: 107 total cpu time spent up to now is 110.5 secs Computing kpt #: 108 total cpu time spent up to now is 111.4 secs Computing kpt #: 109 total cpu time spent up to now is 112.5 secs Computing kpt #: 110 total cpu time spent up to now is 113.5 secs Computing kpt #: 111 total cpu time spent up to now is 114.5 secs Computing kpt #: 112 total cpu time spent up to now is 115.5 secs Computing kpt #: 113 total cpu time spent up to now is 116.5 secs Computing kpt #: 114 total cpu time spent up to now is 117.5 secs Computing kpt #: 115 total cpu time spent up to now is 118.5 secs Computing kpt #: 116 total cpu time spent up to now is 119.5 secs Computing kpt #: 117 total cpu time spent up to now is 120.5 secs Computing kpt #: 118 total cpu time spent up to now is 121.5 secs Computing kpt #: 119 total cpu time spent up to now is 122.6 secs Computing kpt #: 120 total cpu time spent up to now is 123.6 secs Computing kpt #: 121 total cpu time spent up to now is 124.6 secs Computing kpt #: 122 total cpu time spent up to now is 125.6 secs Computing kpt #: 123 total cpu time spent up to now is 126.6 secs Computing kpt #: 124 total cpu time spent up to now is 127.6 secs Computing kpt #: 125 total cpu time spent up to now is 128.7 secs Computing kpt #: 126 total cpu time spent up to now is 129.7 secs Computing kpt #: 127 total cpu time spent up to now is 130.9 secs Computing kpt #: 128 total cpu time spent up to now is 132.4 secs Computing kpt #: 129 total cpu time spent up to now is 133.5 secs Computing kpt #: 130 total cpu time spent up to now is 134.6 secs Computing kpt #: 131 total cpu time spent up to now is 135.7 secs Computing kpt #: 132 total cpu time spent up to now is 136.9 secs Computing kpt #: 133 total cpu time spent up to now is 138.0 secs Computing kpt #: 134 total cpu time spent up to now is 139.1 secs Computing kpt #: 135 total cpu time spent up to now is 140.2 secs Computing kpt #: 136 total cpu time spent up to now is 141.3 secs Computing kpt #: 137 total cpu time spent up to now is 142.4 secs Computing kpt #: 138 total cpu time spent up to now is 143.5 secs Computing kpt #: 139 total cpu time spent up to now is 144.6 secs Computing kpt #: 140 total cpu time spent up to now is 145.6 secs Computing kpt #: 141 total cpu time spent up to now is 146.7 secs Computing kpt #: 142 total cpu time spent up to now is 147.8 secs Computing kpt #: 143 total cpu time spent up to now is 148.9 secs Computing kpt #: 144 total cpu time spent up to now is 150.0 secs Computing kpt #: 145 total cpu time spent up to now is 151.1 secs Computing kpt #: 146 total cpu time spent up to now is 152.2 secs Computing kpt #: 147 total cpu time spent up to now is 153.2 secs Computing kpt #: 148 total cpu time spent up to now is 154.3 secs Computing kpt #: 149 total cpu time spent up to now is 155.4 secs Computing kpt #: 150 total cpu time spent up to now is 156.4 secs Computing kpt #: 151 total cpu time spent up to now is 157.5 secs Computing kpt #: 152 total cpu time spent up to now is 158.5 secs Computing kpt #: 153 total cpu time spent up to now is 159.6 secs Computing kpt #: 154 total cpu time spent up to now is 160.6 secs Computing kpt #: 155 total cpu time spent up to now is 161.7 secs Computing kpt #: 156 total cpu time spent up to now is 162.6 secs Computing kpt #: 157 total cpu time spent up to now is 163.6 secs Computing kpt #: 158 total cpu time spent up to now is 164.6 secs Computing kpt #: 159 total cpu time spent up to now is 165.7 secs Computing kpt #: 160 total cpu time spent up to now is 166.7 secs Computing kpt #: 161 total cpu time spent up to now is 167.7 secs Computing kpt #: 162 total cpu time spent up to now is 168.7 secs Computing kpt #: 163 total cpu time spent up to now is 169.8 secs Computing kpt #: 164 total cpu time spent up to now is 170.8 secs Computing kpt #: 165 total cpu time spent up to now is 171.8 secs Computing kpt #: 166 total cpu time spent up to now is 172.8 secs Computing kpt #: 167 total cpu time spent up to now is 173.8 secs Computing kpt #: 168 total cpu time spent up to now is 174.8 secs Computing kpt #: 169 total cpu time spent up to now is 175.8 secs Computing kpt #: 170 total cpu time spent up to now is 176.8 secs Computing kpt #: 171 total cpu time spent up to now is 177.8 secs Computing kpt #: 172 total cpu time spent up to now is 178.8 secs Computing kpt #: 173 total cpu time spent up to now is 179.8 secs Computing kpt #: 174 total cpu time spent up to now is 180.8 secs Computing kpt #: 175 total cpu time spent up to now is 181.8 secs Computing kpt #: 176 total cpu time spent up to now is 182.8 secs Computing kpt #: 177 total cpu time spent up to now is 183.8 secs Computing kpt #: 178 total cpu time spent up to now is 184.8 secs Computing kpt #: 179 total cpu time spent up to now is 185.8 secs Computing kpt #: 180 total cpu time spent up to now is 186.8 secs Computing kpt #: 181 total cpu time spent up to now is 187.8 secs Computing kpt #: 182 total cpu time spent up to now is 188.8 secs Computing kpt #: 183 total cpu time spent up to now is 189.8 secs Computing kpt #: 184 total cpu time spent up to now is 190.8 secs Computing kpt #: 185 total cpu time spent up to now is 191.8 secs Computing kpt #: 186 total cpu time spent up to now is 192.8 secs Computing kpt #: 187 total cpu time spent up to now is 193.7 secs Computing kpt #: 188 total cpu time spent up to now is 194.7 secs Computing kpt #: 189 total cpu time spent up to now is 195.7 secs Computing kpt #: 190 total cpu time spent up to now is 196.7 secs Computing kpt #: 191 total cpu time spent up to now is 197.7 secs Computing kpt #: 192 total cpu time spent up to now is 198.7 secs Computing kpt #: 193 total cpu time spent up to now is 199.7 secs Computing kpt #: 194 total cpu time spent up to now is 200.6 secs Computing kpt #: 195 total cpu time spent up to now is 201.5 secs Computing kpt #: 196 total cpu time spent up to now is 202.4 secs Computing kpt #: 197 total cpu time spent up to now is 203.4 secs Computing kpt #: 198 total cpu time spent up to now is 204.4 secs Computing kpt #: 199 total cpu time spent up to now is 205.3 secs Computing kpt #: 200 total cpu time spent up to now is 206.3 secs Computing kpt #: 201 total cpu time spent up to now is 207.3 secs Computing kpt #: 202 total cpu time spent up to now is 208.3 secs Computing kpt #: 203 total cpu time spent up to now is 209.2 secs Computing kpt #: 204 total cpu time spent up to now is 210.2 secs Computing kpt #: 205 total cpu time spent up to now is 211.2 secs Computing kpt #: 206 total cpu time spent up to now is 212.1 secs Computing kpt #: 207 total cpu time spent up to now is 213.2 secs Computing kpt #: 208 total cpu time spent up to now is 214.1 secs Computing kpt #: 209 total cpu time spent up to now is 215.1 secs Computing kpt #: 210 total cpu time spent up to now is 216.1 secs Computing kpt #: 211 total cpu time spent up to now is 217.1 secs Computing kpt #: 212 total cpu time spent up to now is 218.2 secs Computing kpt #: 213 total cpu time spent up to now is 219.2 secs Computing kpt #: 214 total cpu time spent up to now is 220.2 secs Computing kpt #: 215 total cpu time spent up to now is 221.2 secs Computing kpt #: 216 total cpu time spent up to now is 222.2 secs Computing kpt #: 217 total cpu time spent up to now is 223.3 secs Computing kpt #: 218 total cpu time spent up to now is 224.3 secs Computing kpt #: 219 total cpu time spent up to now is 225.3 secs Computing kpt #: 220 total cpu time spent up to now is 226.3 secs Computing kpt #: 221 total cpu time spent up to now is 227.4 secs Computing kpt #: 222 total cpu time spent up to now is 228.4 secs Computing kpt #: 223 total cpu time spent up to now is 229.5 secs Computing kpt #: 224 total cpu time spent up to now is 230.4 secs Computing kpt #: 225 total cpu time spent up to now is 231.5 secs Computing kpt #: 226 total cpu time spent up to now is 232.5 secs Computing kpt #: 227 total cpu time spent up to now is 233.5 secs Computing kpt #: 228 total cpu time spent up to now is 234.5 secs Computing kpt #: 229 total cpu time spent up to now is 235.6 secs Computing kpt #: 230 total cpu time spent up to now is 236.6 secs Computing kpt #: 231 total cpu time spent up to now is 237.7 secs Computing kpt #: 232 total cpu time spent up to now is 238.8 secs Computing kpt #: 233 total cpu time spent up to now is 239.9 secs Computing kpt #: 234 total cpu time spent up to now is 241.0 secs Computing kpt #: 235 total cpu time spent up to now is 242.0 secs Computing kpt #: 236 total cpu time spent up to now is 243.1 secs Computing kpt #: 237 total cpu time spent up to now is 244.2 secs Computing kpt #: 238 total cpu time spent up to now is 245.3 secs Computing kpt #: 239 total cpu time spent up to now is 246.4 secs Computing kpt #: 240 total cpu time spent up to now is 247.5 secs Computing kpt #: 241 total cpu time spent up to now is 248.6 secs Computing kpt #: 242 total cpu time spent up to now is 249.7 secs Computing kpt #: 243 total cpu time spent up to now is 250.8 secs Computing kpt #: 244 total cpu time spent up to now is 251.8 secs Computing kpt #: 245 total cpu time spent up to now is 252.8 secs Computing kpt #: 246 total cpu time spent up to now is 253.8 secs Computing kpt #: 247 total cpu time spent up to now is 254.8 secs Computing kpt #: 248 total cpu time spent up to now is 255.8 secs Computing kpt #: 249 total cpu time spent up to now is 256.8 secs Computing kpt #: 250 total cpu time spent up to now is 257.8 secs Computing kpt #: 251 total cpu time spent up to now is 258.8 secs Computing kpt #: 252 total cpu time spent up to now is 259.8 secs Computing kpt #: 253 total cpu time spent up to now is 260.8 secs Computing kpt #: 254 total cpu time spent up to now is 261.8 secs Computing kpt #: 255 total cpu time spent up to now is 262.8 secs Computing kpt #: 256 total cpu time spent up to now is 263.8 secs Computing kpt #: 257 total cpu time spent up to now is 264.8 secs Computing kpt #: 258 total cpu time spent up to now is 265.8 secs Computing kpt #: 259 total cpu time spent up to now is 266.8 secs Computing kpt #: 260 total cpu time spent up to now is 267.8 secs Computing kpt #: 261 total cpu time spent up to now is 268.8 secs Computing kpt #: 262 total cpu time spent up to now is 269.8 secs Computing kpt #: 263 total cpu time spent up to now is 270.8 secs Computing kpt #: 264 total cpu time spent up to now is 271.8 secs Computing kpt #: 265 total cpu time spent up to now is 272.8 secs Computing kpt #: 266 total cpu time spent up to now is 273.8 secs Computing kpt #: 267 total cpu time spent up to now is 274.9 secs Computing kpt #: 268 total cpu time spent up to now is 275.8 secs Computing kpt #: 269 total cpu time spent up to now is 276.8 secs Computing kpt #: 270 total cpu time spent up to now is 277.8 secs Computing kpt #: 271 total cpu time spent up to now is 278.8 secs Computing kpt #: 272 total cpu time spent up to now is 279.8 secs Computing kpt #: 273 total cpu time spent up to now is 280.9 secs Computing kpt #: 274 total cpu time spent up to now is 281.9 secs Computing kpt #: 275 total cpu time spent up to now is 282.9 secs Computing kpt #: 276 total cpu time spent up to now is 283.9 secs Computing kpt #: 277 total cpu time spent up to now is 284.8 secs Computing kpt #: 278 total cpu time spent up to now is 285.8 secs Computing kpt #: 279 total cpu time spent up to now is 286.8 secs Computing kpt #: 280 total cpu time spent up to now is 287.8 secs Computing kpt #: 281 total cpu time spent up to now is 288.8 secs Computing kpt #: 282 total cpu time spent up to now is 289.8 secs Computing kpt #: 283 total cpu time spent up to now is 290.8 secs Computing kpt #: 284 total cpu time spent up to now is 291.8 secs Computing kpt #: 285 total cpu time spent up to now is 292.9 secs Computing kpt #: 286 total cpu time spent up to now is 293.9 secs Computing kpt #: 287 total cpu time spent up to now is 294.8 secs Computing kpt #: 288 total cpu time spent up to now is 295.9 secs Computing kpt #: 289 total cpu time spent up to now is 296.9 secs Computing kpt #: 290 total cpu time spent up to now is 297.9 secs Computing kpt #: 291 total cpu time spent up to now is 299.0 secs Computing kpt #: 292 total cpu time spent up to now is 300.0 secs Computing kpt #: 293 total cpu time spent up to now is 301.1 secs Computing kpt #: 294 total cpu time spent up to now is 302.1 secs Computing kpt #: 295 total cpu time spent up to now is 303.1 secs Computing kpt #: 296 total cpu time spent up to now is 304.1 secs Computing kpt #: 297 total cpu time spent up to now is 305.0 secs Computing kpt #: 298 total cpu time spent up to now is 306.0 secs Computing kpt #: 299 total cpu time spent up to now is 307.0 secs Computing kpt #: 300 total cpu time spent up to now is 308.0 secs Computing kpt #: 301 total cpu time spent up to now is 309.0 secs Computing kpt #: 302 total cpu time spent up to now is 310.0 secs Computing kpt #: 303 total cpu time spent up to now is 311.0 secs Computing kpt #: 304 total cpu time spent up to now is 311.9 secs Computing kpt #: 305 total cpu time spent up to now is 312.9 secs Computing kpt #: 306 total cpu time spent up to now is 313.9 secs ethr = 1.61E-08, avg # of iterations = 16.9 total cpu time spent up to now is 313.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6877 PWs) bands (ev): -43.9344 -43.9344 -17.2881 -17.2881 -15.9872 -15.9872 -15.8125 -15.8125 -15.8062 -15.8062 -13.9748 -13.9748 -13.8708 -13.8708 -13.1093 -13.1093 -12.1202 -12.1202 -12.1146 -12.1146 -6.8596 -6.8596 -2.2732 -2.2732 -1.9873 -1.9873 -1.6236 -1.6236 -0.4962 -0.4962 0.0357 0.0357 0.0805 0.0805 0.6924 0.6924 0.7063 0.7063 1.8047 1.8047 2.2015 2.2015 2.2586 2.2586 3.3810 3.3810 3.3945 3.3945 3.4133 3.4133 3.7311 3.7311 3.7970 3.7970 3.8082 3.8082 3.9369 3.9369 4.6142 4.6142 4.6262 4.6262 7.2771 7.2771 7.2914 7.2914 7.7475 7.7475 11.4238 11.4238 12.6914 12.6914 13.2856 13.2856 k = 0.0135 0.0078-0.0000 ( 6869 PWs) bands (ev): -43.9344 -43.9344 -17.2876 -17.2876 -15.9872 -15.9871 -15.8125 -15.8125 -15.8062 -15.8061 -13.9754 -13.9753 -13.8715 -13.8715 -13.1092 -13.1091 -12.1204 -12.1201 -12.1148 -12.1148 -6.8580 -6.8579 -2.2734 -2.2722 -1.9866 -1.9866 -1.6258 -1.6243 -0.4959 -0.4956 0.0355 0.0355 0.0799 0.0806 0.6927 0.6947 0.7076 0.7077 1.8033 1.8070 2.1972 2.2008 2.2564 2.2564 3.3591 3.3665 3.3889 3.3892 3.4345 3.4388 3.7310 3.7334 3.7947 3.7974 3.8071 3.8072 3.9370 3.9403 4.6140 4.6142 4.6252 4.6275 7.2763 7.2763 7.2896 7.2917 7.7492 7.7505 11.4202 11.4299 12.6907 12.6908 13.2832 13.2888 k = 0.0270 0.0156-0.0000 ( 6859 PWs) bands (ev): -43.9344 -43.9344 -17.2861 -17.2861 -15.9872 -15.9870 -15.8124 -15.8124 -15.8062 -15.8060 -13.9773 -13.9771 -13.8733 -13.8733 -13.1089 -13.1087 -12.1210 -12.1204 -12.1152 -12.1152 -6.8529 -6.8529 -2.2728 -2.2703 -1.9848 -1.9848 -1.6309 -1.6280 -0.4949 -0.4942 0.0346 0.0348 0.0789 0.0804 0.6950 0.6986 0.7122 0.7127 1.8025 1.8102 2.1880 2.1954 2.2496 2.2497 3.3268 3.3338 3.3872 3.3911 3.4659 3.4699 3.7329 3.7375 3.7909 3.7964 3.8041 3.8046 3.9405 3.9466 4.6129 4.6142 4.6255 4.6292 7.2740 7.2740 7.2864 7.2905 7.7555 7.7581 11.4191 11.4386 12.6887 12.6889 13.2817 13.2929 k = 0.0405 0.0234-0.0000 ( 6861 PWs) bands (ev): -43.9344 -43.9344 -17.2837 -17.2837 -15.9872 -15.9870 -15.8124 -15.8124 -15.8062 -15.8060 -13.9805 -13.9802 -13.8763 -13.8763 -13.1082 -13.1079 -12.1218 -12.1209 -12.1158 -12.1158 -6.8445 -6.8445 -2.2713 -2.2675 -1.9817 -1.9817 -1.6388 -1.6344 -0.4930 -0.4919 0.0329 0.0335 0.0776 0.0800 0.6982 0.7026 0.7211 0.7228 1.8019 1.8140 2.1737 2.1855 2.2388 2.2392 3.2938 3.3003 3.3866 3.3932 3.4965 3.4997 3.7355 3.7418 3.7863 3.7941 3.8012 3.8017 3.9470 3.9554 4.6100 4.6138 4.6278 4.6314 7.2700 7.2700 7.2820 7.2880 7.7663 7.7701 11.4204 11.4496 12.6856 12.6857 13.2809 13.2978 k = 0.0541 0.0312-0.0000 ( 6867 PWs) bands (ev): -43.9344 -43.9344 -17.2803 -17.2803 -15.9872 -15.9869 -15.8124 -15.8124 -15.8062 -15.8059 -13.9852 -13.9848 -13.8802 -13.8802 -13.1073 -13.1069 -12.1228 -12.1218 -12.1167 -12.1166 -6.8328 -6.8328 -2.2691 -2.2640 -1.9774 -1.9773 -1.6492 -1.6434 -0.4904 -0.4889 0.0299 0.0311 0.0766 0.0799 0.7018 0.7065 0.7348 0.7380 1.8007 1.8177 2.1548 2.1717 2.2246 2.2253 3.2616 3.2673 3.3864 3.3953 3.5248 3.5266 3.7367 3.7432 3.7816 3.7900 3.8009 3.8030 3.9559 3.9660 4.6055 4.6125 4.6319 4.6349 7.2641 7.2644 7.2768 7.2843 7.7815 7.7863 11.4241 11.4630 12.6813 12.6813 13.2807 13.3034 k = 0.0676 0.0390-0.0000 ( 6855 PWs) bands (ev): -43.9344 -43.9344 -17.2760 -17.2760 -15.9872 -15.9868 -15.8124 -15.8124 -15.8062 -15.8058 -13.9916 -13.9911 -13.8848 -13.8847 -13.1061 -13.1056 -12.1241 -12.1229 -12.1179 -12.1176 -6.8179 -6.8179 -2.2662 -2.2598 -1.9718 -1.9717 -1.6621 -1.6548 -0.4870 -0.4851 0.0253 0.0274 0.0761 0.0803 0.7057 0.7108 0.7531 0.7577 1.7976 1.8201 2.1320 2.1551 2.2074 2.2084 3.2307 3.2354 3.3864 3.3970 3.5496 3.5497 3.7340 3.7391 3.7778 3.7853 3.8051 3.8120 3.9668 3.9780 4.5999 4.6101 4.6374 4.6397 7.2561 7.2570 7.2712 7.2798 7.8007 7.8064 11.4300 11.4786 12.6759 12.6762 13.2810 13.3096 k = 0.0811 0.0468-0.0000 ( 6857 PWs) bands (ev): -43.9344 -43.9344 -17.2708 -17.2708 -15.9872 -15.9867 -15.8123 -15.8123 -15.8061 -15.8058 -13.9998 -13.9993 -13.8898 -13.8896 -13.1046 -13.1041 -12.1257 -12.1244 -12.1192 -12.1187 -6.7999 -6.7999 -2.2627 -2.2550 -1.9651 -1.9649 -1.6769 -1.6682 -0.4828 -0.4806 0.0192 0.0221 0.0764 0.0813 0.7101 0.7157 0.7756 0.7813 1.7909 1.8197 2.1069 2.1374 2.1877 2.1890 3.2015 3.2051 3.3862 3.3982 3.5677 3.5696 3.7263 3.7297 3.7758 3.7823 3.8154 3.8271 3.9792 3.9910 4.5933 4.6066 4.6442 4.6458 7.2460 7.2478 7.2654 7.2745 7.8236 7.8301 11.4379 11.4962 12.6695 12.6703 13.2816 13.3162 k = 0.0946 0.0546-0.0000 ( 6857 PWs) bands (ev): -43.9344 -43.9344 -17.2646 -17.2646 -15.9871 -15.9866 -15.8123 -15.8123 -15.8061 -15.8057 -14.0100 -14.0095 -13.8949 -13.8947 -13.1029 -13.1023 -12.1275 -12.1263 -12.1207 -12.1200 -6.7790 -6.7789 -2.2587 -2.2496 -1.9573 -1.9569 -1.6935 -1.6832 -0.4780 -0.4753 0.0115 0.0153 0.0775 0.0829 0.7152 0.7213 0.8019 0.8086 1.7789 1.8140 2.0816 2.1206 2.1664 2.1673 3.1745 3.1766 3.3856 3.3987 3.5796 3.5837 3.7145 3.7164 3.7770 3.7824 3.8305 3.8465 3.9930 4.0051 4.5859 4.6023 4.6519 4.6530 7.2341 7.2369 7.2592 7.2686 7.8499 7.8570 11.4476 11.5157 12.6626 12.6640 13.2822 13.3230 k = 0.1081 0.0624-0.0000 ( 6863 PWs) bands (ev): -43.9344 -43.9344 -17.2576 -17.2576 -15.9871 -15.9865 -15.8123 -15.8123 -15.8061 -15.8056 -14.0225 -14.0220 -13.8999 -13.8996 -13.1009 -13.1002 -12.1296 -12.1284 -12.1224 -12.1214 -6.7552 -6.7551 -2.2544 -2.2439 -1.9484 -1.9478 -1.7112 -1.6994 -0.4725 -0.4694 0.0025 0.0070 0.0795 0.0849 0.7209 0.7276 0.8317 0.8392 1.7597 1.8002 2.0579 2.1056 2.1445 2.1446 3.1499 3.1503 3.3843 3.3984 3.5850 3.5912 3.6999 3.7006 3.7819 3.7863 3.8489 3.8687 4.0078 4.0199 4.5780 4.5972 4.6605 4.6612 7.2207 7.2244 7.2527 7.2622 7.8791 7.8868 11.4590 11.5367 12.6551 12.6574 13.2827 13.3299 k = 0.1216 0.0702-0.0000 ( 6859 PWs) bands (ev): -43.9344 -43.9344 -17.2497 -17.2497 -15.9870 -15.9864 -15.8123 -15.8122 -15.8060 -15.8055 -14.0371 -14.0366 -13.9047 -13.9042 -13.0987 -13.0979 -12.1319 -12.1308 -12.1242 -12.1229 -6.7287 -6.7286 -2.2499 -2.2380 -1.9385 -1.9376 -1.7297 -1.7162 -0.4664 -0.4628 -0.0076 -0.0024 0.0821 0.0873 0.7273 0.7346 0.8644 0.8726 1.7323 1.7762 2.0358 2.0895 2.1250 2.1251 3.1264 3.1280 3.3822 3.3969 3.5845 3.5923 3.6832 3.6834 3.7902 3.7939 3.8694 3.8927 4.0236 4.0356 4.5695 4.5917 4.6699 4.6702 7.2059 7.2106 7.2459 7.2554 7.9110 7.9191 11.4719 11.5592 12.6473 12.6507 13.2829 13.3366 k = 0.1351 0.0780-0.0000 ( 6855 PWs) bands (ev): -43.9344 -43.9344 -17.2411 -17.2411 -15.9870 -15.9863 -15.8122 -15.8121 -15.8059 -15.8053 -14.0539 -14.0535 -13.9091 -13.9085 -13.0962 -13.0954 -12.1345 -12.1334 -12.1262 -12.1246 -6.6997 -6.6996 -2.2454 -2.2321 -1.9280 -1.9264 -1.7484 -1.7331 -0.4598 -0.4556 -0.0185 -0.0126 0.0852 0.0899 0.7342 0.7422 0.8996 0.9086 1.6966 1.7415 2.0125 2.0653 2.1116 2.1166 3.1051 3.1088 3.3790 3.3942 3.5792 3.5882 3.6648 3.6658 3.8008 3.8040 3.8913 3.9180 4.0404 4.0521 4.5608 4.5857 4.6798 4.6799 7.1901 7.1955 7.2387 7.2483 7.9451 7.9535 11.4860 11.5828 12.6395 12.6441 13.2825 13.3429 k = 0.1486 0.0858-0.0000 ( 6859 PWs) bands (ev): -43.9344 -43.9344 -17.2316 -17.2316 -15.9869 -15.9862 -15.8122 -15.8121 -15.8058 -15.8052 -14.0728 -14.0724 -13.9131 -13.9124 -13.0936 -13.0927 -12.1373 -12.1363 -12.1283 -12.1264 -6.6684 -6.6683 -2.2411 -2.2265 -1.9171 -1.9147 -1.7665 -1.7492 -0.4527 -0.4479 -0.0300 -0.0234 0.0886 0.0928 0.7416 0.7503 0.9369 0.9465 1.6536 1.6976 1.9841 2.0335 2.1071 2.1181 3.0865 3.0924 3.3743 3.3899 3.5705 3.5801 3.6463 3.6480 3.8121 3.8153 3.9140 3.9439 4.0580 4.0691 4.5520 4.5796 4.6901 4.6903 7.1733 7.1794 7.2312 7.2407 7.9810 7.9896 11.5011 11.6072 12.6319 12.6379 13.2814 13.3486 k = 0.1622 0.0936-0.0000 ( 6861 PWs) bands (ev): -43.9344 -43.9344 -17.2215 -17.2215 -15.9868 -15.9861 -15.8122 -15.8120 -15.8056 -15.8051 -14.0935 -14.0932 -13.9168 -13.9160 -13.0907 -13.0898 -12.1402 -12.1393 -12.1304 -12.1283 -6.6351 -6.6349 -2.2373 -2.2213 -1.9065 -1.9031 -1.7830 -1.7634 -0.4452 -0.4397 -0.0419 -0.0346 0.0925 0.0957 0.7494 0.7589 0.9757 0.9859 1.6047 1.6467 1.9498 1.9974 2.1109 2.1255 3.0707 3.0788 3.3679 3.3838 3.5595 3.5695 3.6282 3.6305 3.8234 3.8268 3.9370 3.9699 4.0761 4.0866 4.5431 4.5734 4.7006 4.7011 7.1557 7.1625 7.2234 7.2329 8.0184 8.0272 11.5169 11.6322 12.6246 12.6323 13.2794 13.3535 k = 0.1757 0.1014-0.0000 ( 6867 PWs) bands (ev): -43.9344 -43.9344 -17.2107 -17.2107 -15.9868 -15.9859 -15.8122 -15.8120 -15.8055 -15.8049 -14.1159 -14.1156 -13.9201 -13.9192 -13.0877 -13.0867 -12.1433 -12.1425 -12.1327 -12.1304 -6.5998 -6.5997 -2.2341 -2.2169 -1.8974 -1.8928 -1.7960 -1.7743 -0.4373 -0.4312 -0.0539 -0.0459 0.0966 0.0988 0.7573 0.7677 1.0152 1.0262 1.5514 1.5908 1.9111 1.9584 2.1203 2.1365 3.0576 3.0680 3.3595 3.3755 3.5471 3.5571 3.6113 3.6142 3.8339 3.8377 3.9600 3.9957 4.0946 4.1045 4.5344 4.5672 4.7114 4.7121 7.1376 7.1449 7.2154 7.2247 8.0568 8.0657 11.5334 11.6576 12.6178 12.6274 13.2764 13.3574 k = 0.1892 0.1092-0.0000 ( 6869 PWs) bands (ev): -43.9344 -43.9344 -17.1992 -17.1992 -15.9867 -15.9858 -15.8122 -15.8119 -15.8053 -15.8048 -14.1397 -14.1395 -13.9232 -13.9222 -13.0845 -13.0835 -12.1466 -12.1458 -12.1351 -12.1325 -6.5630 -6.5628 -2.2318 -2.2136 -1.8912 -1.8862 -1.8028 -1.7799 -0.4292 -0.4224 -0.0659 -0.0572 0.1010 0.1021 0.7651 0.7764 1.0548 1.0667 1.4951 1.5316 1.8693 1.9177 2.1331 2.1499 3.0472 3.0599 3.3489 3.3648 3.5340 3.5438 3.5962 3.5994 3.8431 3.8475 3.9825 4.0208 4.1133 4.1225 4.5261 4.5614 4.7224 4.7233 7.1190 7.1267 7.2071 7.2164 8.0960 8.1049 11.5503 11.6830 12.6117 12.6233 13.2724 13.3602 k = 0.2027 0.1170-0.0000 ( 6865 PWs) bands (ev): -43.9344 -43.9344 -17.1872 -17.1872 -15.9865 -15.9857 -15.8122 -15.8119 -15.8051 -15.8046 -14.1648 -14.1646 -13.9261 -13.9250 -13.0812 -13.0801 -12.1499 -12.1491 -12.1375 -12.1348 -6.5247 -6.5245 -2.2307 -2.2116 -1.8892 -1.8856 -1.8008 -1.7787 -0.4209 -0.4133 -0.0777 -0.0682 0.1056 0.1057 0.7723 0.7848 1.0937 1.1066 1.4370 1.4706 1.8258 1.8760 2.1478 2.1645 3.0395 3.0544 3.3361 3.3517 3.5205 3.5301 3.5833 3.5866 3.8509 3.8560 4.0043 4.0450 4.1320 4.1404 4.5184 4.5559 4.7334 4.7346 7.1002 7.1082 7.1987 7.2077 8.1355 8.1444 11.5674 11.7082 12.6065 12.6203 13.2673 13.3616 k = 0.2162 0.1248-0.0000 ( 6865 PWs) bands (ev): -43.9344 -43.9344 -17.1748 -17.1748 -15.9864 -15.9855 -15.8121 -15.8118 -15.8049 -15.8044 -14.1909 -14.1907 -13.9288 -13.9276 -13.0778 -13.0766 -12.1533 -12.1526 -12.1400 -12.1372 -6.4853 -6.4851 -2.2311 -2.2115 -1.8912 -1.8900 -1.7903 -1.7704 -0.4126 -0.4042 -0.0891 -0.0788 0.1093 0.1107 0.7785 0.7924 1.1307 1.1448 1.3786 1.4090 1.7819 1.8344 2.1633 2.1797 3.0343 3.0513 3.3212 3.3361 3.5070 3.5163 3.5729 3.5762 3.8571 3.8630 4.0251 4.0680 4.1503 4.1581 4.5114 4.5509 4.7444 4.7458 7.0813 7.0896 7.1900 7.1989 8.1751 8.1839 11.5846 11.7330 12.6023 12.6184 13.2613 13.3615 k = 0.2297 0.1326-0.0000 ( 6873 PWs) bands (ev): -43.9344 -43.9344 -17.1619 -17.1619 -15.9863 -15.9854 -15.8121 -15.8118 -15.8048 -15.8043 -14.2177 -14.2176 -13.9313 -13.9301 -13.0742 -13.0731 -12.1567 -12.1560 -12.1426 -12.1396 -6.4450 -6.4448 -2.2331 -2.2132 -1.8966 -1.8955 -1.7742 -1.7566 -0.4043 -0.3951 -0.0999 -0.0889 0.1134 0.1161 0.7830 0.7985 1.1644 1.1798 1.3211 1.3481 1.7391 1.7942 2.1789 2.1948 3.0315 3.0505 3.3042 3.3184 3.4938 3.5028 3.5649 3.5680 3.8617 3.8684 4.0448 4.0894 4.1682 4.1753 4.5053 4.5466 4.7552 4.7568 7.0624 7.0708 7.1813 7.1900 8.2144 8.2230 11.6019 11.7572 12.5992 12.6177 13.2542 13.3599 k = 0.2432 0.1404-0.0000 ( 6869 PWs) bands (ev): -43.9344 -43.9344 -17.1487 -17.1487 -15.9861 -15.9852 -15.8121 -15.8117 -15.8045 -15.8041 -14.2451 -14.2450 -13.9336 -13.9324 -13.0706 -13.0694 -12.1601 -12.1595 -12.1452 -12.1422 -6.4042 -6.4040 -2.2368 -2.2171 -1.9027 -1.9002 -1.7547 -1.7390 -0.3962 -0.3861 -0.1100 -0.0982 0.1178 0.1220 0.7846 0.8021 1.1929 1.2094 1.2663 1.2896 1.6997 1.7571 2.1941 2.2094 3.0309 3.0518 3.2858 3.2991 3.4812 3.4898 3.5592 3.5620 3.8646 3.8723 4.0631 4.1091 4.1853 4.1919 4.5004 4.5431 4.7658 4.7677 7.0436 7.0521 7.1724 7.1809 8.2531 8.2617 11.6191 11.7805 12.5973 12.6182 13.2463 13.3566 k = 0.2568 0.1482-0.0000 ( 6869 PWs) bands (ev): -43.9344 -43.9344 -17.1352 -17.1352 -15.9860 -15.9851 -15.8121 -15.8116 -15.8043 -15.8039 -14.2729 -14.2728 -13.9359 -13.9347 -13.0669 -13.0657 -12.1635 -12.1630 -12.1478 -12.1447 -6.3630 -6.3628 -2.2423 -2.2232 -1.9073 -1.9042 -1.7330 -1.7188 -0.3883 -0.3774 -0.1192 -0.1066 0.1227 0.1283 0.7819 0.8018 1.2095 1.2207 1.2274 1.2390 1.6664 1.7253 2.2083 2.2232 3.0325 3.0550 3.2662 3.2785 3.4694 3.4776 3.5555 3.5580 3.8659 3.8746 4.0800 4.1268 4.2017 4.2077 4.4968 4.5404 4.7762 4.7782 7.0252 7.0337 7.1636 7.1718 8.2911 8.2994 11.6361 11.8027 12.5966 12.6200 13.2376 13.3517 k = 0.2703 0.1560-0.0000 ( 6873 PWs) bands (ev): -43.9344 -43.9344 -17.1216 -17.1215 -15.9858 -15.9849 -15.8121 -15.8116 -15.8041 -15.8037 -14.3008 -14.3007 -13.9380 -13.9368 -13.0633 -13.0621 -12.1669 -12.1664 -12.1505 -12.1473 -6.3218 -6.3216 -2.2495 -2.2312 -1.9098 -1.9067 -1.7099 -1.6969 -0.3808 -0.3690 -0.1274 -0.1142 0.1281 0.1352 0.7732 0.7958 1.1707 1.1855 1.2273 1.2430 1.6425 1.7013 2.2215 2.2357 3.0359 3.0599 3.2461 3.2573 3.4586 3.4663 3.5534 3.5557 3.8656 3.8753 4.0954 4.1424 4.2171 4.2227 4.4946 4.5386 4.7862 4.7884 7.0071 7.0155 7.1547 7.1627 8.3280 8.3361 11.6530 11.8237 12.5971 12.6230 13.2284 13.3453 k = 0.2838 0.1638-0.0000 ( 6869 PWs) bands (ev): -43.9344 -43.9344 -17.1079 -17.1078 -15.9857 -15.9847 -15.8120 -15.8115 -15.8038 -15.8035 -14.3286 -14.3285 -13.9400 -13.9388 -13.0596 -13.0584 -12.1702 -12.1697 -12.1531 -12.1500 -6.2809 -6.2806 -2.2581 -2.2409 -1.9103 -1.9076 -1.6858 -1.6736 -0.3737 -0.3613 -0.1345 -0.1207 0.1342 0.1428 0.7568 0.7821 1.1354 1.1458 1.2270 1.2395 1.6309 1.6873 2.2333 2.2470 3.0411 3.0663 3.2257 3.2360 3.4492 3.4562 3.5528 3.5547 3.8636 3.8744 4.1093 4.1558 4.2316 4.2367 4.4940 4.5377 4.7959 4.7983 6.9895 6.9978 7.1459 7.1536 8.3636 8.3715 11.6697 11.8433 12.5989 12.6272 13.2188 13.3373 k = 0.2973 0.1716-0.0000 ( 6869 PWs) bands (ev): -43.9344 -43.9344 -17.0942 -17.0942 -15.9855 -15.9846 -15.8120 -15.8115 -15.8036 -15.8032 -14.3561 -14.3560 -13.9419 -13.9407 -13.0559 -13.0547 -12.1734 -12.1730 -12.1557 -12.1526 -6.2405 -6.2402 -2.2680 -2.2520 -1.9087 -1.9067 -1.6609 -1.6496 -0.3672 -0.3541 -0.1405 -0.1262 0.1410 0.1511 0.7318 0.7593 1.1098 1.1161 1.2143 1.2217 1.6321 1.6838 2.2437 2.2567 3.0478 3.0738 3.2055 3.2148 3.4414 3.4476 3.5533 3.5549 3.8600 3.8719 4.1216 4.1671 4.2450 4.2497 4.4949 4.5378 4.8051 4.8076 6.9725 6.9806 7.1372 7.1446 8.3978 8.4054 11.6863 11.8614 12.6019 12.6325 13.2090 13.3278 k = 0.3108 0.1794-0.0000 ( 6865 PWs) bands (ev): -43.9344 -43.9344 -17.0806 -17.0806 -15.9853 -15.9844 -15.8120 -15.8114 -15.8033 -15.8030 -14.3831 -14.3830 -13.9437 -13.9426 -13.0523 -13.0512 -12.1765 -12.1761 -12.1583 -12.1552 -6.2009 -6.2007 -2.2786 -2.2640 -1.9055 -1.9043 -1.6357 -1.6251 -0.3613 -0.3478 -0.1451 -0.1306 0.1486 0.1602 0.6988 0.7273 1.0936 1.0966 1.1901 1.1920 1.6439 1.6898 2.2526 2.2649 3.0558 3.0822 3.1859 3.1942 3.4355 3.4406 3.5547 3.5560 3.8546 3.8678 4.1325 4.1762 4.2573 4.2617 4.4973 4.5387 4.8139 4.8165 6.9561 6.9640 7.1287 7.1358 8.4304 8.4376 11.7026 11.8779 12.6062 12.6389 13.1993 13.3171 k = 0.3243 0.1872-0.0000 ( 6871 PWs) bands (ev): -43.9344 -43.9344 -17.0674 -17.0673 -15.9851 -15.9843 -15.8119 -15.8114 -15.8031 -15.8028 -14.4093 -14.4093 -13.9454 -13.9443 -13.0488 -13.0477 -12.1795 -12.1792 -12.1607 -12.1578 -6.1625 -6.1623 -2.2899 -2.2766 -1.9010 -1.9006 -1.6103 -1.6005 -0.3561 -0.3423 -0.1485 -0.1339 0.1571 0.1701 0.6595 0.6880 1.0852 1.0855 1.1545 1.1570 1.6626 1.7030 2.2599 2.2716 3.0646 3.0910 3.1670 3.1744 3.4317 3.4355 3.5567 3.5577 3.8476 3.8619 4.1420 4.1834 4.2685 4.2726 4.5010 4.5403 4.8222 4.8249 6.9405 6.9482 7.1204 7.1271 8.4612 8.4680 11.7188 11.8926 12.6115 12.6461 13.1898 13.3053 k = 0.3378 0.1951-0.0000 ( 6875 PWs) bands (ev): -43.9344 -43.9344 -17.0544 -17.0544 -15.9849 -15.9841 -15.8119 -15.8114 -15.8028 -15.8026 -14.4347 -14.4346 -13.9470 -13.9459 -13.0454 -13.0443 -12.1824 -12.1820 -12.1631 -12.1603 -6.1255 -6.1253 -2.3013 -2.2893 -1.8957 -1.8954 -1.5851 -1.5760 -0.3515 -0.3377 -0.1507 -0.1363 0.1665 0.1810 0.6162 0.6440 1.0761 1.0833 1.1162 1.1176 1.6853 1.7207 2.2659 2.2769 3.0740 3.0998 3.1492 3.1556 3.4304 3.4327 3.5591 3.5600 3.8389 3.8543 4.1502 4.1889 4.2787 4.2825 4.5058 4.5426 4.8300 4.8327 6.9258 6.9330 7.1124 7.1188 8.4900 8.4965 11.7349 11.9054 12.6178 12.6539 13.1807 13.2925 k = 0.3514 0.2029-0.0000 ( 6877 PWs) bands (ev): -43.9344 -43.9344 -17.0420 -17.0419 -15.9848 -15.9840 -15.8119 -15.8113 -15.8026 -15.8024 -14.4589 -14.4589 -13.9485 -13.9475 -13.0422 -13.0411 -12.1850 -12.1847 -12.1654 -12.1627 -6.0903 -6.0900 -2.3126 -2.3020 -1.8900 -1.8890 -1.5603 -1.5520 -0.3475 -0.3339 -0.1518 -0.1378 0.1771 0.1928 0.5711 0.5976 1.0491 1.0719 1.0874 1.0971 1.7097 1.7409 2.2705 2.2808 3.0836 3.1076 3.1332 3.1380 3.4318 3.4322 3.5619 3.5626 3.8286 3.8451 4.1574 4.1930 4.2878 4.2914 4.5114 4.5454 4.8372 4.8399 6.9120 6.9188 7.1048 7.1107 8.5169 8.5229 11.7508 11.9163 12.6249 12.6622 13.1722 13.2790 k = 0.3649 0.2107-0.0000 ( 6877 PWs) bands (ev): -43.9344 -43.9344 -17.0301 -17.0301 -15.9846 -15.9839 -15.8118 -15.8113 -15.8024 -15.8022 -14.4818 -14.4818 -13.9499 -13.9489 -13.0391 -13.0381 -12.1875 -12.1873 -12.1676 -12.1650 -6.0570 -6.0567 -2.3237 -2.3142 -1.8837 -1.8822 -1.5363 -1.5287 -0.3441 -0.3310 -0.1519 -0.1385 0.1888 0.2057 0.5261 0.5509 1.0045 1.0268 1.0912 1.0971 1.7342 1.7617 2.2740 2.2834 3.0926 3.1099 3.1221 3.1233 3.4345 3.4363 3.5648 3.5654 3.8166 3.8341 4.1636 4.1959 4.2960 4.2993 4.5176 4.5485 4.8440 4.8466 6.8991 6.9055 7.0976 7.1031 8.5416 8.5472 11.7666 11.9252 12.6329 12.6708 13.1644 13.2650 k = 0.3784 0.2185-0.0000 ( 6881 PWs) bands (ev): -43.9344 -43.9344 -17.0189 -17.0189 -15.9844 -15.9837 -15.8118 -15.8113 -15.8022 -15.8020 -14.5032 -14.5032 -13.9511 -13.9502 -13.0362 -13.0353 -12.1898 -12.1896 -12.1696 -12.1672 -6.0259 -6.0257 -2.3342 -2.3258 -1.8771 -1.8752 -1.5133 -1.5064 -0.3412 -0.3287 -0.1512 -0.1387 0.2016 0.2196 0.4824 0.5053 0.9565 0.9797 1.0976 1.1020 1.7580 1.7822 2.2764 2.2850 3.0985 3.0993 3.1102 3.1266 3.4397 3.4438 3.5678 3.5683 3.8029 3.8215 4.1691 4.1979 4.3032 4.3063 4.5241 4.5518 4.8501 4.8526 6.8873 6.8932 7.0909 7.0959 8.5642 8.5693 11.7823 11.9321 12.6413 12.6792 13.1576 13.2508 k = 0.3919 0.2263-0.0000 ( 6885 PWs) bands (ev): -43.9344 -43.9344 -17.0085 -17.0085 -15.9842 -15.9836 -15.8117 -15.8113 -15.8019 -15.8018 -14.5229 -14.5229 -13.9522 -13.9514 -13.0336 -13.0327 -12.1919 -12.1917 -12.1714 -12.1692 -5.9974 -5.9972 -2.3439 -2.3367 -1.8704 -1.8682 -1.4916 -1.4855 -0.3387 -0.3271 -0.1500 -0.1386 0.2156 0.2345 0.4412 0.4620 0.9086 0.9327 1.1048 1.1085 1.7803 1.8015 2.2780 2.2858 3.0869 3.0904 3.1129 3.1320 3.4478 3.4544 3.5707 3.5711 3.7878 3.8072 4.1738 4.1991 4.3096 4.3124 4.5306 4.5551 4.8556 4.8580 6.8766 6.8819 7.0847 7.0893 8.5845 8.5892 11.7978 11.9369 12.6502 12.6873 13.1517 13.2365 k = 0.4054 0.2341-0.0000 ( 6883 PWs) bands (ev): -43.9344 -43.9344 -16.9991 -16.9991 -15.9841 -15.9835 -15.8117 -15.8113 -15.8017 -15.8016 -14.5407 -14.5407 -13.9532 -13.9525 -13.0312 -13.0304 -12.1938 -12.1936 -12.1730 -12.1711 -5.9716 -5.9714 -2.3528 -2.3466 -1.8638 -1.8615 -1.4716 -1.4662 -0.3364 -0.3259 -0.1484 -0.1382 0.2307 0.2501 0.4033 0.4220 0.8621 0.8866 1.1122 1.1154 1.8007 1.8191 2.2790 2.2858 3.0754 3.0788 3.1195 3.1366 3.4588 3.4679 3.5734 3.5739 3.7713 3.7913 4.1779 4.1998 4.3151 4.3176 4.5369 4.5582 4.8606 4.8628 6.8670 6.8718 7.0792 7.0832 8.6026 8.6067 11.8131 11.9396 12.6593 12.6949 13.1470 13.2225 k = 0.4189 0.2419-0.0000 ( 6891 PWs) bands (ev): -43.9344 -43.9344 -16.9906 -16.9906 -15.9839 -15.9835 -15.8116 -15.8113 -15.8016 -15.8015 -14.5565 -14.5565 -13.9541 -13.9534 -13.0290 -13.0283 -12.1955 -12.1953 -12.1745 -12.1728 -5.9488 -5.9486 -2.3607 -2.3554 -1.8575 -1.8553 -1.4534 -1.4488 -0.3345 -0.3251 -0.1467 -0.1378 0.2468 0.2662 0.3694 0.3858 0.8180 0.8423 1.1194 1.1222 1.8188 1.8346 2.2795 2.2854 3.0652 3.0682 3.1255 3.1401 3.4726 3.4838 3.5758 3.5764 3.7535 3.7740 4.1816 4.2001 4.3198 4.3219 4.5429 4.5609 4.8650 4.8669 6.8587 6.8628 7.0743 7.0778 8.6183 8.6219 11.8281 11.9403 12.6685 12.7015 13.1435 13.2090 k = 0.4324 0.2497-0.0000 ( 6892 PWs) bands (ev): -43.9344 -43.9344 -16.9833 -16.9833 -15.9838 -15.9834 -15.8116 -15.8113 -15.8014 -15.8013 -14.5702 -14.5702 -13.9548 -13.9542 -13.0271 -13.0266 -12.1969 -12.1967 -12.1757 -12.1743 -5.9291 -5.9289 -2.3674 -2.3631 -1.8517 -1.8497 -1.4375 -1.4336 -0.3327 -0.3247 -0.1450 -0.1375 0.2634 0.2823 0.3403 0.3543 0.7774 0.8007 1.1260 1.1283 1.8347 1.8478 2.2797 2.2846 3.0566 3.0591 3.1306 3.1426 3.4886 3.5016 3.5780 3.5787 3.7348 3.7556 4.1848 4.2000 4.3237 4.3255 4.5484 4.5633 4.8687 4.8704 6.8516 6.8551 7.0701 7.0731 8.6317 8.6347 11.8427 11.9390 12.6774 12.7069 13.1412 13.1962 k = 0.4459 0.2575-0.0000 ( 6886 PWs) bands (ev): -43.9344 -43.9344 -16.9772 -16.9772 -15.9836 -15.9833 -15.8115 -15.8113 -15.8013 -15.8012 -14.5815 -14.5815 -13.9554 -13.9549 -13.0256 -13.0251 -12.1980 -12.1979 -12.1767 -12.1755 -5.9128 -5.9126 -2.3729 -2.3695 -1.8467 -1.8449 -1.4240 -1.4209 -0.3310 -0.3245 -0.1434 -0.1373 0.2797 0.2969 0.3166 0.3283 0.7415 0.7627 1.1318 1.1337 1.8480 1.8585 2.2798 2.2837 3.0495 3.0514 3.1348 3.1442 3.5064 3.5206 3.5798 3.5808 3.7157 3.7362 4.1877 4.1997 4.3269 4.3284 4.5533 4.5651 4.8718 4.8732 6.8459 6.8487 7.0667 7.0691 8.6428 8.6452 11.8569 11.9358 12.6859 12.7110 13.1402 13.1844 k = 0.4595 0.2653-0.0000 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.9724 -16.9724 -15.9835 -15.9832 -15.8114 -15.8112 -15.8011 -15.8011 -14.5905 -14.5905 -13.9558 -13.9555 -13.0243 -13.0240 -12.1989 -12.1988 -12.1774 -12.1765 -5.8999 -5.8998 -2.3772 -2.3747 -1.8425 -1.8411 -1.4132 -1.4108 -0.3295 -0.3245 -0.1420 -0.1373 0.2905 0.3009 0.3032 0.3167 0.7116 0.7296 1.1366 1.1380 1.8587 1.8666 2.2798 2.2828 3.0439 3.0454 3.1380 3.1450 3.5252 3.5394 3.5812 3.5827 3.6970 3.7164 4.1902 4.1991 4.3294 4.3306 4.5576 4.5663 4.8743 4.8753 6.8414 6.8435 7.0641 7.0659 8.6515 8.6533 11.8705 11.9308 12.6937 12.7134 13.1406 13.1738 k = 0.4730 0.2731-0.0000 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.9689 -16.9689 -15.9834 -15.9832 -15.8114 -15.8113 -15.8010 -15.8010 -14.5969 -14.5969 -13.9561 -13.9559 -13.0234 -13.0232 -12.1996 -12.1995 -12.1779 -12.1773 -5.8906 -5.8905 -2.3802 -2.3785 -1.8394 -1.8384 -1.4052 -1.4036 -0.3282 -0.3248 -0.1407 -0.1376 0.2819 0.2877 0.3129 0.3244 0.6894 0.7028 1.1401 1.1411 1.8667 1.8720 2.2799 2.2819 3.0400 3.0410 3.1406 3.1451 3.5437 3.5559 3.5823 3.5844 3.6805 3.6972 4.1924 4.1983 4.3312 4.3320 4.5610 4.5668 4.8761 4.8768 6.8383 6.8398 7.0623 7.0635 8.6578 8.6590 11.8833 11.9241 12.7006 12.7142 13.1424 13.1646 k = 0.4865 0.2809-0.0000 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.9668 -16.9668 -15.9833 -15.9832 -15.8113 -15.8113 -15.8010 -15.8009 -14.6008 -14.6008 -13.9563 -13.9561 -13.0228 -13.0227 -12.2000 -12.1999 -12.1782 -12.1779 -5.8850 -5.8849 -2.3818 -2.3810 -1.8373 -1.8368 -1.4002 -1.3994 -0.3270 -0.3253 -0.1397 -0.1381 0.2749 0.2778 0.3235 0.3298 0.6768 0.6840 1.1424 1.1429 1.8721 1.8748 2.2801 2.2811 3.0378 3.0383 3.1425 3.1448 3.5596 3.5667 3.5834 3.5857 3.6698 3.6804 4.1943 4.1972 4.3324 4.3328 4.5637 4.5666 4.8773 4.8776 6.8366 6.8373 7.0613 7.0619 8.6617 8.6623 11.8953 11.9158 12.7062 12.7132 13.1457 13.1568 k = 0.5000 0.2887-0.0000 ( 6862 PWs) bands (ev): -43.9344 -43.9344 -16.9661 -16.9661 -15.9833 -15.9833 -15.8113 -15.8113 -15.8009 -15.8009 -14.6021 -14.6021 -13.9563 -13.9563 -13.0226 -13.0226 -12.2001 -12.2001 -12.1781 -12.1781 -5.8831 -5.8831 -2.3821 -2.3821 -1.8365 -1.8365 -1.3982 -1.3982 -0.3261 -0.3261 -0.1388 -0.1388 0.2735 0.2735 0.3295 0.3295 0.6750 0.6750 1.1434 1.1434 1.8748 1.8748 2.2805 2.2805 3.0372 3.0372 3.1439 3.1439 3.5684 3.5684 3.5850 3.5850 3.6697 3.6697 4.1958 4.1958 4.3329 4.3329 4.5655 4.5655 4.8778 4.8778 6.8363 6.8363 7.0612 7.0612 8.6631 8.6631 11.9061 11.9061 12.7105 12.7105 13.1505 13.1505 k = 0.5000 0.2887-0.0000 ( 6862 PWs) bands (ev): -43.9344 -43.9344 -16.9661 -16.9661 -15.9833 -15.9833 -15.8113 -15.8113 -15.8009 -15.8009 -14.6021 -14.6021 -13.9563 -13.9563 -13.0226 -13.0226 -12.2001 -12.2001 -12.1781 -12.1781 -5.8831 -5.8831 -2.3821 -2.3821 -1.8365 -1.8365 -1.3982 -1.3982 -0.3261 -0.3261 -0.1388 -0.1388 0.2735 0.2735 0.3295 0.3295 0.6750 0.6750 1.1434 1.1434 1.8748 1.8748 2.2805 2.2805 3.0372 3.0372 3.1439 3.1439 3.5684 3.5684 3.5850 3.5850 3.6697 3.6697 4.1958 4.1958 4.3329 4.3329 4.5655 4.5655 4.8778 4.8778 6.8363 6.8363 7.0612 7.0612 8.6631 8.6631 11.9061 11.9061 12.7105 12.7105 13.1505 13.1505 k = 0.4924 0.3018-0.0000 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.9659 -16.9658 -15.9839 -15.9826 -15.8121 -15.8105 -15.8010 -15.8008 -14.6049 -14.5995 -13.9599 -13.9534 -13.0227 -13.0224 -12.2004 -12.1998 -12.1783 -12.1780 -5.8824 -5.8821 -2.3879 -2.3771 -1.8543 -1.8226 -1.4153 -1.3770 -0.3259 -0.3245 -0.1390 -0.1380 0.2651 0.2670 0.3351 0.3376 0.6717 0.6768 1.1444 1.1468 1.8661 1.8745 2.2775 2.2885 3.0361 3.0369 3.1421 3.1436 3.5447 3.5573 3.5975 3.6065 3.6706 3.6734 4.1926 4.1974 4.3313 4.3334 4.5643 4.5676 4.8753 4.8817 6.8317 6.8364 7.0613 7.0661 8.6630 8.6635 11.8922 11.9180 12.6906 12.7265 13.1256 13.1781 k = 0.4848 0.3149-0.0000 ( 6866 PWs) bands (ev): -43.9344 -43.9344 -16.9654 -16.9650 -15.9846 -15.9820 -15.8129 -15.8099 -15.8011 -15.8006 -14.6079 -14.5971 -13.9642 -13.9513 -13.0226 -13.0222 -12.2008 -12.1995 -12.1785 -12.1779 -5.8800 -5.8794 -2.3944 -2.3730 -1.8749 -1.8137 -1.4270 -1.3527 -0.3240 -0.3211 -0.1386 -0.1366 0.2482 0.2510 0.3485 0.3528 0.6669 0.6772 1.1498 1.1544 1.8493 1.8652 2.2796 2.3007 3.0336 3.0352 3.1383 3.1413 3.5206 3.5340 3.6205 3.6274 3.6760 3.6832 4.1877 4.1972 4.3286 4.3326 4.5639 4.5704 4.8742 4.8869 6.8233 6.8321 7.0665 7.0755 8.6631 8.6639 11.8762 11.9276 12.6678 12.7376 13.1047 13.2073 k = 0.4773 0.3280-0.0000 ( 6862 PWs) bands (ev): -43.9344 -43.9344 -16.9644 -16.9639 -15.9852 -15.9814 -15.8138 -15.8093 -15.8012 -15.8004 -14.6111 -14.5950 -13.9691 -13.9499 -13.0225 -13.0218 -12.2011 -12.1993 -12.1786 -12.1778 -5.8761 -5.8752 -2.4017 -2.3697 -1.8975 -1.8107 -1.4327 -1.3264 -0.3204 -0.3159 -0.1376 -0.1346 0.2282 0.2317 0.3635 0.3695 0.6612 0.6766 1.1594 1.1660 1.8254 1.8474 2.2863 2.3160 3.0294 3.0319 3.1328 3.1370 3.4981 3.5118 3.6376 3.6462 3.6877 3.7000 4.1813 4.1952 4.3250 4.3305 4.5645 4.5738 4.8746 4.8933 6.8119 6.8239 7.0762 7.0884 8.6633 8.6645 11.8585 11.9348 12.6429 12.7427 13.0890 13.2371 k = 0.4697 0.3412-0.0000 ( 6866 PWs) bands (ev): -43.9344 -43.9344 -16.9630 -16.9623 -15.9859 -15.9808 -15.8147 -15.8088 -15.8012 -15.8002 -14.6145 -14.5931 -13.9747 -13.9492 -13.0222 -13.0213 -12.2015 -12.1992 -12.1788 -12.1777 -5.8705 -5.8693 -2.4097 -2.3671 -1.9212 -1.8138 -1.4321 -1.2987 -0.3151 -0.3088 -0.1360 -0.1320 0.2073 0.2114 0.3775 0.3853 0.6553 0.6757 1.1727 1.1810 1.7956 1.8223 2.2966 2.3335 3.0229 3.0267 3.1260 3.1312 3.4780 3.4917 3.6493 3.6611 3.7067 3.7222 4.1736 4.1914 4.3208 4.3270 4.5661 4.5776 4.8763 4.9006 6.7987 6.8127 7.0894 7.1037 8.6637 8.6653 11.8395 11.9398 12.6166 12.7412 13.0795 13.2668 k = 0.4621 0.3543-0.0000 ( 6870 PWs) bands (ev): -43.9344 -43.9344 -16.9612 -16.9604 -15.9865 -15.9802 -15.8157 -15.8083 -15.8011 -15.8000 -14.6180 -14.5915 -13.9808 -13.9491 -13.0219 -13.0208 -12.2020 -12.1991 -12.1789 -12.1776 -5.8635 -5.8620 -2.4183 -2.3654 -1.9454 -1.8227 -1.4256 -1.2705 -0.3080 -0.2997 -0.1339 -0.1289 0.1862 0.1908 0.3894 0.3991 0.6498 0.6752 1.1892 1.1990 1.7612 1.7911 2.3096 2.3522 3.0137 3.0190 3.1183 3.1241 3.4606 3.4740 3.6592 3.6730 3.7307 3.7469 4.1648 4.1858 4.3160 4.3222 4.5688 4.5820 4.8792 4.9087 6.7842 6.7996 7.1049 7.1207 8.6643 8.6663 11.8193 11.9426 12.5895 12.7332 13.0762 13.2959 k = 0.4545 0.3674-0.0000 ( 6870 PWs) bands (ev): -43.9344 -43.9344 -16.9591 -16.9581 -15.9872 -15.9797 -15.8166 -15.8080 -15.8010 -15.7998 -14.6218 -14.5902 -13.9874 -13.9496 -13.0215 -13.0201 -12.2024 -12.1991 -12.1791 -12.1776 -5.8552 -5.8533 -2.4273 -2.3643 -1.9696 -1.8364 -1.4142 -1.2424 -0.2992 -0.2885 -0.1312 -0.1252 0.1653 0.1704 0.3984 0.4099 0.6459 0.6757 1.2084 1.2193 1.7230 1.7551 2.3244 2.3715 3.0014 3.0085 3.1103 3.1164 3.4461 3.4592 3.6690 3.6841 3.7563 3.7722 4.1549 4.1786 4.3107 4.3164 4.5723 4.5867 4.8831 4.9175 6.7692 6.7853 7.1221 7.1386 8.6651 8.6674 11.7985 11.9433 12.5620 12.7195 13.0784 13.3240 k = 0.4470 0.3805-0.0000 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -16.9566 -16.9554 -15.9878 -15.9791 -15.8176 -15.8077 -15.8009 -15.7996 -14.6257 -14.5891 -13.9943 -13.9507 -13.0209 -13.0194 -12.2028 -12.1991 -12.1792 -12.1775 -5.8456 -5.8434 -2.4367 -2.3639 -1.9934 -1.8537 -1.3992 -1.2146 -0.2886 -0.2751 -0.1281 -0.1209 0.1450 0.1503 0.4040 0.4169 0.6442 0.6779 1.2297 1.2414 1.6818 1.7153 2.3402 2.3910 2.9857 2.9949 3.1025 3.1084 3.4348 3.4474 3.6794 3.6956 3.7820 3.7973 4.1442 4.1700 4.3050 4.3099 4.5766 4.5918 4.8878 4.9265 6.7540 6.7703 7.1401 7.1569 8.6661 8.6687 11.7773 11.9422 12.5345 12.7014 13.0848 13.3509 k = 0.4394 0.3936-0.0000 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -16.9539 -16.9525 -15.9885 -15.9786 -15.8185 -15.8075 -15.8007 -15.7994 -14.6298 -14.5884 -14.0015 -13.9522 -13.0204 -13.0187 -12.2033 -12.1993 -12.1793 -12.1776 -5.8350 -5.8324 -2.4464 -2.3641 -2.0165 -1.8735 -1.3819 -1.1878 -0.2762 -0.2595 -0.1246 -0.1162 0.1254 0.1309 0.4061 0.4198 0.6452 0.6821 1.2525 1.2647 1.6383 1.6727 2.3565 2.4103 2.9667 2.9782 3.0949 3.1004 3.4265 3.4385 3.6907 3.7077 3.8069 3.8214 4.1327 4.1602 4.2988 4.3031 4.5816 4.5972 4.8932 4.9358 6.7390 6.7552 7.1585 7.1751 8.6673 8.6702 11.7562 11.9395 12.5076 12.6802 13.0943 13.3766 k = 0.4318 0.4068-0.0000 ( 6854 PWs) bands (ev): -43.9344 -43.9344 -16.9509 -16.9494 -15.9891 -15.9781 -15.8195 -15.8074 -15.8004 -15.7991 -14.6339 -14.5879 -14.0088 -13.9541 -13.0197 -13.0178 -12.2038 -12.1995 -12.1794 -12.1776 -5.8236 -5.8206 -2.4562 -2.3648 -2.0387 -1.8948 -1.3632 -1.1623 -0.2620 -0.2417 -0.1208 -0.1111 0.1067 0.1123 0.4047 0.4185 0.6490 0.6881 1.2764 1.2889 1.5932 1.6280 2.3731 2.4293 2.9451 2.9587 3.0876 3.0926 3.4209 3.4323 3.7029 3.7207 3.8306 3.8441 4.1207 4.1493 4.2919 4.2966 4.5871 4.6028 4.8990 4.9451 6.7244 6.7402 7.1767 7.1930 8.6687 8.6719 11.7355 11.9354 12.4815 12.6571 13.1055 13.4008 k = 0.4242 0.4199-0.0000 ( 6850 PWs) bands (ev): -43.9344 -43.9344 -16.9477 -16.9461 -15.9897 -15.9776 -15.8204 -15.8073 -15.8002 -15.7988 -14.6382 -14.5879 -14.0161 -13.9563 -13.0190 -13.0170 -12.2043 -12.1997 -12.1794 -12.1777 -5.8115 -5.8081 -2.4660 -2.3659 -2.0596 -1.9168 -1.3441 -1.1382 -0.2461 -0.2217 -0.1167 -0.1056 0.0890 0.0945 0.4003 0.4135 0.6552 0.6955 1.3010 1.3134 1.5473 1.5821 2.3896 2.4478 2.9214 2.9371 3.0804 3.0849 3.4179 3.4287 3.7161 3.7344 3.8525 3.8650 4.1082 4.1375 4.2845 4.2907 4.5929 4.6085 4.9050 4.9542 6.7105 6.7256 7.1945 7.2101 8.6704 8.6738 11.7156 11.9302 12.4567 12.6330 13.1178 13.4236 k = 0.4167 0.4330-0.0000 ( 6840 PWs) bands (ev): -43.9344 -43.9344 -16.9444 -16.9426 -15.9903 -15.9771 -15.8213 -15.8073 -15.7999 -15.7986 -14.6426 -14.5881 -14.0233 -13.9586 -13.0183 -13.0161 -12.2048 -12.2000 -12.1795 -12.1778 -5.7990 -5.7951 -2.4757 -2.3673 -2.0790 -1.9390 -1.3250 -1.1159 -0.2285 -0.1997 -0.1125 -0.0997 0.0725 0.0779 0.3932 0.4054 0.6631 0.7037 1.3257 1.3376 1.5013 1.5356 2.4059 2.4656 2.8962 2.9139 3.0734 3.0774 3.4171 3.4274 3.7300 3.7488 3.8725 3.8837 4.0956 4.1252 4.2769 4.2855 4.5989 4.6142 4.9111 4.9630 6.6972 6.7116 7.2114 7.2263 8.6722 8.6758 11.6969 11.9243 12.4334 12.6086 13.1303 13.4451 k = 0.4091 0.4461-0.0000 ( 6844 PWs) bands (ev): -43.9344 -43.9344 -16.9410 -16.9390 -15.9909 -15.9766 -15.8222 -15.8073 -15.7997 -15.7983 -14.6470 -14.5887 -14.0302 -13.9611 -13.0175 -13.0152 -12.2053 -12.2004 -12.1796 -12.1779 -5.7863 -5.7820 -2.4850 -2.3691 -2.0969 -1.9609 -1.3066 -1.0956 -0.2094 -0.1758 -0.1081 -0.0936 0.0573 0.0627 0.3842 0.3951 0.6716 0.7120 1.3500 1.3610 1.4563 1.4893 2.4218 2.4827 2.8704 2.8898 3.0664 3.0701 3.4181 3.4279 3.7446 3.7635 3.8902 3.8999 4.0831 4.1124 4.2696 4.2808 4.6049 4.6199 4.9170 4.9713 6.6848 6.6984 7.2274 7.2414 8.6742 8.6780 11.6795 11.9178 12.4120 12.5842 13.1426 13.4650 k = 0.4015 0.4593-0.0000 ( 6844 PWs) bands (ev): -43.9344 -43.9344 -16.9375 -16.9355 -15.9914 -15.9762 -15.8230 -15.8073 -15.7995 -15.7981 -14.6514 -14.5896 -14.0368 -13.9636 -13.0168 -13.0143 -12.2058 -12.2008 -12.1796 -12.1780 -5.7736 -5.7689 -2.4939 -2.3710 -2.1130 -1.9820 -1.2892 -1.0772 -0.1891 -0.1506 -0.1037 -0.0873 0.0432 0.0492 0.3736 0.3833 0.6802 0.7196 1.3728 1.3812 1.4155 1.4443 2.4373 2.4989 2.8446 2.8656 3.0596 3.0629 3.4206 3.4301 3.7595 3.7784 3.9055 3.9133 4.0709 4.0995 4.2628 4.2767 4.6108 4.6253 4.9228 4.9792 6.6734 6.6860 7.2421 7.2551 8.6764 8.6803 11.6638 11.9112 12.3928 12.5603 13.1545 13.4834 k = 0.3939 0.4724-0.0000 ( 6850 PWs) bands (ev): -43.9344 -43.9344 -16.9342 -16.9320 -15.9919 -15.9758 -15.8238 -15.8073 -15.7993 -15.7978 -14.6557 -14.5907 -14.0430 -13.9661 -13.0160 -13.0135 -12.2063 -12.2012 -12.1797 -12.1782 -5.7612 -5.7561 -2.5023 -2.3731 -2.1272 -2.0021 -1.2731 -1.0609 -0.1680 -0.1253 -0.0989 -0.0809 0.0304 0.0383 0.3620 0.3706 0.6879 0.7258 1.3637 1.3946 1.4019 1.4127 2.4522 2.5142 2.8195 2.8417 3.0529 3.0559 3.4242 3.4335 3.7747 3.7934 3.9181 3.9234 4.0596 4.0867 4.2568 4.2735 4.6166 4.6305 4.9281 4.9864 6.6631 6.6745 7.2554 7.2675 8.6786 8.6827 11.6498 11.9045 12.3760 12.5372 13.1655 13.5003 k = 0.3864 0.4855-0.0000 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -16.9309 -16.9286 -15.9923 -15.9755 -15.8245 -15.8074 -15.7991 -15.7976 -14.6599 -14.5921 -14.0485 -13.9684 -13.0153 -13.0126 -12.2067 -12.2017 -12.1797 -12.1784 -5.7494 -5.7439 -2.5100 -2.3752 -2.1395 -2.0207 -1.2585 -1.0467 -0.1465 -0.1042 -0.0906 -0.0743 0.0186 0.0307 0.3497 0.3576 0.6943 0.7297 1.3274 1.3591 1.4188 1.4297 2.4663 2.5283 2.7956 2.8188 3.0466 3.0493 3.4286 3.4378 3.7899 3.8080 3.9279 3.9300 4.0496 4.0744 4.2516 4.2710 4.6220 4.6353 4.9330 4.9929 6.6538 6.6642 7.2672 7.2783 8.6809 8.6852 11.6378 11.8981 12.3617 12.5151 13.1755 13.5155 k = 0.3788 0.4986-0.0000 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.9278 -16.9255 -15.9928 -15.9752 -15.8252 -15.8074 -15.7990 -15.7974 -14.6639 -14.5936 -14.0534 -13.9705 -13.0146 -13.0119 -12.2072 -12.2021 -12.1798 -12.1786 -5.7385 -5.7326 -2.5168 -2.3772 -2.1499 -2.0377 -1.2456 -1.0345 -0.1255 -0.0963 -0.0725 -0.0674 0.0083 0.0281 0.3369 0.3450 0.6987 0.7308 1.2936 1.3224 1.4380 1.4473 2.4794 2.5410 2.7737 2.7974 3.0408 3.0432 3.4335 3.4427 3.8048 3.8220 3.9327 3.9351 4.0412 4.0628 4.2475 4.2692 4.6271 4.6396 4.9373 4.9986 6.6457 6.6550 7.2773 7.2875 8.6832 8.6875 11.6278 11.8920 12.3502 12.4942 13.1843 13.5290 k = 0.3712 0.5117-0.0000 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.9251 -16.9226 -15.9931 -15.9749 -15.8258 -15.8075 -15.7989 -15.7972 -14.6675 -14.5953 -14.0577 -13.9724 -13.0139 -13.0112 -12.2076 -12.2025 -12.1799 -12.1788 -5.7285 -5.7223 -2.5228 -2.3792 -2.1583 -2.0527 -1.2345 -1.0243 -0.1066 -0.0922 -0.0622 -0.0538 -0.0006 0.0323 0.3240 0.3332 0.7010 0.7288 1.2648 1.2901 1.4551 1.4630 2.4912 2.5520 2.7543 2.7782 3.0356 3.0377 3.4385 3.4478 3.8191 3.8350 3.9319 3.9397 4.0348 4.0523 4.2444 4.2682 4.6317 4.6433 4.9411 5.0036 6.6388 6.6471 7.2859 7.2952 8.6854 8.6899 11.6198 11.8866 12.3415 12.4749 13.1919 13.5407 k = 0.3636 0.5249-0.0000 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.9226 -16.9201 -15.9934 -15.9747 -15.8262 -15.8075 -15.7988 -15.7970 -14.6707 -14.5969 -14.0611 -13.9740 -13.0134 -13.0106 -12.2079 -12.2028 -12.1800 -12.1789 -5.7200 -5.7134 -2.5277 -2.3809 -2.1649 -2.0654 -1.2253 -1.0161 -0.0960 -0.0840 -0.0555 -0.0429 -0.0078 0.0443 0.3116 0.3228 0.7011 0.7237 1.2419 1.2631 1.4697 1.4762 2.5015 2.5612 2.7382 2.7615 3.0311 3.0329 3.4433 3.4528 3.8324 3.8465 3.9283 3.9423 4.0301 4.0431 4.2422 4.2678 4.6356 4.6463 4.9442 5.0077 6.6331 6.6404 7.2927 7.3012 8.6875 8.6920 11.6136 11.8819 12.3355 12.4576 13.1981 13.5504 k = 0.3561 0.5380-0.0000 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -16.9206 -16.9180 -15.9937 -15.9745 -15.8266 -15.8075 -15.7987 -15.7969 -14.6734 -14.5984 -14.0638 -13.9753 -13.0129 -13.0101 -12.2082 -12.2031 -12.1801 -12.1791 -5.7129 -5.7062 -2.5316 -2.3823 -2.1697 -2.0756 -1.2180 -1.0097 -0.0937 -0.0730 -0.0482 -0.0370 -0.0134 0.0608 0.3004 0.3143 0.6995 0.7163 1.2252 1.2420 1.4814 1.4866 2.5098 2.5682 2.7257 2.7480 3.0275 3.0291 3.4476 3.4573 3.8441 3.8558 3.9230 3.9434 4.0268 4.0355 4.2409 4.2679 4.6389 4.6487 4.9467 5.0108 6.6287 6.6352 7.2979 7.3058 8.6893 8.6938 11.6092 11.8781 12.3320 12.4427 13.2030 13.5581 k = 0.3485 0.5511-0.0000 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.9190 -16.9164 -15.9938 -15.9744 -15.8269 -15.8076 -15.7987 -15.7968 -14.6755 -14.5996 -14.0657 -13.9762 -13.0126 -13.0097 -12.2084 -12.2034 -12.1801 -12.1792 -5.7077 -5.7007 -2.5345 -2.3834 -2.1730 -2.0831 -1.2127 -1.0051 -0.0933 -0.0664 -0.0401 -0.0335 -0.0177 0.0769 0.2915 0.3081 0.6971 0.7079 1.2144 1.2269 1.4900 1.4941 2.5157 2.5729 2.7171 2.7382 3.0248 3.0262 3.4510 3.4610 3.8536 3.8624 3.9177 3.9440 4.0245 4.0297 4.2401 4.2681 4.6414 4.6503 4.9484 5.0131 6.6255 6.6313 7.3015 7.3089 8.6907 8.6952 11.6064 11.8753 12.3305 12.4308 13.2064 13.5637 k = 0.3409 0.5642-0.0000 ( 6882 PWs) bands (ev): -43.9344 -43.9344 -16.9181 -16.9154 -15.9940 -15.9743 -15.8271 -15.8076 -15.7987 -15.7968 -14.6769 -14.6004 -14.0669 -13.9767 -13.0124 -13.0094 -12.2086 -12.2035 -12.1802 -12.1793 -5.7044 -5.6973 -2.5362 -2.3841 -2.1749 -2.0876 -1.2095 -1.0024 -0.0934 -0.0637 -0.0329 -0.0311 -0.0212 0.0882 0.2858 0.3044 0.6953 0.7004 1.2089 1.2178 1.4952 1.4986 2.5192 2.5755 2.7123 2.7324 3.0232 3.0244 3.4533 3.4634 3.8599 3.8659 3.9139 3.9444 4.0231 4.0259 4.2399 4.2684 4.6430 4.6512 4.9495 5.0145 6.6236 6.6290 7.3036 7.3107 8.6916 8.6962 11.6049 11.8736 12.3303 12.4230 13.2084 13.5671 k = 0.3333 0.5774-0.0000 ( 6882 PWs) bands (ev): -43.9344 -43.9344 -16.9177 -16.9151 -15.9940 -15.9743 -15.8272 -15.8076 -15.7986 -15.7968 -14.6773 -14.6008 -14.0672 -13.9769 -13.0123 -13.0094 -12.2086 -12.2036 -12.1802 -12.1793 -5.7033 -5.6962 -2.5367 -2.3844 -2.1756 -2.0891 -1.2084 -1.0014 -0.0935 -0.0630 -0.0303 -0.0288 -0.0238 0.0923 0.2839 0.3033 0.6959 0.6960 1.2074 1.2149 1.4970 1.5001 2.5203 2.5763 2.7107 2.7305 3.0226 3.0238 3.4541 3.4643 3.8620 3.8668 3.9126 3.9446 4.0227 4.0246 4.2398 4.2686 4.6436 4.6515 4.9498 5.0150 6.6230 6.6283 7.3042 7.3112 8.6919 8.6965 11.6045 11.8730 12.3304 12.4202 13.2091 13.5682 k = 0.3333 0.5774-0.0000 ( 6882 PWs) bands (ev): -43.9344 -43.9344 -16.9177 -16.9151 -15.9940 -15.9743 -15.8272 -15.8076 -15.7986 -15.7968 -14.6773 -14.6008 -14.0672 -13.9769 -13.0123 -13.0094 -12.2086 -12.2036 -12.1802 -12.1793 -5.7033 -5.6962 -2.5367 -2.3844 -2.1756 -2.0891 -1.2084 -1.0014 -0.0935 -0.0630 -0.0303 -0.0288 -0.0238 0.0923 0.2839 0.3033 0.6959 0.6960 1.2074 1.2149 1.4970 1.5001 2.5203 2.5763 2.7107 2.7305 3.0226 3.0238 3.4541 3.4643 3.8620 3.8668 3.9126 3.9446 4.0227 4.0246 4.2398 4.2686 4.6436 4.6515 4.9498 5.0150 6.6230 6.6283 7.3042 7.3112 8.6919 8.6965 11.6045 11.8730 12.3304 12.4202 13.2091 13.5682 k = 0.3256 0.5639-0.0000 ( 6882 PWs) bands (ev): -43.9344 -43.9344 -16.9181 -16.9155 -15.9940 -15.9743 -15.8271 -15.8076 -15.7987 -15.7968 -14.6768 -14.6004 -14.0669 -13.9767 -13.0124 -13.0095 -12.2086 -12.2035 -12.1802 -12.1793 -5.7045 -5.6975 -2.5361 -2.3841 -2.1749 -2.0876 -1.2096 -1.0024 -0.0933 -0.0636 -0.0336 -0.0310 -0.0209 0.0882 0.2854 0.3043 0.6963 0.7009 1.2089 1.2175 1.4952 1.4985 2.5193 2.5756 2.7122 2.7322 3.0232 3.0244 3.4532 3.4633 3.8603 3.8660 3.9135 3.9442 4.0232 4.0261 4.2398 4.2684 4.6430 4.6512 4.9495 5.0145 6.6237 6.6291 7.3036 7.3107 8.6915 8.6961 11.6048 11.8736 12.3302 12.4233 13.2084 13.5670 k = 0.3178 0.5505-0.0000 ( 6872 PWs) bands (ev): -43.9344 -43.9344 -16.9193 -16.9167 -15.9938 -15.9744 -15.8269 -15.8076 -15.7987 -15.7968 -14.6751 -14.5991 -14.0658 -13.9762 -13.0126 -13.0097 -12.2084 -12.2033 -12.1801 -12.1792 -5.7083 -5.7013 -2.5344 -2.3833 -2.1729 -2.0832 -1.2131 -1.0055 -0.0928 -0.0663 -0.0411 -0.0342 -0.0170 0.0775 0.2886 0.3068 0.7029 0.7120 1.2132 1.2244 1.4901 1.4940 2.5168 2.5736 2.7163 2.7366 3.0249 3.0264 3.4503 3.4602 3.8569 3.8640 3.9152 3.9427 4.0250 4.0303 4.2396 4.2677 4.6411 4.6504 4.9484 5.0131 6.6257 6.6315 7.3018 7.3091 8.6903 8.6949 11.6058 11.8754 12.3295 12.4323 13.2065 13.5634 k = 0.3101 0.5371-0.0000 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.9213 -16.9187 -15.9937 -15.9745 -15.8266 -15.8076 -15.7987 -15.7969 -14.6722 -14.5969 -14.0640 -13.9752 -13.0131 -13.0102 -12.2081 -12.2030 -12.1799 -12.1790 -5.7147 -5.7080 -2.5315 -2.3819 -2.1694 -2.0763 -1.2192 -1.0108 -0.0927 -0.0736 -0.0470 -0.0401 -0.0132 0.0629 0.2918 0.3103 0.7162 0.7302 1.2202 1.2341 1.4819 1.4867 2.5131 2.5706 2.7227 2.7430 3.0276 3.0296 3.4455 3.4549 3.8531 3.8613 3.9166 3.9401 4.0281 4.0368 4.2392 4.2664 4.6379 4.6490 4.9466 5.0107 6.6291 6.6354 7.2990 7.3067 8.6880 8.6926 11.6071 11.8780 12.3292 12.4465 13.2035 13.5574 k = 0.3023 0.5236-0.0000 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.9241 -16.9216 -15.9934 -15.9747 -15.8262 -15.8075 -15.7988 -15.7971 -14.6679 -14.5935 -14.0616 -13.9740 -13.0138 -13.0109 -12.2077 -12.2025 -12.1797 -12.1787 -5.7238 -5.7174 -2.5274 -2.3798 -2.1644 -2.0674 -1.2280 -1.0186 -0.0978 -0.0821 -0.0517 -0.0472 -0.0093 0.0479 0.2946 0.3145 0.7360 0.7553 1.2293 1.2457 1.4713 1.4769 2.5085 2.5666 2.7308 2.7509 3.0315 3.0339 3.4388 3.4476 3.8497 3.8583 3.9172 3.9368 4.0324 4.0449 4.2383 4.2644 4.6337 4.6469 4.9441 5.0075 6.6339 6.6408 7.2954 7.3035 8.6847 8.6892 11.6085 11.8815 12.3301 12.4648 13.1995 13.5491 k = 0.2946 0.5102-0.0000 ( 6862 PWs) bands (ev): -43.9344 -43.9344 -16.9279 -16.9255 -15.9931 -15.9750 -15.8258 -15.8075 -15.7989 -15.7973 -14.6622 -14.5889 -14.0587 -13.9724 -13.0146 -13.0118 -12.2071 -12.2019 -12.1793 -12.1783 -5.7358 -5.7297 -2.5223 -2.3771 -2.1579 -2.0568 -1.2395 -1.0290 -0.1146 -0.0830 -0.0659 -0.0481 -0.0051 0.0359 0.2972 0.3195 0.7616 0.7864 1.2397 1.2583 1.4588 1.4652 2.5030 2.5617 2.7402 2.7597 3.0362 3.0393 3.4305 3.4386 3.8465 3.8551 3.9172 3.9333 4.0377 4.0542 4.2369 4.2618 4.6284 4.6442 4.9410 5.0033 6.6401 6.6477 7.2912 7.2998 8.6801 8.6846 11.6101 11.8854 12.3328 12.4860 13.1948 13.5384 k = 0.2868 0.4968-0.0000 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.9326 -16.9303 -15.9928 -15.9753 -15.8252 -15.8075 -15.7990 -15.7976 -14.6549 -14.5829 -14.0553 -13.9705 -13.0157 -13.0130 -12.2063 -12.2012 -12.1788 -12.1777 -5.7504 -5.7447 -2.5161 -2.3737 -2.1500 -2.0449 -1.2538 -1.0422 -0.1359 -0.0870 -0.0803 -0.0484 -0.0003 0.0290 0.3003 0.3256 0.7920 0.8223 1.2507 1.2711 1.4453 1.4523 2.4966 2.5555 2.7505 2.7695 3.0419 3.0457 3.4209 3.4284 3.8435 3.8516 3.9169 3.9301 4.0435 4.0641 4.2351 4.2584 4.6222 4.6408 4.9371 4.9983 6.6477 6.6559 7.2864 7.2956 8.6741 8.6787 11.6116 11.8893 12.3379 12.5094 13.1897 13.5257 k = 0.2791 0.4834-0.0000 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -16.9383 -16.9360 -15.9924 -15.9757 -15.8246 -15.8075 -15.7992 -15.7979 -14.6460 -14.5755 -14.0515 -13.9684 -13.0171 -13.0144 -12.2054 -12.2002 -12.1782 -12.1770 -5.7679 -5.7626 -2.5088 -2.3695 -2.1407 -2.0322 -1.2710 -1.0585 -0.1586 -0.1100 -0.0795 -0.0496 0.0051 0.0277 0.3049 0.3335 0.8263 0.8616 1.2613 1.2829 1.4318 1.4394 2.4889 2.5480 2.7615 2.7799 3.0482 3.0527 3.4106 3.4175 3.8403 3.8476 3.9168 3.9275 4.0496 4.0744 4.2329 4.2544 4.6151 4.6367 4.9327 4.9924 6.6567 6.6655 7.2814 7.2911 8.6668 8.6713 11.6132 11.8930 12.3456 12.5340 13.1844 13.5110 k = 0.2713 0.4699-0.0000 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -16.9449 -16.9427 -15.9920 -15.9761 -15.8239 -15.8075 -15.7994 -15.7982 -14.6356 -14.5665 -14.0473 -13.9661 -13.0186 -13.0160 -12.2043 -12.1991 -12.1774 -12.1762 -5.7880 -5.7832 -2.5006 -2.3645 -2.1303 -2.0189 -1.2911 -1.0780 -0.1813 -0.1352 -0.0789 -0.0523 0.0107 0.0317 0.3118 0.3438 0.8633 0.9028 1.2703 1.2921 1.4205 1.4278 2.4798 2.5389 2.7730 2.7909 3.0551 3.0604 3.4001 3.4065 3.8365 3.8429 3.9170 3.9256 4.0557 4.0847 4.2303 4.2498 4.6074 4.6321 4.9276 4.9857 6.6670 6.6764 7.2762 7.2864 8.6579 8.6625 11.6148 11.8961 12.3558 12.5591 13.1795 13.4946 k = 0.2636 0.4565-0.0000 ( 6846 PWs) bands (ev): -43.9344 -43.9344 -16.9524 -16.9503 -15.9916 -15.9766 -15.8232 -15.8074 -15.7996 -15.7985 -14.6234 -14.5560 -14.0428 -13.9636 -13.0204 -13.0178 -12.2030 -12.1979 -12.1765 -12.1752 -5.8107 -5.8064 -2.4914 -2.3585 -2.1191 -2.0056 -1.3140 -1.1008 -0.2033 -0.1605 -0.0798 -0.0561 0.0168 0.0397 0.3218 0.3572 0.9019 0.9449 1.2762 1.2965 1.4136 1.4193 2.4690 2.5279 2.7847 2.8025 3.0626 3.0686 3.3900 3.3961 3.8319 3.8375 3.9177 3.9244 4.0614 4.0949 4.2274 4.2448 4.5992 4.6270 4.9219 4.9783 6.6786 6.6885 7.2710 7.2816 8.6474 8.6521 11.6165 11.8985 12.3684 12.5837 13.1752 13.4767 k = 0.2558 0.4431-0.0000 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -16.9608 -16.9588 -15.9912 -15.9771 -15.8224 -15.8075 -15.7999 -15.7989 -14.6097 -14.5439 -14.0380 -13.9609 -13.0224 -13.0199 -12.2016 -12.1964 -12.1754 -12.1741 -5.8360 -5.8322 -2.4812 -2.3517 -2.1071 -1.9924 -1.3396 -1.1269 -0.2240 -0.1847 -0.0822 -0.0610 0.0239 0.0497 0.3357 0.3742 0.9410 0.9866 1.2778 1.2943 1.4125 1.4168 2.4564 2.5149 2.7964 2.8144 3.0703 3.0771 3.3808 3.3869 3.8264 3.8313 3.9185 3.9237 4.0665 4.1046 4.2242 4.2395 4.5905 4.6214 4.9155 4.9700 6.6914 6.7018 7.2658 7.2768 8.6352 8.6401 11.6183 11.8998 12.3830 12.6071 13.1722 13.4577 k = 0.2481 0.4297-0.0000 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -16.9700 -16.9682 -15.9908 -15.9776 -15.8217 -15.8075 -15.8002 -15.7993 -14.5943 -14.5302 -14.0330 -13.9581 -13.0247 -13.0222 -12.2000 -12.1948 -12.1742 -12.1727 -5.8636 -5.8603 -2.4702 -2.3439 -2.0947 -1.9796 -1.3676 -1.1561 -0.2432 -0.2072 -0.0859 -0.0664 0.0318 0.0605 0.3541 0.3952 0.9794 1.0264 1.2747 1.2862 1.4155 1.4231 2.4418 2.4998 2.8081 2.8266 3.0785 3.0858 3.3730 3.3794 3.8202 3.8246 3.9193 3.9235 4.0708 4.1138 4.2210 4.2341 4.5815 4.6154 4.9086 4.9611 6.7054 6.7162 7.2608 7.2722 8.6213 8.6263 11.6201 11.9001 12.3994 12.6283 13.1709 13.4381 k = 0.2403 0.4162-0.0000 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -16.9800 -16.9783 -15.9903 -15.9782 -15.8209 -15.8075 -15.8005 -15.7997 -14.5772 -14.5150 -14.0279 -13.9552 -13.0271 -13.0247 -12.1982 -12.1931 -12.1729 -12.1712 -5.8935 -5.8907 -2.4583 -2.3351 -2.0820 -1.9674 -1.3977 -1.1881 -0.2607 -0.2278 -0.0906 -0.0722 0.0401 0.0711 0.3774 0.4207 1.0156 1.0624 1.2688 1.2749 1.4228 1.4358 2.4253 2.4825 2.8196 2.8389 3.0869 3.0948 3.3671 3.3739 3.8133 3.8174 3.9196 3.9235 4.0742 4.1219 4.2177 4.2290 4.5724 4.6093 4.9010 4.9514 6.7206 6.7317 7.2560 7.2677 8.6056 8.6109 11.6220 11.8993 12.4169 12.6467 13.1719 13.4181 k = 0.2326 0.4028-0.0000 ( 6844 PWs) bands (ev): -43.9344 -43.9344 -16.9908 -16.9892 -15.9899 -15.9787 -15.8201 -15.8076 -15.8009 -15.8000 -14.5587 -14.4983 -14.0226 -13.9523 -13.0298 -13.0274 -12.1962 -12.1911 -12.1714 -12.1696 -5.9255 -5.9232 -2.4456 -2.3253 -2.0693 -1.9561 -1.4295 -1.2227 -0.2765 -0.2463 -0.0959 -0.0779 0.0483 0.0808 0.4059 0.4508 1.0476 1.0920 1.2634 1.2639 1.4337 1.4527 2.4070 2.4634 2.8308 2.8510 3.0958 3.1039 3.3635 3.3707 3.8057 3.8097 3.9194 3.9233 4.0765 4.1288 4.2143 4.2245 4.5634 4.6030 4.8929 4.9410 6.7369 6.7483 7.2515 7.2635 8.5880 8.5936 11.6238 11.8973 12.4350 12.6617 13.1753 13.3984 k = 0.2248 0.3894-0.0000 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -17.0023 -17.0008 -15.9895 -15.9793 -15.8194 -15.8077 -15.8013 -15.8004 -14.5386 -14.4801 -14.0173 -13.9493 -13.0326 -13.0303 -12.1940 -12.1891 -12.1697 -12.1678 -5.9595 -5.9576 -2.4323 -2.3147 -2.0567 -1.9458 -1.4628 -1.2595 -0.2906 -0.2629 -0.1015 -0.0833 0.0558 0.0894 0.4396 0.4854 1.0724 1.1120 1.2563 1.2624 1.4475 1.4728 2.3873 2.4425 2.8414 2.8626 3.1052 3.1134 3.3623 3.3700 3.7977 3.8018 3.9183 3.9227 4.0776 4.1340 4.2109 4.2207 4.5546 4.5968 4.8842 4.9300 6.7542 6.7659 7.2474 7.2596 8.5686 8.5745 11.6255 11.8942 12.4532 12.6727 13.1815 13.3795 k = 0.2171 0.3759-0.0000 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -17.0143 -17.0130 -15.9891 -15.9798 -15.8187 -15.8078 -15.8017 -15.8007 -14.5172 -14.4606 -14.0119 -13.9463 -13.0356 -13.0334 -12.1917 -12.1868 -12.1679 -12.1658 -5.9953 -5.9938 -2.4183 -2.3031 -2.0442 -1.9366 -1.4970 -1.2980 -0.3033 -0.2777 -0.1070 -0.0883 0.0626 0.0966 0.4782 0.5243 1.0871 1.1207 1.2552 1.2679 1.4635 1.4958 2.3663 2.4203 2.8513 2.8736 3.1154 3.1236 3.3636 3.3718 3.7892 3.7935 3.9165 3.9213 4.0775 4.1370 4.2079 4.2178 4.5462 4.5906 4.8749 4.9183 6.7725 6.7844 7.2436 7.2561 8.5474 8.5535 11.6270 11.8899 12.4709 12.6797 13.1901 13.3620 k = 0.2093 0.3625-0.0000 ( 6850 PWs) bands (ev): -43.9344 -43.9344 -17.0269 -17.0257 -15.9888 -15.9803 -15.8181 -15.8080 -15.8021 -15.8010 -14.4945 -14.4397 -14.0065 -13.9434 -13.0388 -13.0367 -12.1892 -12.1844 -12.1660 -12.1637 -6.0326 -6.0314 -2.4040 -2.2908 -2.0320 -1.9285 -1.5316 -1.3377 -0.3147 -0.2911 -0.1121 -0.0925 0.0685 0.1024 0.5210 0.5668 1.0908 1.1200 1.2608 1.2779 1.4820 1.5219 2.3446 2.3972 2.8604 2.8836 3.1267 3.1347 3.3675 3.3759 3.7803 3.7850 3.9139 3.9190 4.0762 4.1377 4.2055 4.2154 4.5384 4.5848 4.8651 4.9061 6.7917 6.8039 7.2403 7.2530 8.5243 8.5308 11.6280 11.8843 12.4878 12.6829 13.2007 13.3466 k = 0.2016 0.3491-0.0000 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -17.0399 -17.0388 -15.9884 -15.9809 -15.8174 -15.8081 -15.8025 -15.8014 -14.4706 -14.4178 -14.0011 -13.9405 -13.0421 -13.0400 -12.1866 -12.1819 -12.1640 -12.1615 -6.0713 -6.0704 -2.3892 -2.2779 -2.0201 -1.9216 -1.5662 -1.3781 -0.3251 -0.3033 -0.1165 -0.0959 0.0733 0.1070 0.5672 0.6120 1.0866 1.1141 1.2698 1.2881 1.5033 1.5510 2.3226 2.3736 2.8687 2.8925 3.1393 3.1472 3.3736 3.3823 3.7710 3.7761 3.9103 3.9157 4.0738 4.1359 4.2037 4.2131 4.5312 4.5793 4.8548 4.8934 6.8119 6.8242 7.2374 7.2502 8.4993 8.5061 11.6285 11.8774 12.5035 12.6828 13.2124 13.3342 k = 0.1938 0.3357-0.0000 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -17.0533 -17.0523 -15.9882 -15.9814 -15.8168 -15.8083 -15.8029 -15.8017 -14.4457 -14.3948 -13.9958 -13.9376 -13.0455 -13.0435 -12.1837 -12.1792 -12.1618 -12.1592 -6.1112 -6.1106 -2.3744 -2.2646 -2.0084 -1.9158 -1.6003 -1.4190 -0.3347 -0.3145 -0.1200 -0.0981 0.0772 0.1105 0.6156 0.6584 1.0786 1.1071 1.2780 1.2952 1.5279 1.5831 2.3007 2.3501 2.8761 2.9002 3.1533 3.1613 3.3818 3.3907 3.7615 3.7669 3.9059 3.9114 4.0704 4.1319 4.2022 4.2105 4.5250 4.5743 4.8441 4.8803 6.8328 6.8452 7.2350 7.2479 8.4725 8.4797 11.6282 11.8691 12.5177 12.6798 13.2239 13.3255 k = 0.1860 0.3222-0.0000 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -17.0670 -17.0661 -15.9879 -15.9819 -15.8163 -15.8086 -15.8032 -15.8020 -14.4198 -14.3709 -13.9905 -13.9348 -13.0490 -13.0471 -12.1808 -12.1764 -12.1596 -12.1568 -6.1522 -6.1516 -2.3595 -2.2510 -1.9969 -1.9110 -1.6335 -1.4597 -0.3438 -0.3252 -0.1222 -0.0991 0.0802 0.1131 0.6643 0.7042 1.0709 1.1024 1.2821 1.2974 1.5558 1.6177 2.2794 2.3270 2.8829 2.9069 3.1689 3.1772 3.3918 3.4008 3.7515 3.7573 3.9007 3.9061 4.0661 4.1262 4.2004 4.2075 4.5198 4.5699 4.8330 4.8667 6.8545 6.8670 7.2330 7.2460 8.4440 8.4515 11.6269 11.8594 12.5302 12.6749 13.2338 13.3215 k = 0.1783 0.3088-0.0000 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -17.0808 -17.0800 -15.9877 -15.9824 -15.8158 -15.8088 -15.8035 -15.8023 -14.3932 -14.3463 -13.9852 -13.9321 -13.0526 -13.0508 -12.1777 -12.1734 -12.1572 -12.1543 -6.1939 -6.1933 -2.3449 -2.2376 -1.9855 -1.9070 -1.6652 -1.5000 -0.3525 -0.3354 -0.1232 -0.0988 0.0824 0.1148 0.7109 0.7465 1.0672 1.1035 1.2805 1.2939 1.5867 1.6542 2.2588 2.3046 2.8892 2.9129 3.1861 3.1950 3.4033 3.4124 3.7414 3.7474 3.8945 3.8998 4.0610 4.1191 4.1979 4.2036 4.5156 4.5662 4.8216 4.8529 6.8769 6.8895 7.2315 7.2445 8.4138 8.4216 11.6246 11.8482 12.5411 12.6686 13.2411 13.3225 k = 0.1705 0.2954-0.0000 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -17.0948 -17.0941 -15.9875 -15.9829 -15.8153 -15.8091 -15.8038 -15.8027 -14.3660 -14.3211 -13.9801 -13.9295 -13.0563 -13.0546 -12.1745 -12.1704 -12.1548 -12.1518 -6.2361 -6.2355 -2.3307 -2.2246 -1.9743 -1.9035 -1.6951 -1.5395 -0.3611 -0.3454 -0.1227 -0.0972 0.0839 0.1159 0.7518 0.7818 1.0713 1.1138 1.2728 1.2847 1.6201 1.6919 2.2392 2.2831 2.8955 2.9186 3.2046 3.2144 3.4161 3.4252 3.7310 3.7373 3.8875 3.8927 4.0551 4.1108 4.1941 4.1986 4.5127 4.5633 4.8099 4.8388 6.8998 6.9125 7.2305 7.2435 8.3820 8.3900 11.6209 11.8354 12.5504 12.6617 13.2458 13.3278 k = 0.1628 0.2820-0.0000 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -17.1087 -17.1081 -15.9873 -15.9833 -15.8149 -15.8094 -15.8041 -15.8029 -14.3384 -14.2955 -13.9749 -13.9269 -13.0600 -13.0583 -12.1712 -12.1672 -12.1524 -12.1492 -6.2787 -6.2780 -2.3173 -2.2126 -1.9632 -1.9000 -1.7227 -1.5778 -0.3696 -0.3553 -0.1208 -0.0941 0.0848 0.1163 0.7830 0.8070 1.0874 1.1362 1.2595 1.2700 1.6551 1.7303 2.2207 2.2626 2.9022 2.9244 3.2244 3.2352 3.4299 3.4391 3.7205 3.7269 3.8797 3.8849 4.0484 4.1015 4.1887 4.1925 4.5110 4.5611 4.7980 4.8246 6.9233 6.9360 7.2299 7.2429 8.3487 8.3570 11.6159 11.8209 12.5585 12.6548 13.2491 13.3356 k = 0.1550 0.2685-0.0000 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -17.1226 -17.1221 -15.9872 -15.9837 -15.8145 -15.8097 -15.8043 -15.8032 -14.3105 -14.2697 -13.9699 -13.9245 -13.0637 -13.0621 -12.1679 -12.1640 -12.1499 -12.1467 -6.3213 -6.3206 -2.3047 -2.2020 -1.9526 -1.8960 -1.7476 -1.6147 -0.3781 -0.3651 -0.1173 -0.0897 0.0852 0.1162 0.8021 0.8210 1.1179 1.1702 1.2418 1.2507 1.6912 1.7689 2.2031 2.2432 2.9096 2.9309 3.2451 3.2572 3.4445 3.4538 3.7102 3.7166 3.8711 3.8763 4.0409 4.0913 4.1815 4.1850 4.5107 4.5599 4.7861 4.8104 6.9472 6.9599 7.2298 7.2427 8.3141 8.3227 11.6093 11.8048 12.5656 12.6482 13.2520 13.3439 k = 0.1473 0.2551-0.0000 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -17.1364 -17.1359 -15.9871 -15.9841 -15.8141 -15.8100 -15.8045 -15.8036 -14.2826 -14.2439 -13.9649 -13.9221 -13.0674 -13.0659 -12.1644 -12.1608 -12.1474 -12.1441 -6.3638 -6.3631 -2.2933 -2.1935 -1.9428 -1.8906 -1.7695 -1.6497 -0.3867 -0.3749 -0.1123 -0.0840 0.0850 0.1157 0.8098 0.8253 1.1611 1.1994 1.2231 1.2395 1.7278 1.8072 2.1863 2.2246 2.9183 2.9384 3.2662 3.2797 3.4596 3.4690 3.7001 3.7064 3.8618 3.8670 4.0326 4.0801 4.1723 4.1762 4.5116 4.5595 4.7740 4.7962 6.9713 6.9840 7.2300 7.2430 8.2783 8.2871 11.6013 11.7870 12.5721 12.6425 13.2551 13.3515 k = 0.1395 0.2417-0.0000 ( 6862 PWs) bands (ev): -43.9344 -43.9344 -17.1499 -17.1495 -15.9870 -15.9844 -15.8138 -15.8102 -15.8047 -15.8038 -14.2547 -14.2182 -13.9600 -13.9198 -13.0710 -13.0696 -12.1609 -12.1575 -12.1449 -12.1416 -6.4058 -6.4052 -2.2833 -2.1874 -1.9343 -1.8830 -1.7881 -1.6825 -0.3953 -0.3847 -0.1060 -0.0772 0.0845 0.1147 0.8094 0.8227 1.1806 1.1928 1.2193 1.2826 1.7643 1.8451 2.1702 2.2070 2.9285 2.9475 3.2873 3.3024 3.4751 3.4846 3.6909 3.6967 3.8520 3.8571 4.0232 4.0680 4.1613 4.1658 4.5137 4.5600 4.7621 4.7822 6.9957 7.0083 7.2307 7.2436 8.2415 8.2505 11.5918 11.7677 12.5782 12.6380 13.2586 13.3576 k = 0.1318 0.2283-0.0000 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -17.1631 -17.1628 -15.9870 -15.9847 -15.8136 -15.8105 -15.8049 -15.8041 -14.2272 -14.1929 -13.9551 -13.9176 -13.0746 -13.0733 -12.1574 -12.1541 -12.1424 -12.1391 -6.4473 -6.4466 -2.2747 -2.1842 -1.9279 -1.8727 -1.8035 -1.7122 -0.4040 -0.3944 -0.0984 -0.0693 0.0836 0.1134 0.8038 0.8159 1.1510 1.1626 1.2770 1.3413 1.8005 1.8822 2.1546 2.1901 2.9405 2.9585 3.3078 3.3246 3.4907 3.5005 3.6827 3.6879 3.8415 3.8467 4.0129 4.0548 4.1485 4.1538 4.5170 4.5613 4.7502 4.7684 7.0200 7.0325 7.2319 7.2447 8.2039 8.2130 11.5809 11.7469 12.5843 12.6347 13.2624 13.3618 k = 0.1240 0.2148-0.0000 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -17.1759 -17.1757 -15.9869 -15.9850 -15.8133 -15.8108 -15.8051 -15.8043 -14.2001 -14.1681 -13.9501 -13.9154 -13.0781 -13.0768 -12.1540 -12.1508 -12.1399 -12.1367 -6.4879 -6.4873 -2.2676 -2.1841 -1.9238 -1.8598 -1.8159 -1.7377 -0.4126 -0.4040 -0.0897 -0.0605 0.0824 0.1118 0.7954 0.8068 1.1171 1.1283 1.3400 1.4039 1.8359 1.9184 2.1395 2.1741 2.9546 2.9714 3.3271 3.3458 3.5063 3.5163 3.6762 3.6804 3.8306 3.8358 4.0013 4.0404 4.1343 4.1404 4.5215 4.5635 4.7385 4.7548 7.0443 7.0566 7.2334 7.2461 8.1658 8.1750 11.5688 11.7249 12.5906 12.6328 13.2664 13.3639 k = 0.1163 0.2014-0.0000 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -17.1883 -17.1881 -15.9869 -15.9853 -15.8131 -15.8110 -15.8052 -15.8045 -14.1737 -14.1442 -13.9452 -13.9132 -13.0815 -13.0803 -12.1505 -12.1476 -12.1375 -12.1344 -6.5275 -6.5269 -2.2620 -2.1867 -1.9222 -1.8459 -1.8261 -1.7567 -0.4212 -0.4135 -0.0801 -0.0510 0.0809 0.1098 0.7855 0.7964 1.0810 1.0919 1.4044 1.4676 1.8704 1.9534 2.1250 2.1591 2.9707 2.9865 3.3445 3.3651 3.5217 3.5318 3.6719 3.6750 3.8193 3.8245 3.9884 4.0246 4.1189 4.1259 4.5268 4.5665 4.7270 4.7416 7.0682 7.0804 7.2352 7.2479 8.1274 8.1367 11.5556 11.7019 12.5973 12.6323 13.2703 13.3641 k = 0.1085 0.1880-0.0000 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -17.2002 -17.2001 -15.9869 -15.9856 -15.8130 -15.8112 -15.8054 -15.8047 -14.1483 -14.1212 -13.9401 -13.9110 -13.0848 -13.0837 -12.1471 -12.1444 -12.1351 -12.1321 -6.5657 -6.5652 -2.2580 -2.1917 -1.9233 -1.8447 -1.8236 -1.7663 -0.4296 -0.4227 -0.0697 -0.0409 0.0793 0.1076 0.7751 0.7856 1.0435 1.0542 1.4685 1.5307 1.9035 1.9870 2.1116 2.1455 2.9889 3.0038 3.3594 3.3819 3.5364 3.5466 3.6705 3.6721 3.8077 3.8129 3.9739 4.0073 4.1026 4.1105 4.5330 4.5701 4.7158 4.7288 7.0918 7.1037 7.2374 7.2500 8.0890 8.0982 11.5417 11.6780 12.6045 12.6332 13.2738 13.3625 k = 0.1008 0.1745-0.0000 ( 6873 PWs) bands (ev): -43.9344 -43.9344 -17.2116 -17.2115 -15.9870 -15.9858 -15.8128 -15.8115 -15.8055 -15.8049 -14.1239 -14.0995 -13.9349 -13.9088 -13.0880 -13.0869 -12.1438 -12.1412 -12.1328 -12.1300 -6.6025 -6.6020 -2.2554 -2.1985 -1.9266 -1.8595 -1.8068 -1.7659 -0.4378 -0.4316 -0.0587 -0.0306 0.0775 0.1051 0.7646 0.7748 1.0054 1.0159 1.5306 1.5916 1.9350 2.0191 2.1000 2.1340 3.0091 3.0231 3.3714 3.3954 3.5503 3.5605 3.6723 3.6725 3.7960 3.8012 3.9579 3.9883 4.0858 4.0946 4.5399 4.5743 4.7049 4.7164 7.1147 7.1264 7.2400 7.2525 8.0509 8.0601 11.5272 11.6537 12.6121 12.6354 13.2769 13.3593 k = 0.0930 0.1611-0.0000 ( 6881 PWs) bands (ev): -43.9344 -43.9344 -17.2223 -17.2222 -15.9870 -15.9860 -15.8128 -15.8117 -15.8057 -15.8051 -14.1008 -14.0792 -13.9294 -13.9064 -13.0910 -13.0900 -12.1406 -12.1382 -12.1305 -12.1280 -6.6375 -6.6372 -2.2541 -2.2065 -1.9316 -1.8771 -1.7879 -1.7582 -0.4456 -0.4402 -0.0474 -0.0202 0.0757 0.1024 0.7545 0.7644 0.9673 0.9777 1.5894 1.6488 1.9642 2.0491 2.0916 2.1254 3.0312 3.0444 3.3802 3.4053 3.5628 3.5729 3.6763 3.6774 3.7846 3.7897 3.9403 3.9676 4.0688 4.0785 4.5473 4.5789 4.6943 4.7045 7.1368 7.1481 7.2429 7.2553 8.0135 8.0225 11.5126 11.6292 12.6201 12.6387 13.2793 13.3549 k = 0.0853 0.1477-0.0000 ( 6885 PWs) bands (ev): -43.9344 -43.9344 -17.2323 -17.2323 -15.9871 -15.9862 -15.8127 -15.8118 -15.8058 -15.8052 -14.0793 -14.0606 -13.9237 -13.9039 -13.0938 -13.0929 -12.1376 -12.1354 -12.1284 -12.1261 -6.6707 -6.6703 -2.2540 -2.2151 -1.9375 -1.8947 -1.7685 -1.7458 -0.4531 -0.4484 -0.0359 -0.0100 0.0739 0.0995 0.7450 0.7545 0.9300 0.9402 1.6432 1.7003 1.9905 2.0737 2.0911 2.1212 3.0551 3.0676 3.3858 3.4114 3.5734 3.5833 3.6835 3.6857 3.7739 3.7789 3.9211 3.9455 4.0520 4.0626 4.5551 4.5839 4.6842 4.6931 7.1580 7.1688 7.2461 7.2584 7.9770 7.9858 11.4980 11.6048 12.6284 12.6430 13.2811 13.3495 k = 0.0775 0.1343-0.0000 ( 6883 PWs) bands (ev): -43.9344 -43.9344 -17.2417 -17.2416 -15.9871 -15.9863 -15.8126 -15.8120 -15.8059 -15.8054 -14.0596 -14.0438 -13.9178 -13.9012 -13.0964 -13.0956 -12.1347 -12.1327 -12.1263 -12.1243 -6.7016 -6.7014 -2.2548 -2.2238 -1.9440 -1.9113 -1.7489 -1.7308 -0.4602 -0.4560 -0.0245 -0.0003 0.0723 0.0965 0.7363 0.7453 0.8941 0.9038 1.6902 1.7442 2.0137 2.0827 2.1099 2.1230 3.0807 3.0924 3.3888 3.4142 3.5813 3.5906 3.6934 3.6963 3.7646 3.7695 3.9008 3.9221 4.0358 4.0471 4.5631 4.5890 4.6745 4.6823 7.1780 7.1883 7.2496 7.2618 7.9419 7.9504 11.4839 11.5809 12.6369 12.6480 13.2821 13.3434 k = 0.0698 0.1208-0.0000 ( 6875 PWs) bands (ev): -43.9344 -43.9344 -17.2502 -17.2502 -15.9871 -15.9864 -15.8125 -15.8121 -15.8060 -15.8055 -14.0418 -14.0290 -13.9115 -13.8981 -13.0988 -13.0981 -12.1321 -12.1303 -12.1244 -12.1227 -6.7303 -6.7301 -2.2565 -2.2323 -1.9505 -1.9265 -1.7295 -1.7147 -0.4668 -0.4632 -0.0134 0.0087 0.0711 0.0933 0.7283 0.7369 0.8599 0.8692 1.7289 1.7784 2.0348 2.0910 2.1292 2.1360 3.1077 3.1187 3.3898 3.4142 3.5855 3.5939 3.7051 3.7082 3.7578 3.7624 3.8798 3.8982 4.0202 4.0320 4.5711 4.5940 4.6654 4.6721 7.1966 7.2063 7.2534 7.2654 7.9085 7.9166 11.4705 11.5577 12.6454 12.6536 13.2826 13.3368 k = 0.0620 0.1074-0.0000 ( 6861 PWs) bands (ev): -43.9344 -43.9344 -17.2580 -17.2580 -15.9871 -15.9865 -15.8125 -15.8121 -15.8060 -15.8056 -14.0261 -14.0163 -13.9050 -13.8948 -13.1010 -13.1003 -12.1297 -12.1280 -12.1225 -12.1212 -6.7565 -6.7563 -2.2587 -2.2403 -1.9570 -1.9400 -1.7107 -1.6983 -0.4728 -0.4697 -0.0029 0.0166 0.0705 0.0902 0.7213 0.7293 0.8282 0.8369 1.7583 1.8017 2.0563 2.1039 2.1442 2.1582 3.1361 3.1465 3.3893 3.4123 3.5848 3.5919 3.7171 3.7198 3.7550 3.7588 3.8592 3.8745 4.0053 4.0174 4.5790 4.5990 4.6569 4.6627 7.2136 7.2226 7.2574 7.2692 7.8772 7.8849 11.4581 11.5355 12.6537 12.6595 13.2825 13.3299 k = 0.0543 0.0940-0.0000 ( 6865 PWs) bands (ev): -43.9344 -43.9344 -17.2649 -17.2649 -15.9872 -15.9866 -15.8124 -15.8122 -15.8061 -15.8057 -14.0126 -14.0056 -13.8984 -13.8911 -13.1029 -13.1023 -12.1275 -12.1260 -12.1208 -12.1198 -6.7800 -6.7799 -2.2613 -2.2476 -1.9632 -1.9517 -1.6929 -1.6824 -0.4782 -0.4756 0.0068 0.0230 0.0705 0.0872 0.7151 0.7226 0.7992 0.8071 1.7784 1.8147 2.0803 2.1203 2.1626 2.1792 3.1657 3.1754 3.3882 3.4093 3.5782 3.5838 3.7277 3.7295 3.7568 3.7602 3.8398 3.8519 3.9913 4.0034 4.5865 4.6035 4.6492 4.6542 7.2289 7.2370 7.2617 7.2732 7.8484 7.8556 11.4470 11.5147 12.6616 12.6656 13.2821 13.3229 k = 0.0465 0.0806-0.0000 ( 6869 PWs) bands (ev): -43.9344 -43.9344 -17.2710 -17.2710 -15.9872 -15.9868 -15.8124 -15.8123 -15.8062 -15.8058 -14.0014 -13.9967 -13.8921 -13.8872 -13.1046 -13.1041 -12.1257 -12.1243 -12.1193 -12.1186 -6.8007 -6.8006 -2.2641 -2.2540 -1.9689 -1.9617 -1.6764 -1.6676 -0.4830 -0.4808 0.0154 0.0278 0.0715 0.0846 0.7098 0.7166 0.7736 0.7805 1.7908 1.8200 2.1060 2.1385 2.1829 2.1980 3.1964 3.2055 3.3870 3.4056 3.5654 3.5696 3.7341 3.7375 3.7621 3.7674 3.8230 3.8318 3.9782 3.9900 4.5936 4.6074 4.6422 4.6465 7.2423 7.2492 7.2663 7.2772 7.8225 7.8290 11.4375 11.4955 12.6690 12.6714 13.2815 13.3160 k = 0.0388 0.0671-0.0000 ( 6865 PWs) bands (ev): -43.9344 -43.9344 -17.2762 -17.2762 -15.9872 -15.9868 -15.8124 -15.8124 -15.8062 -15.8059 -13.9925 -13.9897 -13.8861 -13.8832 -13.1061 -13.1057 -12.1241 -12.1229 -12.1179 -12.1175 -6.8184 -6.8184 -2.2668 -2.2594 -1.9741 -1.9699 -1.6617 -1.6544 -0.4871 -0.4853 0.0227 0.0311 0.0732 0.0824 0.7053 0.7114 0.7517 0.7573 1.7976 1.8201 2.1316 2.1565 2.2031 2.2147 3.2281 3.2367 3.3859 3.4019 3.5467 3.5502 3.7372 3.7427 3.7697 3.7775 3.8100 3.8161 3.9662 3.9773 4.6000 4.6106 4.6363 4.6401 7.2535 7.2589 7.2713 7.2812 7.7999 7.8056 11.4297 11.4780 12.6755 12.6769 13.2810 13.3095 k = 0.0310 0.0537-0.0000 ( 6855 PWs) bands (ev): -43.9344 -43.9344 -17.2804 -17.2804 -15.9872 -15.9869 -15.8124 -15.8124 -15.8062 -15.8059 -13.9856 -13.9841 -13.8809 -13.8793 -13.1073 -13.1069 -12.1228 -12.1217 -12.1167 -12.1165 -6.8331 -6.8331 -2.2693 -2.2639 -1.9785 -1.9764 -1.6489 -1.6432 -0.4904 -0.4890 0.0283 0.0332 0.0752 0.0810 0.7015 0.7069 0.7338 0.7379 1.8007 1.8176 2.1547 2.1727 2.2218 2.2290 3.2605 3.2687 3.3854 3.3983 3.5230 3.5265 3.7376 3.7441 3.7779 3.7875 3.8012 3.8072 3.9556 3.9656 4.6056 4.6128 4.6313 4.6350 7.2626 7.2660 7.2767 7.2849 7.7810 7.7858 11.4240 11.4626 12.6811 12.6818 13.2807 13.3033 k = 0.0233 0.0403-0.0000 ( 6863 PWs) bands (ev): -43.9344 -43.9344 -17.2838 -17.2838 -15.9872 -15.9870 -15.8124 -15.8124 -15.8062 -15.8060 -13.9806 -13.9799 -13.8766 -13.8759 -13.1082 -13.1079 -12.1217 -12.1209 -12.1158 -12.1157 -6.8447 -6.8447 -2.2714 -2.2675 -1.9822 -1.9813 -1.6386 -1.6343 -0.4930 -0.4920 0.0321 0.0344 0.0772 0.0804 0.6980 0.7027 0.7205 0.7229 1.8019 1.8139 2.1738 2.1860 2.2375 2.2410 3.2936 3.3014 3.3854 3.3950 3.4954 3.4993 3.7356 3.7418 3.7851 3.7952 3.7982 3.8046 3.9468 3.9552 4.6100 4.6140 4.6276 4.6314 7.2693 7.2709 7.2820 7.2882 7.7661 7.7698 11.4204 11.4494 12.6855 12.6859 13.2809 13.2977 k = 0.0155 0.0269-0.0000 ( 6855 PWs) bands (ev): -43.9344 -43.9344 -17.2862 -17.2862 -15.9872 -15.9870 -15.8124 -15.8124 -15.8062 -15.8060 -13.9773 -13.9770 -13.8734 -13.8732 -13.1089 -13.1087 -12.1210 -12.1204 -12.1152 -12.1151 -6.8530 -6.8530 -2.2728 -2.2703 -1.9849 -1.9847 -1.6308 -1.6279 -0.4949 -0.4942 0.0344 0.0351 0.0788 0.0804 0.6950 0.6986 0.7119 0.7128 1.8025 1.8102 2.1881 2.1955 2.2492 2.2504 3.3270 3.3345 3.3862 3.3921 3.4653 3.4697 3.7328 3.7375 3.7908 3.7966 3.8032 3.8055 3.9404 3.9466 4.6129 4.6143 4.6255 4.6291 7.2738 7.2743 7.2864 7.2906 7.7554 7.7580 11.4191 11.4384 12.6888 12.6889 13.2817 13.2929 k = 0.0078 0.0134-0.0000 ( 6867 PWs) bands (ev): -43.9344 -43.9344 -17.2876 -17.2876 -15.9872 -15.9871 -15.8125 -15.8125 -15.8062 -15.8061 -13.9754 -13.9753 -13.8715 -13.8715 -13.1092 -13.1091 -12.1204 -12.1201 -12.1148 -12.1148 -6.8580 -6.8580 -2.2734 -2.2722 -1.9867 -1.9866 -1.6257 -1.6243 -0.4959 -0.4956 0.0354 0.0355 0.0799 0.0806 0.6927 0.6947 0.7076 0.7077 1.8033 1.8070 2.1973 2.2008 2.2563 2.2565 3.3592 3.3668 3.3880 3.3901 3.4343 3.4386 3.7310 3.7334 3.7948 3.7974 3.8070 3.8073 3.9369 3.9402 4.6140 4.6142 4.6252 4.6275 7.2763 7.2764 7.2896 7.2917 7.7492 7.7505 11.4202 11.4299 12.6907 12.6908 13.2833 13.2888 k = 0.0000 0.0000 0.0000 ( 6877 PWs) bands (ev): -43.9344 -43.9344 -17.2881 -17.2881 -15.9872 -15.9872 -15.8125 -15.8125 -15.8062 -15.8062 -13.9748 -13.9748 -13.8708 -13.8708 -13.1093 -13.1093 -12.1202 -12.1202 -12.1146 -12.1146 -6.8596 -6.8596 -2.2732 -2.2732 -1.9873 -1.9873 -1.6236 -1.6236 -0.4962 -0.4962 0.0357 0.0357 0.0805 0.0805 0.6924 0.6924 0.7063 0.7063 1.8047 1.8047 2.2015 2.2015 2.2586 2.2586 3.3810 3.3810 3.3945 3.3945 3.4133 3.4133 3.7311 3.7311 3.7970 3.7970 3.8082 3.8082 3.9369 3.9369 4.6142 4.6142 4.6262 4.6262 7.2771 7.2771 7.2914 7.2914 7.7475 7.7475 11.4238 11.4238 12.6914 12.6914 13.2856 13.2856 k = 0.0000 0.0000 0.0000 ( 6877 PWs) bands (ev): -43.9344 -43.9344 -17.2881 -17.2881 -15.9872 -15.9872 -15.8125 -15.8125 -15.8062 -15.8062 -13.9748 -13.9748 -13.8708 -13.8708 -13.1093 -13.1093 -12.1202 -12.1202 -12.1146 -12.1146 -6.8596 -6.8596 -2.2732 -2.2732 -1.9873 -1.9873 -1.6236 -1.6236 -0.4962 -0.4962 0.0357 0.0357 0.0805 0.0805 0.6924 0.6924 0.7063 0.7063 1.8047 1.8047 2.2015 2.2015 2.2586 2.2586 3.3810 3.3810 3.3945 3.3945 3.4133 3.4133 3.7311 3.7311 3.7970 3.7970 3.8082 3.8082 3.9369 3.9369 4.6142 4.6142 4.6262 4.6262 7.2771 7.2771 7.2914 7.2914 7.7475 7.7475 11.4238 11.4238 12.6914 12.6914 13.2856 13.2856 k = 0.0000 0.0000 0.0155 ( 6877 PWs) bands (ev): -43.9344 -43.9344 -17.2881 -17.2881 -15.9872 -15.9871 -15.8126 -15.8124 -15.8061 -15.8061 -13.9752 -13.9742 -13.8713 -13.8703 -13.1095 -13.1095 -12.1209 -12.1196 -12.1153 -12.1141 -6.8595 -6.8595 -2.2753 -2.2712 -1.9896 -1.9851 -1.6240 -1.6236 -0.4952 -0.4952 0.0335 0.0381 0.0782 0.0828 0.6885 0.6961 0.7022 0.7100 1.8048 1.8049 2.2012 2.2019 2.2584 2.2592 3.3748 3.3866 3.3889 3.3997 3.4126 3.4127 3.7306 3.7309 3.7968 3.7982 3.8081 3.8093 3.9356 3.9357 4.6138 4.6147 4.6257 4.6269 7.2744 7.2800 7.2888 7.2943 7.7489 7.7489 11.4227 11.4237 12.6937 12.6937 13.2743 13.2964 k = 0.0000 0.0000 0.0311 ( 6883 PWs) bands (ev): -43.9344 -43.9344 -17.2880 -17.2880 -15.9872 -15.9870 -15.8127 -15.8124 -15.8060 -15.8059 -13.9755 -13.9736 -13.8716 -13.8697 -13.1102 -13.1102 -12.1217 -12.1191 -12.1161 -12.1136 -6.8589 -6.8589 -2.2776 -2.2694 -1.9920 -1.9830 -1.6248 -1.6241 -0.4924 -0.4924 0.0314 0.0405 0.0761 0.0853 0.6842 0.6979 0.6993 0.7133 1.8053 1.8054 2.2013 2.2026 2.2583 2.2600 3.3683 3.3829 3.3917 3.4042 3.4106 3.4107 3.7296 3.7302 3.7977 3.8003 3.8090 3.8113 3.9317 3.9321 4.6136 4.6153 4.6254 4.6277 7.2720 7.2831 7.2864 7.2974 7.7529 7.7530 11.4203 11.4223 12.7003 12.7005 13.2626 13.3065 k = 0.0000 0.0000 0.0466 ( 6865 PWs) bands (ev): -43.9344 -43.9344 -17.2880 -17.2880 -15.9871 -15.9868 -15.8127 -15.8122 -15.8057 -15.8056 -13.9757 -13.9729 -13.8718 -13.8690 -13.1113 -13.1113 -12.1226 -12.1188 -12.1170 -12.1133 -6.8581 -6.8580 -2.2800 -2.2678 -1.9945 -1.9812 -1.6261 -1.6250 -0.4877 -0.4877 0.0295 0.0430 0.0742 0.0879 0.6797 0.6933 0.7022 0.7162 1.8060 1.8062 2.2015 2.2034 2.2586 2.2611 3.3615 3.3765 3.3961 3.4074 3.4075 3.4080 3.7278 3.7287 3.7996 3.8033 3.8110 3.8141 3.9257 3.9262 4.6136 4.6161 4.6252 4.6287 7.2699 7.2844 7.2865 7.3007 7.7595 7.7597 11.4168 11.4197 12.7112 12.7117 13.2507 13.3158 k = 0.0000 0.0000 0.0622 ( 6877 PWs) bands (ev): -43.9344 -43.9344 -17.2879 -17.2879 -15.9870 -15.9866 -15.8128 -15.8122 -15.8054 -15.8053 -13.9758 -13.9722 -13.8719 -13.8681 -13.1128 -13.1127 -12.1236 -12.1187 -12.1181 -12.1132 -6.8568 -6.8568 -2.2824 -2.2664 -1.9971 -1.9795 -1.6278 -1.6263 -0.4813 -0.4813 0.0278 0.0456 0.0725 0.0906 0.6750 0.6885 0.7046 0.7187 1.8070 1.8073 2.2019 2.2045 2.2591 2.2624 3.3546 3.3699 3.3996 3.4029 3.4030 3.4111 3.7251 3.7262 3.8025 3.8070 3.8139 3.8177 3.9178 3.9185 4.6137 4.6170 4.6253 4.6298 7.2681 7.2826 7.2900 7.3041 7.7687 7.7689 11.4121 11.4159 12.7263 12.7271 13.2389 13.3243 k = 0.0000 0.0000 0.0777 ( 6877 PWs) bands (ev): -43.9344 -43.9344 -17.2878 -17.2878 -15.9869 -15.9863 -15.8129 -15.8122 -15.8050 -15.8048 -13.9758 -13.9713 -13.8719 -13.8673 -13.1147 -13.1146 -12.1247 -12.1192 -12.1186 -12.1132 -6.8553 -6.8553 -2.2849 -2.2653 -1.9996 -1.9781 -1.6299 -1.6281 -0.4730 -0.4730 0.0263 0.0482 0.0710 0.0932 0.6701 0.6835 0.7065 0.7206 1.8083 1.8087 2.2026 2.2058 2.2598 2.2640 3.3477 3.3633 3.3964 3.3970 3.4032 3.4135 3.7211 3.7225 3.8065 3.8114 3.8179 3.8220 3.9086 3.9094 4.6140 4.6180 4.6255 4.6310 7.2667 7.2812 7.2937 7.3077 7.7802 7.7805 11.4064 11.4110 12.7453 12.7468 13.2273 13.3319 k = 0.0000 0.0000 0.0933 ( 6889 PWs) bands (ev): -43.9344 -43.9344 -17.2877 -17.2877 -15.9867 -15.9861 -15.8131 -15.8121 -15.8045 -15.8043 -13.9757 -13.9704 -13.8718 -13.8663 -13.1169 -13.1169 -12.1259 -12.1204 -12.1187 -12.1133 -6.8534 -6.8534 -2.2874 -2.2643 -2.0022 -1.9769 -1.6323 -1.6302 -0.4629 -0.4629 0.0249 0.0508 0.0697 0.0959 0.6650 0.6784 0.7079 0.7221 1.8099 1.8103 2.2035 2.2073 2.2608 2.2658 3.3408 3.3566 3.3890 3.3896 3.4053 3.4152 3.7156 3.7171 3.8114 3.8164 3.8227 3.8269 3.8985 3.8995 4.6145 4.6191 4.6259 4.6324 7.2656 7.2801 7.2974 7.3114 7.7940 7.7943 11.3998 11.4052 12.7678 12.7705 13.2164 13.3387 k = 0.0000 0.0000 0.1088 ( 6889 PWs) bands (ev): -43.9344 -43.9344 -17.2876 -17.2876 -15.9865 -15.9858 -15.8132 -15.8121 -15.8039 -15.8036 -13.9755 -13.9695 -13.8716 -13.8653 -13.1195 -13.1195 -12.1271 -12.1216 -12.1190 -12.1136 -6.8513 -6.8513 -2.2900 -2.2637 -2.0048 -1.9759 -1.6351 -1.6327 -0.4512 -0.4512 0.0239 0.0534 0.0686 0.0986 0.6599 0.6732 0.7089 0.7231 1.8118 1.8122 2.2045 2.2090 2.2620 2.2678 3.3341 3.3501 3.3801 3.3809 3.4069 3.4162 3.7081 3.7097 3.8172 3.8218 3.8284 3.8323 3.8885 3.8895 4.6151 4.6203 4.6265 4.6338 7.2649 7.2793 7.3013 7.3151 7.8098 7.8101 11.3925 11.3985 12.7934 12.7978 13.2065 13.3445 k = 0.0000 0.0000 0.1244 ( 6913 PWs) bands (ev): -43.9344 -43.9344 -17.2874 -17.2874 -15.9863 -15.9855 -15.8133 -15.8122 -15.8032 -15.8030 -13.9752 -13.9685 -13.8712 -13.8643 -13.1225 -13.1224 -12.1284 -12.1229 -12.1194 -12.1140 -6.8489 -6.8489 -2.2925 -2.2633 -2.0074 -1.9752 -1.6383 -1.6356 -0.4380 -0.4379 0.0230 0.0559 0.0678 0.1012 0.6548 0.6680 0.7093 0.7235 1.8138 1.8143 2.2058 2.2108 2.2634 2.2700 3.3276 3.3438 3.3696 3.3706 3.4077 3.4165 3.6982 3.6999 3.8236 3.8277 3.8348 3.8381 3.8792 3.8803 4.6158 4.6216 4.6272 4.6354 7.2645 7.2789 7.3051 7.3188 7.8274 7.8278 11.3845 11.3912 12.8215 12.8286 13.1981 13.3496 k = 0.0000 0.0000 0.1399 ( 6907 PWs) bands (ev): -43.9344 -43.9344 -17.2872 -17.2872 -15.9860 -15.9851 -15.8134 -15.8122 -15.8024 -15.8021 -13.9748 -13.9674 -13.8708 -13.8632 -13.1257 -13.1257 -12.1298 -12.1243 -12.1199 -12.1145 -6.8462 -6.8462 -2.2950 -2.2631 -2.0098 -1.9747 -1.6417 -1.6387 -0.4232 -0.4232 0.0224 0.0584 0.0673 0.1038 0.6497 0.6628 0.7091 0.7234 1.8162 1.8167 2.2072 2.2128 2.2650 2.2724 3.3214 3.3378 3.3575 3.3588 3.4079 3.4162 3.6859 3.6875 3.8307 3.8339 3.8419 3.8443 3.8713 3.8723 4.6167 4.6230 4.6281 4.6370 7.2646 7.2789 7.3089 7.3225 7.8466 7.8470 11.3760 11.3832 12.8514 12.8624 13.1922 13.3541 k = 0.0000 0.0000 0.1555 ( 6889 PWs) bands (ev): -43.9344 -43.9344 -17.2870 -17.2870 -15.9857 -15.9847 -15.8135 -15.8121 -15.8015 -15.8012 -13.9743 -13.9664 -13.8703 -13.8621 -13.1293 -13.1292 -12.1311 -12.1257 -12.1205 -12.1151 -6.8433 -6.8433 -2.2973 -2.2632 -2.0121 -1.9745 -1.6454 -1.6421 -0.4070 -0.4070 0.0221 0.0608 0.0670 0.1063 0.6446 0.6578 0.7085 0.7227 1.8187 1.8193 2.2088 2.2148 2.2668 2.2749 3.3154 3.3323 3.3436 3.3455 3.4075 3.4154 3.6711 3.6726 3.8383 3.8403 3.8494 3.8508 3.8650 3.8660 4.6177 4.6244 4.6292 4.6386 7.2649 7.2792 7.3127 7.3262 7.8672 7.8677 11.3671 11.3748 12.8817 12.8988 13.1898 13.3582 k = 0.0000 0.0000 0.1710 ( 6883 PWs) bands (ev): -43.9344 -43.9344 -17.2868 -17.2868 -15.9853 -15.9843 -15.8136 -15.8121 -15.8006 -15.8002 -13.9737 -13.9653 -13.8696 -13.8610 -13.1330 -13.1329 -12.1325 -12.1271 -12.1212 -12.1159 -6.8402 -6.8402 -2.2996 -2.2635 -2.0144 -1.9746 -1.6493 -1.6458 -0.3895 -0.3895 0.0221 0.0631 0.0670 0.1087 0.6397 0.6528 0.7073 0.7216 1.8214 1.8220 2.2105 2.2170 2.2688 2.2775 3.3092 3.3272 3.3278 3.3311 3.4066 3.4141 3.6544 3.6556 3.8460 3.8468 3.8572 3.8575 3.8606 3.8616 4.6188 4.6258 4.6304 4.6403 7.2657 7.2799 7.3163 7.3297 7.8889 7.8894 11.3579 11.3660 12.9110 12.9371 13.1924 13.3624 k = 0.0000 0.0000 0.1866 ( 6871 PWs) bands (ev): -43.9344 -43.9344 -17.2866 -17.2866 -15.9849 -15.9838 -15.8136 -15.8122 -15.7995 -15.7992 -13.9731 -13.9643 -13.8689 -13.8598 -13.1369 -13.1369 -12.1339 -12.1285 -12.1221 -12.1168 -6.8370 -6.8370 -2.3018 -2.2641 -2.0164 -1.9749 -1.6533 -1.6497 -0.3709 -0.3709 0.0223 0.0652 0.0673 0.1110 0.6349 0.6480 0.7056 0.7199 1.8243 1.8249 2.2123 2.2193 2.2709 2.2801 3.3009 3.3099 3.3174 3.3227 3.4052 3.4123 3.6361 3.6372 3.8527 3.8528 3.8584 3.8601 3.8642 3.8655 4.6201 4.6273 4.6318 4.6420 7.2668 7.2809 7.3198 7.3331 7.9115 7.9119 11.3486 11.3570 12.9372 12.9766 13.2019 13.3674 k = 0.0000 0.0000 0.2021 ( 6871 PWs) bands (ev): -43.9344 -43.9344 -17.2864 -17.2864 -15.9846 -15.9834 -15.8137 -15.8122 -15.7985 -15.7982 -13.9723 -13.9632 -13.8681 -13.8587 -13.1410 -13.1409 -12.1353 -12.1299 -12.1231 -12.1178 -6.8337 -6.8336 -2.3038 -2.2650 -2.0183 -1.9755 -1.6575 -1.6538 -0.3514 -0.3513 0.0227 0.0672 0.0679 0.1131 0.6304 0.6434 0.7034 0.7176 1.8272 1.8279 2.2142 2.2215 2.2731 2.2829 3.2862 3.2900 3.3086 3.3187 3.4034 3.4102 3.6171 3.6179 3.8546 3.8548 3.8616 3.8648 3.8710 3.8738 4.6214 4.6287 4.6333 4.6437 7.2682 7.2822 7.3232 7.3363 7.9346 7.9350 11.3393 11.3479 12.9585 13.0161 13.2202 13.3740 k = 0.0000 0.0000 0.2176 ( 6871 PWs) bands (ev): -43.9344 -43.9344 -17.2862 -17.2862 -15.9842 -15.9830 -15.8138 -15.8122 -15.7974 -15.7971 -13.9715 -13.9622 -13.8672 -13.8576 -13.1452 -13.1451 -12.1366 -12.1312 -12.1241 -12.1189 -6.8302 -6.8302 -2.3057 -2.2661 -2.0201 -1.9763 -1.6618 -1.6579 -0.3310 -0.3309 0.0235 0.0687 0.0689 0.1150 0.6260 0.6391 0.7007 0.7149 1.8303 1.8310 2.2162 2.2238 2.2754 2.2856 3.2659 3.2679 3.3038 3.3153 3.4012 3.4077 3.5980 3.5986 3.8546 3.8547 3.8680 3.8727 3.8779 3.8821 4.6228 4.6302 4.6348 4.6454 7.2700 7.2839 7.3263 7.3394 7.9580 7.9585 11.3300 11.3388 12.9738 13.0540 13.2481 13.3836 k = 0.0000 0.0000 0.2332 ( 6859 PWs) bands (ev): -43.9344 -43.9344 -17.2860 -17.2860 -15.9838 -15.9826 -15.8138 -15.8123 -15.7963 -15.7960 -13.9706 -13.9612 -13.8662 -13.8566 -13.1495 -13.1494 -12.1379 -12.1325 -12.1253 -12.1201 -6.8267 -6.8267 -2.3074 -2.2675 -2.0216 -1.9774 -1.6662 -1.6622 -0.3099 -0.3098 0.0244 0.0698 0.0705 0.1167 0.6220 0.6351 0.6975 0.7118 1.8335 1.8342 2.2183 2.2262 2.2778 2.2883 3.2426 3.2439 3.3007 3.3126 3.3987 3.4050 3.5793 3.5797 3.8551 3.8551 3.8747 3.8808 3.8847 3.8903 4.6242 4.6317 4.6365 4.6471 7.2720 7.2859 7.3291 7.3421 7.9815 7.9820 11.3209 11.3297 12.9835 13.0885 13.2854 13.3982 k = 0.0000 0.0000 0.2487 ( 6859 PWs) bands (ev): -43.9344 -43.9344 -17.2857 -17.2857 -15.9834 -15.9822 -15.8139 -15.8123 -15.7952 -15.7948 -13.9696 -13.9602 -13.8652 -13.8556 -13.1538 -13.1537 -12.1391 -12.1338 -12.1265 -12.1213 -6.8232 -6.8232 -2.3089 -2.2690 -2.0229 -1.9787 -1.6705 -1.6665 -0.2884 -0.2883 0.0256 0.0711 0.0719 0.1182 0.6183 0.6315 0.6939 0.7082 1.8366 1.8374 2.2204 2.2284 2.2803 2.2910 3.2171 3.2180 3.2987 3.3105 3.3959 3.4020 3.5615 3.5618 3.8560 3.8561 3.8813 3.8889 3.8914 3.8982 4.6257 4.6331 4.6382 4.6486 7.2744 7.2881 7.3317 7.3446 8.0049 8.0054 11.3120 11.3207 12.9888 13.1174 13.3304 13.4197 k = 0.0000 0.0000 0.2643 ( 6841 PWs) bands (ev): -43.9344 -43.9344 -17.2855 -17.2855 -15.9830 -15.9817 -15.8140 -15.8124 -15.7940 -15.7937 -13.9686 -13.9593 -13.8642 -13.8546 -13.1580 -13.1579 -12.1403 -12.1349 -12.1278 -12.1226 -6.8197 -6.8197 -2.3101 -2.2708 -2.0239 -1.9802 -1.6748 -1.6708 -0.2666 -0.2665 0.0271 0.0727 0.0730 0.1195 0.6151 0.6282 0.6900 0.7042 1.8398 1.8405 2.2225 2.2306 2.2828 2.2936 3.1900 3.1906 3.2976 3.3091 3.3930 3.3989 3.5449 3.5450 3.8574 3.8576 3.8879 3.8967 3.8979 3.9059 4.6273 4.6344 4.6400 4.6502 7.2771 7.2907 7.3340 7.3468 8.0279 8.0284 11.3034 11.3120 12.9915 13.1388 13.3816 13.4497 k = 0.0000 0.0000 0.2798 ( 6835 PWs) bands (ev): -43.9344 -43.9344 -17.2853 -17.2853 -15.9825 -15.9814 -15.8140 -15.8125 -15.7928 -15.7925 -13.9676 -13.9585 -13.8631 -13.8537 -13.1622 -13.1621 -12.1413 -12.1361 -12.1291 -12.1239 -6.8163 -6.8163 -2.3112 -2.2727 -2.0247 -1.9820 -1.6790 -1.6750 -0.2448 -0.2447 0.0288 0.0739 0.0745 0.1205 0.6122 0.6254 0.6856 0.6998 1.8430 1.8437 2.2246 2.2327 2.2853 2.2960 3.1616 3.1620 3.2971 3.3083 3.3897 3.3955 3.5296 3.5297 3.8591 3.8593 3.8943 3.9041 3.9043 3.9132 4.6288 4.6357 4.6417 4.6516 7.2800 7.2935 7.3359 7.3486 8.0504 8.0508 11.2952 11.3036 12.9926 13.1524 13.4375 13.4886 k = 0.0000 0.0000 0.2954 ( 6829 PWs) bands (ev): -43.9344 -43.9344 -17.2851 -17.2851 -15.9822 -15.9810 -15.8140 -15.8126 -15.7917 -15.7914 -13.9666 -13.9577 -13.8620 -13.8529 -13.1663 -13.1662 -12.1423 -12.1371 -12.1304 -12.1253 -6.8130 -6.8130 -2.3120 -2.2748 -2.0253 -1.9839 -1.6830 -1.6792 -0.2232 -0.2231 0.0306 0.0745 0.0765 0.1213 0.6097 0.6230 0.6810 0.6952 1.8461 1.8468 2.2267 2.2347 2.2877 2.2984 3.1325 3.1328 3.2974 3.3082 3.3863 3.3920 3.5157 3.5158 3.8610 3.8612 3.9005 3.9105 3.9111 3.9201 4.6304 4.6370 4.6435 4.6530 7.2831 7.2965 7.3375 7.3501 8.0720 8.0724 11.2874 11.2955 12.9931 13.1591 13.4971 13.5354 k = 0.0000 0.0000 0.3109 ( 6829 PWs) bands (ev): -43.9344 -43.9344 -17.2849 -17.2849 -15.9818 -15.9807 -15.8141 -15.8127 -15.7906 -15.7904 -13.9655 -13.9570 -13.8609 -13.8521 -13.1702 -13.1702 -12.1432 -12.1380 -12.1318 -12.1267 -6.8098 -6.8098 -2.3126 -2.2770 -2.0256 -1.9860 -1.6869 -1.6832 -0.2020 -0.2019 0.0327 0.0748 0.0787 0.1218 0.6077 0.6211 0.6761 0.6903 1.8491 1.8498 2.2288 2.2365 2.2902 2.3005 3.1032 3.1035 3.2982 3.3087 3.3827 3.3884 3.5032 3.5033 3.8629 3.8632 3.9064 3.9164 3.9176 3.9265 4.6318 4.6381 4.6453 4.6542 7.2865 7.2997 7.3387 7.3512 8.0926 8.0929 11.2801 11.2878 12.9936 13.1601 13.5595 13.5885 k = 0.0000 0.0000 0.3265 ( 6818 PWs) bands (ev): -43.9344 -43.9344 -17.2847 -17.2847 -15.9814 -15.9804 -15.8141 -15.8127 -15.7896 -15.7893 -13.9645 -13.9564 -13.8597 -13.8515 -13.1740 -13.1739 -12.1440 -12.1388 -12.1332 -12.1281 -6.8067 -6.8067 -2.3129 -2.2793 -2.0256 -1.9882 -1.6906 -1.6870 -0.1815 -0.1814 0.0350 0.0749 0.0812 0.1220 0.6063 0.6197 0.6710 0.6851 1.8520 1.8526 2.2308 2.2383 2.2926 2.3025 3.0743 3.0745 3.2997 3.3097 3.3790 3.3846 3.4920 3.4921 3.8649 3.8652 3.9121 3.9221 3.9235 3.9323 4.6333 4.6391 4.6470 4.6554 7.2900 7.3031 7.3395 7.3519 8.1120 8.1123 11.2733 11.2806 12.9944 13.1570 13.5948 13.6240 k = 0.0000 0.0000 0.3420 ( 6824 PWs) bands (ev): -43.9344 -43.9344 -17.2845 -17.2845 -15.9811 -15.9801 -15.8141 -15.8128 -15.7886 -15.7884 -13.9634 -13.9559 -13.8586 -13.8509 -13.1775 -13.1774 -12.1446 -12.1394 -12.1346 -12.1295 -6.8038 -6.8038 -2.3130 -2.2818 -2.0254 -1.9905 -1.6940 -1.6907 -0.1619 -0.1618 0.0373 0.0746 0.0837 0.1219 0.6053 0.6188 0.6657 0.6799 1.8547 1.8553 2.2328 2.2398 2.2949 2.3043 3.0463 3.0464 3.3017 3.3113 3.3751 3.3806 3.4821 3.4823 3.8669 3.8671 3.9174 3.9274 3.9288 3.9376 4.6347 4.6401 4.6486 4.6564 7.2936 7.3066 7.3399 7.3522 8.1301 8.1304 11.2671 11.2739 12.9960 13.1508 13.5946 13.6900 k = 0.0000 0.0000 0.3576 ( 6806 PWs) bands (ev): -43.9344 -43.9344 -17.2843 -17.2843 -15.9807 -15.9798 -15.8141 -15.8129 -15.7877 -15.7875 -13.9624 -13.9555 -13.8575 -13.8504 -13.1808 -13.1807 -12.1451 -12.1400 -12.1359 -12.1309 -6.8012 -6.8012 -2.3129 -2.2842 -2.0249 -1.9930 -1.6971 -1.6940 -0.1435 -0.1434 0.0398 0.0741 0.0864 0.1215 0.6049 0.6185 0.6604 0.6745 1.8572 1.8578 2.2346 2.2411 2.2971 2.3058 3.0197 3.0198 3.3042 3.3134 3.3711 3.3767 3.4734 3.4736 3.8687 3.8690 3.9225 3.9324 3.9335 3.9422 4.6361 4.6409 4.6502 4.6573 7.2974 7.3102 7.3399 7.3521 8.1467 8.1470 11.2615 11.2677 12.9984 13.1426 13.5960 13.7568 k = 0.0000 0.0000 0.3731 ( 6812 PWs) bands (ev): -43.9344 -43.9344 -17.2841 -17.2841 -15.9804 -15.9796 -15.8141 -15.8130 -15.7869 -15.7867 -13.9614 -13.9552 -13.8565 -13.8501 -13.1837 -13.1836 -12.1455 -12.1404 -12.1372 -12.1322 -6.7988 -6.7988 -2.3125 -2.2868 -2.0242 -1.9955 -1.6999 -1.6971 -0.1265 -0.1264 0.0425 0.0733 0.0892 0.1208 0.6050 0.6187 0.6549 0.6691 1.8595 1.8600 2.2364 2.2423 2.2991 2.3071 2.9950 2.9951 3.3072 3.3159 3.3669 3.3725 3.4659 3.4661 3.8705 3.8707 3.9271 3.9369 3.9375 3.9462 4.6373 4.6416 4.6517 4.6580 7.3011 7.3139 7.3394 7.3517 8.1617 8.1619 11.2566 11.2621 13.0017 13.1328 13.5988 13.7567 k = 0.0000 0.0000 0.3887 ( 6812 PWs) bands (ev): -43.9344 -43.9344 -17.2840 -17.2840 -15.9802 -15.9795 -15.8140 -15.8131 -15.7861 -15.7860 -13.9604 -13.9550 -13.8555 -13.8499 -13.1863 -13.1863 -12.1457 -12.1406 -12.1385 -12.1335 -6.7966 -6.7966 -2.3118 -2.2893 -2.0232 -1.9981 -1.7024 -1.6999 -0.1113 -0.1112 0.0451 0.0723 0.0920 0.1198 0.6057 0.6194 0.6496 0.6637 1.8616 1.8620 2.2380 2.2432 2.3011 2.3081 2.9726 2.9727 3.3105 3.3189 3.3626 3.3683 3.4595 3.4597 3.8720 3.8722 3.9314 3.9408 3.9411 3.9496 4.6384 4.6422 4.6531 4.6586 7.3049 7.3176 7.3386 7.3508 8.1749 8.1751 11.2523 11.2572 13.0061 13.1221 13.6031 13.7415 k = 0.0000 0.0000 0.4042 ( 6812 PWs) bands (ev): -43.9344 -43.9344 -17.2839 -17.2839 -15.9799 -15.9793 -15.8140 -15.8133 -15.7855 -15.7853 -13.9595 -13.9549 -13.8545 -13.8497 -13.1886 -13.1885 -12.1459 -12.1408 -12.1397 -12.1347 -6.7948 -6.7948 -2.3109 -2.2918 -2.0220 -2.0007 -1.7045 -1.7024 -0.0979 -0.0978 0.0478 0.0710 0.0949 0.1185 0.6070 0.6207 0.6442 0.6584 1.8634 1.8638 2.2394 2.2439 2.3028 2.3089 2.9530 2.9531 3.3141 3.3221 3.3583 3.3640 3.4542 3.4543 3.8734 3.8736 3.9352 3.9435 3.9449 3.9523 4.6395 4.6426 4.6544 4.6590 7.3087 7.3213 7.3374 7.3495 8.1862 8.1864 11.2487 11.2528 13.0116 13.1107 13.6088 13.7263 k = 0.0000 0.0000 0.4197 ( 6818 PWs) bands (ev): -43.9344 -43.9344 -17.2838 -17.2838 -15.9797 -15.9792 -15.8140 -15.8134 -15.7849 -15.7848 -13.9587 -13.9549 -13.8536 -13.8497 -13.1905 -13.1904 -12.1458 -12.1408 -12.1408 -12.1358 -6.7932 -6.7932 -2.3098 -2.2943 -2.0206 -2.0032 -1.7062 -1.7044 -0.0867 -0.0866 0.0506 0.0694 0.0977 0.1170 0.6087 0.6226 0.6391 0.6532 1.8649 1.8652 2.2407 2.2444 2.3044 2.3094 2.9364 2.9365 3.3181 3.3257 3.3538 3.3597 3.4498 3.4499 3.8746 3.8747 3.9386 3.9455 3.9481 3.9543 4.6404 4.6429 4.6555 4.6592 7.3125 7.3249 7.3358 7.3479 8.1956 8.1958 11.2458 11.2492 13.0181 13.0990 13.6159 13.7113 k = 0.0000 0.0000 0.4353 ( 6806 PWs) bands (ev): -43.9344 -43.9344 -17.2837 -17.2837 -15.9795 -15.9792 -15.8140 -15.8135 -15.7844 -15.7843 -13.9579 -13.9550 -13.8528 -13.8498 -13.1920 -13.1919 -12.1456 -12.1418 -12.1406 -12.1368 -6.7920 -6.7920 -2.3085 -2.2967 -2.0190 -2.0058 -1.7075 -1.7061 -0.0777 -0.0776 0.0533 0.0676 0.1006 0.1153 0.6110 0.6249 0.6341 0.6482 1.8661 1.8664 2.2419 2.2447 2.3059 2.3096 2.9232 2.9233 3.3223 3.3296 3.3493 3.3553 3.4465 3.4466 3.8755 3.8756 3.9415 3.9468 3.9509 3.9557 4.6412 4.6431 4.6565 4.6594 7.3161 7.3285 7.3338 7.3460 8.2031 8.2032 11.2436 11.2462 13.0256 13.0872 13.6243 13.6967 k = 0.0000 0.0000 0.4508 ( 6830 PWs) bands (ev): -43.9344 -43.9344 -17.2837 -17.2837 -15.9794 -15.9792 -15.8139 -15.8136 -15.7842 -15.7841 -13.9572 -13.9553 -13.8520 -13.8501 -13.1930 -13.1930 -12.1453 -12.1428 -12.1403 -12.1378 -6.7912 -6.7912 -2.3069 -2.2990 -2.0171 -2.0083 -1.7083 -1.7074 -0.0712 -0.0712 0.0559 0.0656 0.1034 0.1132 0.6138 0.6277 0.6293 0.6434 1.8670 1.8672 2.2429 2.2448 2.3071 2.3096 2.9136 2.9136 3.3266 3.3336 3.3447 3.3508 3.4441 3.4442 3.8762 3.8762 3.9438 3.9474 3.9531 3.9564 4.6419 4.6431 4.6574 4.6593 7.3196 7.3315 7.3319 7.3437 8.2084 8.2084 11.2422 11.2439 13.0341 13.0756 13.6339 13.6826 k = 0.0000 0.0000 0.4664 ( 6794 PWs) bands (ev): -43.9344 -43.9344 -17.2836 -17.2836 -15.9792 -15.9791 -15.8138 -15.8136 -15.7839 -15.7839 -13.9565 -13.9556 -13.8514 -13.8504 -13.1937 -13.1937 -12.1449 -12.1436 -12.1398 -12.1386 -6.7906 -6.7906 -2.3052 -2.3012 -2.0151 -2.0107 -1.7087 -1.7083 -0.0672 -0.0672 0.0586 0.0634 0.1061 0.1110 0.6171 0.6249 0.6311 0.6389 1.8676 1.8677 2.2437 2.2446 2.3081 2.3094 2.9078 2.9078 3.3311 3.3378 3.3402 3.3465 3.4428 3.4428 3.8766 3.8766 3.9456 3.9475 3.9549 3.9565 4.6424 4.6430 4.6581 4.6591 7.3230 7.3290 7.3352 7.3411 8.2116 8.2117 11.2415 11.2424 13.0434 13.0643 13.6447 13.6692 k = 0.0000 0.0000 0.4819 ( 6818 PWs) bands (ev): -43.9344 -43.9344 -17.2836 -17.2836 -15.9792 -15.9792 -15.8137 -15.8137 -15.7840 -15.7840 -13.9560 -13.9560 -13.8508 -13.8508 -13.1939 -13.1939 -12.1443 -12.1443 -12.1393 -12.1393 -6.7905 -6.7905 -2.3033 -2.3033 -2.0130 -2.0130 -1.7087 -1.7087 -0.0660 -0.0660 0.0610 0.0610 0.1086 0.1086 0.6208 0.6208 0.6348 0.6348 1.8678 1.8678 2.2442 2.2442 2.3088 2.3088 2.9058 2.9058 3.3356 3.3356 3.3421 3.3421 3.4423 3.4423 3.8767 3.8767 3.9468 3.9468 3.9560 3.9560 4.6428 4.6428 4.6587 4.6587 7.3261 7.3261 7.3383 7.3383 8.2127 8.2127 11.2416 11.2416 13.0535 13.0535 13.6565 13.6565 k = 0.0000 0.0000 0.4819 ( 6818 PWs) bands (ev): -43.9344 -43.9344 -17.2836 -17.2836 -15.9792 -15.9792 -15.8137 -15.8137 -15.7840 -15.7840 -13.9560 -13.9560 -13.8508 -13.8508 -13.1939 -13.1939 -12.1443 -12.1443 -12.1393 -12.1393 -6.7905 -6.7905 -2.3033 -2.3033 -2.0130 -2.0130 -1.7087 -1.7087 -0.0660 -0.0660 0.0610 0.0610 0.1086 0.1086 0.6208 0.6208 0.6348 0.6348 1.8678 1.8678 2.2442 2.2442 2.3088 2.3088 2.9058 2.9058 3.3356 3.3356 3.3421 3.3421 3.4423 3.4423 3.8767 3.8767 3.9468 3.9468 3.9560 3.9560 4.6428 4.6428 4.6587 4.6587 7.3261 7.3261 7.3383 7.3383 8.2127 8.2127 11.2416 11.2416 13.0535 13.0535 13.6565 13.6565 k = 0.0135 0.0078 0.4819 ( 6820 PWs) bands (ev): -43.9344 -43.9344 -17.2831 -17.2831 -15.9794 -15.9790 -15.8138 -15.8138 -15.7842 -15.7838 -13.9568 -13.9564 -13.8515 -13.8515 -13.1938 -13.1936 -12.1445 -12.1443 -12.1394 -12.1394 -6.7888 -6.7888 -2.3033 -2.3024 -2.0123 -2.0123 -1.7104 -1.7096 -0.0668 -0.0655 0.0606 0.0606 0.1079 0.1083 0.6214 0.6235 0.6365 0.6365 1.8658 1.8701 2.2396 2.2441 2.3065 2.3065 2.9051 2.9060 3.3291 3.3310 3.3400 3.3408 3.4499 3.4516 3.8763 3.8790 3.9465 3.9469 3.9557 3.9558 4.6428 4.6429 4.6575 4.6603 7.3251 7.3251 7.3364 7.3383 8.2134 8.2145 11.2392 11.2470 13.0525 13.0535 13.6553 13.6553 k = 0.0270 0.0156 0.4819 ( 6828 PWs) bands (ev): -43.9344 -43.9344 -17.2816 -17.2816 -15.9796 -15.9789 -15.8138 -15.8138 -15.7844 -15.7836 -13.9589 -13.9581 -13.8534 -13.8534 -13.1932 -13.1928 -12.1451 -12.1446 -12.1398 -12.1398 -6.7839 -6.7839 -2.3024 -2.3006 -2.0103 -2.0103 -1.7147 -1.7131 -0.0680 -0.0653 0.0592 0.0594 0.1063 0.1069 0.6251 0.6289 0.6418 0.6421 1.8641 1.8728 2.2300 2.2392 2.2996 2.2997 2.9039 2.9056 3.3123 3.3139 3.3394 3.3421 3.4697 3.4722 3.8776 3.8827 3.9456 3.9468 3.9552 3.9554 4.6425 4.6431 4.6570 4.6622 7.3220 7.3221 7.3329 7.3367 8.2167 8.2188 11.2399 11.2555 13.0504 13.0523 13.6518 13.6519 k = 0.0405 0.0234 0.4819 ( 6832 PWs) bands (ev): -43.9344 -43.9344 -17.2791 -17.2790 -15.9799 -15.9788 -15.8138 -15.8138 -15.7848 -15.7836 -13.9623 -13.9612 -13.8565 -13.8564 -13.1922 -13.1917 -12.1458 -12.1451 -12.1405 -12.1405 -6.7758 -6.7757 -2.3006 -2.2979 -2.0070 -2.0070 -1.7214 -1.7189 -0.0697 -0.0656 0.0568 0.0575 0.1039 0.1047 0.6310 0.6359 0.6514 0.6526 1.8620 1.8756 2.2155 2.2301 2.2886 2.2888 2.9024 2.9046 3.2916 3.2928 3.3401 3.3445 3.4949 3.4978 3.8798 3.8866 3.9445 3.9475 3.9548 3.9553 4.6417 4.6436 4.6576 4.6644 7.3161 7.3167 7.3286 7.3338 8.2224 8.2255 11.2436 11.2670 13.0475 13.0499 13.6462 13.6462 k = 0.0541 0.0312 0.4819 ( 6816 PWs) bands (ev): -43.9344 -43.9344 -17.2756 -17.2755 -15.9801 -15.9787 -15.8138 -15.8138 -15.7851 -15.7835 -13.9671 -13.9657 -13.8605 -13.8604 -13.1908 -13.1900 -12.1468 -12.1459 -12.1414 -12.1414 -6.7645 -6.7644 -2.2981 -2.2944 -2.0023 -2.0023 -1.7304 -1.7271 -0.0720 -0.0665 0.0534 0.0550 0.1010 0.1018 0.6385 0.6440 0.6657 0.6681 1.8588 1.8778 2.1965 2.2173 2.2738 2.2743 2.9007 2.9032 3.2708 3.2714 3.3416 3.3473 3.5220 3.5249 3.8814 3.8886 3.9443 3.9496 3.9557 3.9559 4.6401 4.6443 4.6595 4.6669 7.3070 7.3086 7.3240 7.3301 8.2305 8.2346 11.2502 11.2813 13.0436 13.0465 13.6384 13.6385 k = 0.0676 0.0390 0.4819 ( 6816 PWs) bands (ev): -43.9344 -43.9344 -17.2711 -17.2710 -15.9804 -15.9786 -15.8139 -15.8139 -15.7855 -15.7836 -13.9735 -13.9718 -13.8654 -13.8651 -13.1889 -13.1880 -12.1481 -12.1469 -12.1425 -12.1425 -6.7501 -6.7500 -2.2948 -2.2902 -1.9964 -1.9963 -1.7413 -1.7372 -0.0751 -0.0681 0.0492 0.0520 0.0979 0.0985 0.6474 0.6533 0.6845 0.6881 1.8532 1.8783 2.1738 2.2018 2.2557 2.2565 2.8989 2.9014 3.2513 3.2513 3.3437 3.3505 3.5494 3.5521 3.8803 3.8866 3.9469 3.9521 3.9573 3.9611 4.6379 4.6449 4.6625 4.6699 7.2949 7.2977 7.3190 7.3257 8.2409 8.2458 11.2594 11.2985 13.0391 13.0419 13.6288 13.6290 k = 0.0811 0.0468 0.4819 ( 6818 PWs) bands (ev): -43.9344 -43.9344 -17.2656 -17.2655 -15.9807 -15.9785 -15.8139 -15.8139 -15.7860 -15.7837 -13.9817 -13.9799 -13.8707 -13.8703 -13.1867 -13.1856 -12.1495 -12.1482 -12.1439 -12.1439 -6.7327 -6.7326 -2.2909 -2.2853 -1.9891 -1.9891 -1.7540 -1.7491 -0.0792 -0.0707 0.0445 0.0488 0.0947 0.0951 0.6576 0.6639 0.7075 0.7122 1.8438 1.8755 2.1487 2.1851 2.2351 2.2359 2.8974 2.8993 3.2333 3.2338 3.3460 3.3537 3.5760 3.5785 3.8750 3.8800 3.9527 3.9537 3.9605 3.9727 4.6353 4.6455 4.6665 4.6733 7.2802 7.2842 7.3135 7.3206 8.2532 8.2590 11.2711 11.3181 13.0339 13.0362 13.6174 13.6178 k = 0.0946 0.0546 0.4819 ( 6816 PWs) bands (ev): -43.9344 -43.9344 -17.2592 -17.2591 -15.9810 -15.9785 -15.8140 -15.8140 -15.7865 -15.7838 -13.9918 -13.9899 -13.8763 -13.8757 -13.1840 -13.1828 -12.1512 -12.1497 -12.1456 -12.1455 -6.7124 -6.7123 -2.2864 -2.2798 -1.9807 -1.9807 -1.7681 -1.7623 -0.0845 -0.0747 0.0397 0.0456 0.0915 0.0917 0.6690 0.6758 0.7342 0.7398 1.8288 1.8671 2.1229 2.1685 2.2129 2.2132 2.8963 2.8973 3.2179 3.2187 3.3486 3.3570 3.6013 3.6035 3.8656 3.8696 3.9558 3.9581 3.9689 3.9885 4.6324 4.6460 4.6712 4.6774 7.2632 7.2683 7.3075 7.3150 8.2675 8.2740 11.2852 11.3402 13.0282 13.0295 13.6046 13.6053 k = 0.1081 0.0624 0.4819 ( 6820 PWs) bands (ev): -43.9344 -43.9344 -17.2519 -17.2517 -15.9813 -15.9785 -15.8141 -15.8141 -15.7871 -15.7840 -14.0040 -14.0020 -13.8820 -13.8810 -13.1809 -13.1796 -12.1531 -12.1514 -12.1474 -12.1473 -6.6894 -6.6892 -2.2816 -2.2740 -1.9712 -1.9712 -1.7831 -1.7765 -0.0912 -0.0802 0.0353 0.0427 0.0884 0.0885 0.6815 0.6889 0.7642 0.7706 1.8068 1.8504 2.0979 2.1517 2.1908 2.1908 2.8955 2.8959 3.2052 3.2060 3.3513 3.3601 3.6247 3.6265 3.8529 3.8563 3.9587 3.9621 3.9826 4.0070 4.6293 4.6463 4.6767 4.6822 7.2441 7.2501 7.3008 7.3087 8.2834 8.2906 11.3013 11.3643 13.0218 13.0222 13.5907 13.5916 k = 0.1216 0.0702 0.4819 ( 6830 PWs) bands (ev): -43.9344 -43.9344 -17.2436 -17.2435 -15.9817 -15.9785 -15.8142 -15.8142 -15.7877 -15.7842 -14.0183 -14.0164 -13.8875 -13.8862 -13.1775 -13.1760 -12.1552 -12.1533 -12.1494 -12.1493 -6.6638 -6.6636 -2.2767 -2.2679 -1.9607 -1.9607 -1.7984 -1.7909 -0.0994 -0.0876 0.0318 0.0403 0.0853 0.0855 0.6950 0.7030 0.7970 0.8041 1.7770 1.8236 2.0729 2.1302 2.1718 2.1745 2.8942 2.8964 3.1951 3.1958 3.3539 3.3631 3.6458 3.6473 3.8379 3.8407 3.9626 3.9665 3.9989 4.0271 4.6263 4.6465 4.6827 4.6874 7.2231 7.2301 7.2935 7.3018 8.3008 8.3086 11.3191 11.3902 13.0132 13.0160 13.5757 13.5771 k = 0.1351 0.0780 0.4819 ( 6830 PWs) bands (ev): -43.9344 -43.9344 -17.2346 -17.2344 -15.9820 -15.9786 -15.8143 -15.8143 -15.7884 -15.7845 -14.0347 -14.0329 -13.8927 -13.8911 -13.1737 -13.1721 -12.1574 -12.1554 -12.1517 -12.1516 -6.6358 -6.6356 -2.2717 -2.2619 -1.9496 -1.9495 -1.8134 -1.8051 -0.1090 -0.0968 0.0294 0.0388 0.0825 0.0828 0.7093 0.7180 0.8321 0.8399 1.7393 1.7867 2.0452 2.1006 2.1596 2.1682 2.8936 2.8981 3.1877 3.1879 3.3564 3.3658 3.6644 3.6657 3.8211 3.8235 3.9677 3.9718 4.0167 4.0483 4.6234 4.6467 4.6892 4.6932 7.2005 7.2083 7.2858 7.2943 8.3193 8.3276 11.3385 11.4177 13.0038 13.0096 13.5602 13.5620 k = 0.1486 0.0858 0.4819 ( 6834 PWs) bands (ev): -43.9344 -43.9344 -17.2247 -17.2245 -15.9824 -15.9786 -15.8144 -15.8144 -15.7891 -15.7849 -14.0531 -14.0513 -13.8976 -13.8957 -13.1696 -13.1679 -12.1599 -12.1576 -12.1541 -12.1540 -6.6056 -6.6054 -2.2670 -2.2562 -1.9382 -1.9381 -1.8271 -1.8180 -0.1200 -0.1076 0.0283 0.0380 0.0797 0.0805 0.7243 0.7338 0.8690 0.8774 1.6946 1.7409 2.0124 2.0650 2.1556 2.1695 2.8938 2.9008 3.1821 3.1827 3.3587 3.3683 3.6803 3.6813 3.8031 3.8051 3.9740 3.9782 4.0352 4.0699 4.6207 4.6469 4.6960 4.6994 7.1766 7.1850 7.2775 7.2863 8.3388 8.3476 11.3592 11.4465 12.9936 13.0032 13.5443 13.5465 k = 0.1622 0.0936 0.4819 ( 6832 PWs) bands (ev): -43.9344 -43.9344 -17.2141 -17.2139 -15.9828 -15.9787 -15.8145 -15.8144 -15.7899 -15.7853 -14.0733 -14.0717 -13.9022 -13.9000 -13.1652 -13.1634 -12.1625 -12.1600 -12.1566 -12.1565 -6.5734 -6.5732 -2.2629 -2.2511 -1.9275 -1.9275 -1.8380 -1.8284 -0.1320 -0.1199 0.0283 0.0381 0.0771 0.0785 0.7399 0.7502 0.9072 0.9161 1.6442 1.6884 1.9745 2.0257 2.1589 2.1757 2.8950 2.9048 3.1784 3.1800 3.3608 3.3704 3.6934 3.6943 3.7841 3.7857 3.9815 3.9856 4.0540 4.0914 4.6184 4.6473 4.7031 4.7059 7.1514 7.1605 7.2688 7.2778 8.3590 8.3681 11.3808 11.4763 12.9826 12.9969 13.5283 13.5310 k = 0.1757 0.1014 0.4819 ( 6834 PWs) bands (ev): -43.9344 -43.9344 -17.2028 -17.2026 -15.9832 -15.9788 -15.8146 -15.8145 -15.7907 -15.7858 -14.0952 -14.0936 -13.9066 -13.9041 -13.1605 -13.1586 -12.1652 -12.1626 -12.1592 -12.1592 -6.5394 -6.5392 -2.2597 -2.2470 -1.9196 -1.9190 -1.8439 -1.8342 -0.1449 -0.1331 0.0292 0.0389 0.0748 0.0769 0.7557 0.7669 0.9458 0.9555 1.5894 1.6309 1.9327 1.9840 2.1672 2.1853 2.8972 2.9100 3.1765 3.1794 3.3626 3.3723 3.7040 3.7047 3.7645 3.7657 3.9902 3.9939 4.0726 4.1124 4.6166 4.6479 4.7103 4.7125 7.1254 7.1349 7.2597 7.2689 8.3797 8.3891 11.4032 11.5067 12.9710 12.9907 13.5126 13.5156 k = 0.1892 0.1092 0.4819 ( 6838 PWs) bands (ev): -43.9344 -43.9344 -17.1908 -17.1905 -15.9836 -15.9789 -15.8147 -15.8146 -15.7916 -15.7863 -14.1185 -14.1170 -13.9107 -13.9079 -13.1555 -13.1536 -12.1681 -12.1653 -12.1621 -12.1620 -6.5039 -6.5037 -2.2577 -2.2442 -1.9163 -1.9144 -1.8421 -1.8333 -0.1585 -0.1472 0.0309 0.0403 0.0728 0.0757 0.7714 0.7837 0.9843 0.9948 1.5316 1.5701 1.8884 1.9406 2.1786 2.1971 2.9003 2.9162 3.1764 3.1806 3.3640 3.3737 3.7120 3.7127 3.7448 3.7454 3.9996 4.0031 4.0909 4.1327 4.6154 4.6488 4.7175 4.7192 7.0985 7.1085 7.2503 7.2596 8.4006 8.4102 11.4261 11.5376 12.9587 12.9846 13.4972 13.5006 k = 0.2027 0.1170 0.4819 ( 6838 PWs) bands (ev): -43.9344 -43.9344 -17.1782 -17.1779 -15.9841 -15.9791 -15.8148 -15.8147 -15.7925 -15.7869 -14.1430 -14.1416 -13.9145 -13.9116 -13.1503 -13.1484 -12.1711 -12.1681 -12.1649 -12.1647 -6.4671 -6.4669 -2.2572 -2.2432 -1.9174 -1.9139 -1.8325 -1.8251 -0.1724 -0.1616 0.0332 0.0423 0.0713 0.0749 0.7867 0.8002 1.0218 1.0333 1.4719 1.5072 1.8428 1.8966 2.1919 2.2101 2.9043 2.9233 3.1779 3.1836 3.3651 3.3748 3.7178 3.7180 3.7253 3.7256 4.0098 4.0128 4.1084 4.1519 4.6151 4.6502 4.7246 4.7257 7.0712 7.0815 7.2406 7.2500 8.4216 8.4314 11.4492 11.5685 12.9458 12.9787 13.4827 13.4861 k = 0.2162 0.1248 0.4819 ( 6846 PWs) bands (ev): -43.9344 -43.9344 -17.1651 -17.1648 -15.9845 -15.9793 -15.8150 -15.8148 -15.7934 -15.7876 -14.1685 -14.1672 -13.9182 -13.9151 -13.1450 -13.1430 -12.1743 -12.1711 -12.1678 -12.1675 -6.4292 -6.4290 -2.2585 -2.2442 -1.9200 -1.9155 -1.8176 -1.8112 -0.1864 -0.1762 0.0360 0.0447 0.0702 0.0747 0.8009 0.8159 1.0573 1.0698 1.4117 1.4437 1.7972 1.8529 2.2060 2.2238 2.9091 2.9311 3.1811 3.1883 3.3656 3.3753 3.7050 3.7050 3.7221 3.7231 4.0203 4.0229 4.1250 4.1697 4.6156 4.6520 4.7314 4.7321 7.0436 7.0542 7.2306 7.2401 8.4425 8.4523 11.4725 11.5993 12.9324 12.9728 13.4690 13.4724 k = 0.2297 0.1326 0.4819 ( 6850 PWs) bands (ev): -43.9344 -43.9344 -17.1515 -17.1513 -15.9849 -15.9795 -15.8151 -15.8149 -15.7944 -15.7883 -14.1948 -14.1935 -13.9217 -13.9185 -13.1394 -13.1375 -12.1775 -12.1742 -12.1707 -12.1703 -6.3905 -6.3903 -2.2617 -2.2475 -1.9220 -1.9171 -1.7992 -1.7937 -0.2004 -0.1907 0.0390 0.0474 0.0696 0.0751 0.8133 0.8301 1.0895 1.1032 1.3524 1.3807 1.7531 1.8109 2.2203 2.2375 2.9146 2.9395 3.1858 3.1945 3.3656 3.3753 3.6857 3.6863 3.7246 3.7254 4.0309 4.0331 4.1407 4.1860 4.6172 4.6544 4.7378 4.7380 7.0159 7.0266 7.2205 7.2300 8.4631 8.4728 11.4957 11.6297 12.9185 12.9671 13.4565 13.4596 k = 0.2432 0.1404 0.4819 ( 6854 PWs) bands (ev): -43.9344 -43.9344 -17.1376 -17.1373 -15.9854 -15.9798 -15.8152 -15.8150 -15.7954 -15.7890 -14.2216 -14.2204 -13.9250 -13.9217 -13.1338 -13.1318 -12.1809 -12.1776 -12.1735 -12.1731 -6.3514 -6.3511 -2.2670 -2.2531 -1.9221 -1.9173 -1.7788 -1.7737 -0.2142 -0.2050 0.0422 0.0504 0.0698 0.0761 0.8224 0.8416 1.1169 1.1316 1.2958 1.3201 1.7123 1.7721 2.2343 2.2508 2.9206 2.9482 3.1922 3.2022 3.3649 3.3747 3.6671 3.6683 3.7259 3.7265 4.0415 4.0434 4.1552 4.2006 4.6199 4.6574 4.7435 4.7437 6.9883 6.9991 7.2103 7.2197 8.4831 8.4928 11.5187 11.6594 12.9041 12.9613 13.4452 13.4478 k = 0.2568 0.1482 0.4819 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -17.1234 -17.1231 -15.9858 -15.9801 -15.8154 -15.8151 -15.7964 -15.7898 -14.2488 -14.2476 -13.9282 -13.9249 -13.1281 -13.1261 -12.1843 -12.1810 -12.1762 -12.1758 -6.3119 -6.3116 -2.2742 -2.2609 -1.9199 -1.9155 -1.7568 -1.7521 -0.2276 -0.2189 0.0455 0.0536 0.0707 0.0777 0.8265 0.8486 1.1376 1.1528 1.2444 1.2640 1.6772 1.7383 2.2476 2.2634 2.9269 2.9568 3.2001 3.2113 3.3636 3.3733 3.6497 3.6514 3.7261 3.7265 4.0519 4.0535 4.1685 4.2136 4.6237 4.6609 4.7483 4.7489 6.9610 6.9717 7.2001 7.2093 8.5026 8.5122 11.5414 11.6882 12.8895 12.9554 13.4353 13.4372 k = 0.2703 0.1560 0.4819 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -17.1090 -17.1087 -15.9863 -15.9804 -15.8155 -15.8152 -15.7974 -15.7907 -14.2761 -14.2749 -13.9313 -13.9279 -13.1223 -13.1204 -12.1879 -12.1846 -12.1788 -12.1785 -6.2725 -6.2722 -2.2831 -2.2705 -1.9151 -1.9116 -1.7337 -1.7293 -0.2405 -0.2323 0.0489 0.0570 0.0724 0.0801 0.8229 0.8485 1.1496 1.1642 1.2010 1.2155 1.6503 1.7116 2.2599 2.2751 2.9335 2.9653 3.2097 3.2218 3.3614 3.3710 3.6337 3.6359 3.7255 3.7255 4.0620 4.0633 4.1807 4.2248 4.6285 4.6650 4.7524 4.7533 6.9341 6.9448 7.1898 7.1989 8.5214 8.5307 11.5637 11.7159 12.8747 12.9492 13.4269 13.4279 k = 0.2838 0.1638 0.4819 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -17.0945 -17.0941 -15.9867 -15.9807 -15.8156 -15.8153 -15.7984 -15.7916 -14.3032 -14.3021 -13.9342 -13.9308 -13.1165 -13.1147 -12.1914 -12.1882 -12.1814 -12.1811 -6.2334 -6.2330 -2.2933 -2.2816 -1.9082 -1.9056 -1.7099 -1.7058 -0.2529 -0.2451 0.0525 0.0606 0.0748 0.0831 0.8090 0.8381 1.1507 1.1614 1.1691 1.1803 1.6338 1.6936 2.2710 2.2855 2.9401 2.9733 3.2209 3.2335 3.3585 3.3678 3.6193 3.6218 3.7239 3.7242 4.0717 4.0729 4.1917 4.2344 4.6344 4.6696 4.7558 4.7568 6.9078 6.9184 7.1797 7.1885 8.5393 8.5484 11.5856 11.7422 12.8598 12.9427 13.4199 13.4199 k = 0.2973 0.1716 0.4819 ( 6872 PWs) bands (ev): -43.9344 -43.9344 -17.0800 -17.0796 -15.9871 -15.9811 -15.8157 -15.8153 -15.7995 -15.7925 -14.3301 -14.3290 -13.9369 -13.9336 -13.1108 -13.1090 -12.1950 -12.1918 -12.1838 -12.1835 -6.1948 -6.1945 -2.3046 -2.2939 -1.8994 -1.8976 -1.6855 -1.6817 -0.2645 -0.2572 0.0563 0.0643 0.0778 0.0869 0.7836 0.8152 1.1401 1.1417 1.1504 1.1628 1.6287 1.6852 2.2807 2.2945 2.9466 2.9807 3.2337 3.2464 3.3546 3.3637 3.6067 3.6094 3.7215 3.7224 4.0811 4.0822 4.2017 4.2425 4.6411 4.6746 4.7582 4.7594 6.8824 6.8927 7.1697 7.1782 8.5563 8.5651 11.6071 11.7670 12.8451 12.9357 13.4132 13.4144 k = 0.3108 0.1794 0.4819 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -17.0656 -17.0652 -15.9876 -15.9815 -15.8159 -15.8154 -15.8005 -15.7935 -14.3564 -14.3554 -13.9395 -13.9363 -13.1052 -13.1035 -12.1985 -12.1955 -12.1861 -12.1859 -6.1571 -6.1568 -2.3166 -2.3067 -1.8889 -1.8881 -1.6609 -1.6573 -0.2755 -0.2686 0.0604 0.0682 0.0815 0.0915 0.7478 0.7804 1.1175 1.1211 1.1412 1.1514 1.6339 1.6858 2.2890 2.3021 2.9530 2.9874 3.2481 3.2605 3.3500 3.3587 3.5958 3.5987 3.7186 3.7200 4.0901 4.0911 4.2107 4.2492 4.6485 4.6799 4.7598 4.7610 6.8579 6.8679 7.1598 7.1681 8.5723 8.5808 11.6281 11.7900 12.8307 12.9281 13.4079 13.4102 k = 0.3243 0.1872 0.4819 ( 6880 PWs) bands (ev): -43.9344 -43.9344 -17.0514 -17.0511 -15.9879 -15.9819 -15.8160 -15.8154 -15.8016 -15.7945 -14.3821 -14.3811 -13.9420 -13.9389 -13.0996 -13.0980 -12.2019 -12.1991 -12.1883 -12.1881 -6.1206 -6.1202 -2.3288 -2.3199 -1.8773 -1.8773 -1.6363 -1.6329 -0.2856 -0.2791 0.0649 0.0721 0.0859 0.0971 0.7043 0.7366 1.0857 1.0925 1.1418 1.1490 1.6471 1.6941 2.2958 2.3083 2.9591 2.9932 3.2637 3.2755 3.3447 3.3528 3.5867 3.5897 3.7152 3.7172 4.0986 4.0997 4.2188 4.2548 4.6564 4.6854 4.7604 4.7616 6.8344 6.8441 7.1503 7.1582 8.5874 8.5954 11.6487 11.8111 12.8168 12.9199 13.4040 13.4073 k = 0.3378 0.1951 0.4819 ( 6884 PWs) bands (ev): -43.9344 -43.9344 -17.0376 -17.0373 -15.9883 -15.9824 -15.8160 -15.8154 -15.8026 -15.7956 -14.4068 -14.4058 -13.9443 -13.9414 -13.0943 -13.0928 -12.2053 -12.2026 -12.1904 -12.1903 -6.0854 -6.0851 -2.3411 -2.3330 -1.8656 -1.8649 -1.6119 -1.6088 -0.2949 -0.2888 0.0695 0.0758 0.0911 0.1038 0.6566 0.6876 1.0464 1.0566 1.1491 1.1547 1.6655 1.7076 2.3012 2.3129 2.9649 2.9981 3.2804 3.2914 3.3389 3.3462 3.5794 3.5823 3.7113 3.7139 4.1069 4.1079 4.2261 4.2593 4.6646 4.6908 4.7603 4.7612 6.8122 6.8214 7.1411 7.1486 8.6013 8.6089 11.6688 11.8302 12.8038 12.9110 13.4013 13.4055 k = 0.3514 0.2029 0.4819 ( 6880 PWs) bands (ev): -43.9344 -43.9344 -17.0243 -17.0240 -15.9886 -15.9828 -15.8161 -15.8154 -15.8036 -15.7967 -14.4303 -14.4294 -13.9465 -13.9437 -13.0892 -13.0878 -12.2086 -12.2060 -12.1924 -12.1922 -6.0519 -6.0516 -2.3530 -2.3459 -1.8532 -1.8519 -1.5881 -1.5852 -0.3034 -0.2976 0.0740 0.0792 0.0974 0.1118 0.6071 0.6365 1.0024 1.0159 1.1604 1.1654 1.6869 1.7246 2.3052 2.3161 2.9703 3.0022 3.2976 3.3077 3.3332 3.3394 3.5735 3.5763 3.7069 3.7103 4.1148 4.1159 4.2327 4.2630 4.6729 4.6962 4.7593 4.7598 6.7914 6.8001 7.1324 7.1394 8.6142 8.6213 11.6884 11.8470 12.7918 12.9013 13.3997 13.4046 k = 0.3649 0.2107 0.4819 ( 6872 PWs) bands (ev): -43.9344 -43.9344 -17.0116 -17.0112 -15.9888 -15.9833 -15.8161 -15.8154 -15.8045 -15.7978 -14.4526 -14.4518 -13.9484 -13.9458 -13.0843 -13.0830 -12.2117 -12.2093 -12.1942 -12.1941 -6.0204 -6.0200 -2.3646 -2.3582 -1.8405 -1.8387 -1.5650 -1.5624 -0.3110 -0.3056 0.0780 0.0821 0.1052 0.1212 0.5579 0.5854 0.9561 0.9722 1.1741 1.1787 1.7095 1.7433 2.3079 2.3180 2.9753 3.0055 3.3125 3.3230 3.3302 3.3338 3.5691 3.5716 3.7022 3.7062 4.1224 4.1236 4.2387 4.2660 4.6812 4.7012 4.7576 4.7577 6.7720 6.7801 7.1241 7.1306 8.6260 8.6326 11.7077 11.8614 12.7811 12.8909 13.3992 13.4046 k = 0.3784 0.2185 0.4819 ( 6874 PWs) bands (ev): -43.9344 -43.9344 -16.9996 -16.9993 -15.9891 -15.9838 -15.8161 -15.8154 -15.8054 -15.7989 -14.4734 -14.4726 -13.9502 -13.9478 -13.0798 -13.0786 -12.2146 -12.2124 -12.1958 -12.1958 -5.9910 -5.9907 -2.3754 -2.3698 -1.8277 -1.8256 -1.5429 -1.5407 -0.3177 -0.3127 0.0814 0.0844 0.1146 0.1319 0.5105 0.5359 0.9089 0.9270 1.1889 1.1932 1.7323 1.7623 2.3096 2.3188 2.9800 3.0080 3.3146 3.3226 3.3404 3.3441 3.5657 3.5680 3.6970 3.7017 4.1297 4.1309 4.2441 4.2684 4.6892 4.7057 4.7547 4.7557 6.7542 6.7616 7.1164 7.1224 8.6366 8.6427 11.7265 11.8733 12.7719 12.8798 13.3995 13.4052 k = 0.3919 0.2263 0.4819 ( 6870 PWs) bands (ev): -43.9344 -43.9344 -16.9884 -16.9881 -15.9893 -15.9844 -15.8162 -15.8153 -15.8061 -15.8000 -14.4924 -14.4917 -13.9518 -13.9497 -13.0756 -13.0745 -12.2172 -12.2153 -12.1973 -12.1973 -5.9640 -5.9637 -2.3854 -2.3805 -1.8152 -1.8129 -1.5222 -1.5202 -0.3235 -0.3189 0.0840 0.0861 0.1256 0.1438 0.4660 0.4891 0.8622 0.8816 1.2039 1.2080 1.7542 1.7808 2.3103 2.3186 2.9842 3.0098 3.3095 3.3158 3.3578 3.3609 3.5632 3.5652 3.6916 3.6967 4.1366 4.1379 4.2490 4.2704 4.6967 4.7095 4.7512 4.7535 6.7380 6.7448 7.1094 7.1148 8.6461 8.6516 11.7449 11.8827 12.7645 12.8682 13.4004 13.4063 k = 0.4054 0.2341 0.4819 ( 6870 PWs) bands (ev): -43.9344 -43.9344 -16.9782 -16.9779 -15.9894 -15.9849 -15.8161 -15.8153 -15.8068 -15.8012 -14.5097 -14.5091 -13.9533 -13.9513 -13.0718 -13.0708 -12.2197 -12.2179 -12.1987 -12.1986 -5.9396 -5.9394 -2.3945 -2.3903 -1.8032 -1.8009 -1.5031 -1.5014 -0.3284 -0.3242 0.0857 0.0872 0.1381 0.1567 0.4252 0.4460 0.8170 0.8371 1.2185 1.2224 1.7748 1.7980 2.3102 2.3176 2.9881 3.0109 3.3038 3.3090 3.3758 3.3778 3.5614 3.5632 3.6860 3.6915 4.1431 4.1444 4.2535 4.2720 4.7035 4.7125 4.7475 4.7513 6.7237 6.7297 7.1030 7.1079 8.6546 8.6594 11.7627 11.8893 12.7589 12.8562 13.4019 13.4076 k = 0.4189 0.2419 0.4819 ( 6866 PWs) bands (ev): -43.9344 -43.9344 -16.9691 -16.9689 -15.9894 -15.9855 -15.8161 -15.8152 -15.8074 -15.8022 -14.5250 -14.5244 -13.9545 -13.9528 -13.0684 -13.0676 -12.2218 -12.2203 -12.1999 -12.1998 -5.9181 -5.9178 -2.4025 -2.3990 -1.7921 -1.7898 -1.4858 -1.4845 -0.3325 -0.3288 0.0867 0.0877 0.1517 0.1703 0.3891 0.4073 0.7743 0.7943 1.2323 1.2357 1.7934 1.8135 2.3097 2.3161 2.9916 3.0115 3.2983 3.3027 3.3933 3.3941 3.5601 3.5617 3.6803 3.6859 4.1492 4.1503 4.2575 4.2731 4.7094 4.7144 4.7439 4.7494 6.7111 6.7164 7.0974 7.1016 8.6619 8.6661 11.7801 11.8934 12.7554 12.8439 13.4037 13.4090 k = 0.4324 0.2497 0.4819 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -16.9612 -16.9610 -15.9894 -15.9860 -15.8161 -15.8152 -15.8078 -15.8033 -14.5381 -14.5376 -13.9555 -13.9541 -13.0654 -13.0648 -12.2237 -12.2224 -12.2009 -12.2008 -5.8995 -5.8993 -2.4094 -2.4065 -1.7820 -1.7799 -1.4707 -1.4696 -0.3358 -0.3325 0.0869 0.0876 0.1661 0.1840 0.3581 0.3735 0.7351 0.7543 1.2446 1.2477 1.8099 1.8267 2.3088 2.3143 2.9948 3.0116 3.2935 3.2970 3.4093 3.4094 3.5593 3.5606 3.6747 3.6803 4.1546 4.1557 4.2611 4.2740 4.7140 4.7154 4.7409 4.7481 6.7004 6.7049 7.0927 7.0962 8.6681 8.6716 11.7968 11.8948 12.7540 12.8315 13.4057 13.4104 k = 0.4459 0.2575 0.4819 ( 6862 PWs) bands (ev): -43.9344 -43.9344 -16.9546 -16.9544 -15.9894 -15.9866 -15.8160 -15.8152 -15.8080 -15.8043 -14.5491 -14.5487 -13.9563 -13.9552 -13.0630 -13.0624 -12.2252 -12.2241 -12.2017 -12.2017 -5.8841 -5.8840 -2.4151 -2.4127 -1.7733 -1.7715 -1.4580 -1.4572 -0.3383 -0.3356 0.0865 0.0870 0.1807 0.1970 0.3329 0.3453 0.7007 0.7182 1.2553 1.2579 1.8240 1.8376 2.3079 2.3123 2.9977 3.0113 3.2894 3.2922 3.4229 3.4237 3.5587 3.5598 3.6696 3.6747 4.1593 4.1603 4.2642 4.2744 4.7155 4.7168 4.7392 4.7471 6.6917 6.6953 7.0888 7.0916 8.6732 8.6761 11.8128 11.8936 12.7546 12.8192 13.4076 13.4116 k = 0.4595 0.2653 0.4819 ( 6866 PWs) bands (ev): -43.9344 -43.9344 -16.9493 -16.9492 -15.9892 -15.9871 -15.8159 -15.8153 -15.8081 -15.8052 -14.5576 -14.5573 -13.9569 -13.9560 -13.0610 -13.0606 -12.2264 -12.2256 -12.2024 -12.2023 -5.8720 -5.8719 -2.4194 -2.4177 -1.7662 -1.7648 -1.4478 -1.4472 -0.3400 -0.3379 0.0857 0.0860 0.1947 0.2085 0.3135 0.3229 0.6724 0.6871 1.2640 1.2660 1.8356 1.8458 2.3071 2.3104 3.0004 3.0106 3.2861 3.2882 3.4346 3.4356 3.5584 3.5592 3.6651 3.6695 4.1632 4.1640 4.2670 4.2745 4.7152 4.7177 4.7391 4.7464 6.6850 6.6877 7.0858 7.0879 8.6773 8.6795 11.8280 11.8900 12.7573 12.8073 13.4094 13.4125 k = 0.4730 0.2731 0.4819 ( 6882 PWs) bands (ev): -43.9344 -43.9344 -16.9455 -16.9454 -15.9891 -15.9876 -15.8159 -15.8154 -15.8080 -15.8060 -14.5638 -14.5636 -13.9573 -13.9567 -13.0596 -13.0593 -12.2272 -12.2266 -12.2028 -12.2028 -5.8633 -5.8632 -2.4225 -2.4214 -1.7609 -1.7599 -1.4405 -1.4401 -0.3411 -0.3397 0.0848 0.0850 0.2069 0.2170 0.3001 0.3063 0.6516 0.6623 1.2705 1.2719 1.8444 1.8512 2.3065 2.3087 3.0027 3.0096 3.2839 3.2853 3.4435 3.4445 3.5582 3.5588 3.6619 3.6651 4.1661 4.1667 4.2693 4.2743 4.7148 4.7171 4.7403 4.7457 6.6803 6.6821 7.0837 7.0851 8.6803 8.6817 11.8420 11.8841 12.7619 12.7960 13.4109 13.4130 k = 0.4865 0.2809 0.4819 ( 6874 PWs) bands (ev): -43.9344 -43.9344 -16.9432 -16.9432 -15.9888 -15.9880 -15.8157 -15.8155 -15.8077 -15.8067 -14.5675 -14.5674 -13.9575 -13.9572 -13.0587 -13.0586 -12.2276 -12.2273 -12.2031 -12.2031 -5.8580 -5.8579 -2.4243 -2.4237 -1.7576 -1.7570 -1.4359 -1.4357 -0.3416 -0.3409 0.0841 0.0842 0.2161 0.2216 0.2928 0.2959 0.6398 0.6454 1.2746 1.2753 1.8504 1.8538 2.3064 2.3075 3.0048 3.0083 3.2826 3.2833 3.4494 3.4500 3.5582 3.5585 3.6601 3.6618 4.1680 4.1683 4.2711 4.2736 4.7148 4.7160 4.7419 4.7448 6.6777 6.6786 7.0826 7.0833 8.6823 8.6830 11.8549 11.8762 12.7683 12.7856 13.4121 13.4132 k = 0.5000 0.2887 0.4819 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.9424 -16.9424 -15.9884 -15.9884 -15.8156 -15.8156 -15.8073 -15.8073 -14.5687 -14.5687 -13.9574 -13.9574 -13.0584 -13.0584 -12.2277 -12.2277 -12.2032 -12.2032 -5.8562 -5.8562 -2.4247 -2.4247 -1.7562 -1.7562 -1.4343 -1.4343 -0.3415 -0.3415 0.0838 0.0838 0.2213 0.2213 0.2914 0.2914 0.6376 0.6376 1.2762 1.2762 1.8535 1.8535 2.3067 2.3067 3.0067 3.0067 3.2825 3.2825 3.4516 3.4516 3.5583 3.5583 3.6601 3.6601 4.1687 4.1687 4.2726 4.2726 4.7152 4.7152 4.7435 4.7435 6.6771 6.6771 7.0825 7.0825 8.6832 8.6832 11.8664 11.8664 12.7763 12.7763 13.4129 13.4129 k = 0.5000 0.2887 0.4819 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.9424 -16.9424 -15.9884 -15.9884 -15.8156 -15.8156 -15.8073 -15.8073 -14.5687 -14.5687 -13.9574 -13.9574 -13.0584 -13.0584 -12.2277 -12.2277 -12.2032 -12.2032 -5.8562 -5.8562 -2.4247 -2.4247 -1.7562 -1.7562 -1.4343 -1.4343 -0.3415 -0.3415 0.0838 0.0838 0.2213 0.2213 0.2914 0.2914 0.6376 0.6376 1.2762 1.2762 1.8535 1.8535 2.3067 2.3067 3.0067 3.0067 3.2825 3.2825 3.4516 3.4516 3.5583 3.5583 3.6601 3.6601 4.1687 4.1687 4.2726 4.2726 4.7152 4.7152 4.7435 4.7435 6.6771 6.6771 7.0825 7.0825 8.6832 8.6832 11.8664 11.8664 12.7763 12.7763 13.4129 13.4129 k = 0.4924 0.3018 0.4819 ( 6874 PWs) bands (ev): -43.9344 -43.9344 -16.9423 -16.9421 -15.9885 -15.9883 -15.8157 -15.8155 -15.8074 -15.8072 -14.5720 -14.5659 -13.9611 -13.9542 -13.0584 -13.0582 -12.2279 -12.2275 -12.2033 -12.2031 -5.8556 -5.8552 -2.4295 -2.4205 -1.7805 -1.7359 -1.4567 -1.4078 -0.3419 -0.3403 0.0821 0.0850 0.2129 0.2190 0.2938 0.3004 0.6352 0.6407 1.2764 1.2772 1.8460 1.8537 2.3034 2.3139 3.0044 3.0067 3.2813 3.2826 3.4469 3.4507 3.5574 3.5614 3.6623 3.6660 4.1676 4.1686 4.2691 4.2744 4.7094 4.7198 4.7368 4.7532 6.6742 6.6769 7.0828 7.0852 8.6829 8.6834 11.8579 11.8740 12.7622 12.7891 13.3930 13.4318 k = 0.4848 0.3149 0.4819 ( 6878 PWs) bands (ev): -43.9344 -43.9344 -16.9418 -16.9413 -15.9887 -15.9882 -15.8157 -15.8155 -15.8075 -15.8072 -14.5759 -14.5637 -13.9653 -13.9515 -13.0582 -13.0578 -12.2283 -12.2275 -12.2033 -12.2030 -5.8534 -5.8527 -2.4348 -2.4169 -1.8071 -1.7218 -1.4726 -1.3788 -0.3413 -0.3380 0.0797 0.0856 0.1986 0.2078 0.3058 0.3160 0.6335 0.6443 1.2778 1.2793 1.8318 1.8465 2.3043 2.3245 3.0000 3.0046 3.2792 3.2816 3.4379 3.4448 3.5592 3.5662 3.6721 3.6786 4.1653 4.1672 4.2639 4.2744 4.7040 4.7192 4.7373 4.7642 6.6686 6.6738 7.0862 7.0907 8.6825 8.6835 11.8487 11.8808 12.7469 12.8004 13.3723 13.4496 k = 0.4773 0.3280 0.4819 ( 6882 PWs) bands (ev): -43.9344 -43.9344 -16.9408 -16.9401 -15.9888 -15.9881 -15.8158 -15.8154 -15.8075 -15.8071 -14.5802 -14.5620 -13.9698 -13.9492 -13.0580 -13.0574 -12.2287 -12.2276 -12.2033 -12.2029 -5.8496 -5.8486 -2.4407 -2.4140 -1.8349 -1.7162 -1.4798 -1.3484 -0.3398 -0.3346 0.0764 0.0856 0.1822 0.1930 0.3222 0.3343 0.6324 0.6484 1.2804 1.2826 1.8116 1.8323 2.3090 2.3379 2.9933 3.0001 3.2761 3.2797 3.4266 3.4358 3.5636 3.5724 3.6880 3.6961 4.1619 4.1646 4.2572 4.2726 4.6993 4.7148 4.7437 4.7760 6.6604 6.6678 7.0923 7.0988 8.6821 8.6835 11.8389 11.8866 12.7307 12.8102 13.3513 13.4660 k = 0.4697 0.3412 0.4819 ( 6874 PWs) bands (ev): -43.9344 -43.9344 -16.9394 -16.9384 -15.9889 -15.9880 -15.8158 -15.8153 -15.8076 -15.8070 -14.5849 -14.5609 -13.9747 -13.9474 -13.0575 -13.0567 -12.2292 -12.2277 -12.2033 -12.2028 -5.8444 -5.8430 -2.4469 -2.4116 -1.8632 -1.7203 -1.4772 -1.3175 -0.3373 -0.3299 0.0722 0.0850 0.1654 0.1776 0.3400 0.3535 0.6319 0.6530 1.2841 1.2870 1.7863 1.8119 2.3169 2.3532 2.9842 2.9933 3.2723 3.2767 3.4150 3.4256 3.5704 3.5802 3.7077 3.7167 4.1573 4.1608 4.2490 4.2691 4.6955 4.7106 4.7518 4.7883 6.6501 6.6594 7.1009 7.1090 8.6816 8.6835 11.8287 11.8916 12.7137 12.8182 13.3302 13.4810 k = 0.4621 0.3543 0.4819 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.9376 -16.9364 -15.9890 -15.9879 -15.8158 -15.8153 -15.8076 -15.8069 -14.5901 -14.5603 -13.9799 -13.9461 -13.0569 -13.0560 -12.2299 -12.2280 -12.2033 -12.2026 -5.8378 -5.8360 -2.4535 -2.4099 -1.8914 -1.7330 -1.4659 -1.2867 -0.3336 -0.3238 0.0668 0.0837 0.1492 0.1630 0.3579 0.3727 0.6321 0.6581 1.2890 1.2924 1.7569 1.7862 2.3273 2.3696 2.9727 2.9839 3.2679 3.2730 3.4043 3.4160 3.5792 3.5896 3.7296 3.7387 4.1516 4.1560 4.2395 4.2640 4.6926 4.7076 4.7606 4.8009 6.6381 6.6490 7.1115 7.1208 8.6811 8.6834 11.8182 11.8957 12.6960 12.8244 13.3094 13.4945 k = 0.4545 0.3674 0.4819 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.9355 -16.9340 -15.9890 -15.9878 -15.8158 -15.8152 -15.8077 -15.8068 -14.5957 -14.5603 -13.9853 -13.9452 -13.0562 -13.0551 -12.2305 -12.2284 -12.2033 -12.2025 -5.8299 -5.8278 -2.4604 -2.4087 -1.9193 -1.7517 -1.4486 -1.2564 -0.3285 -0.3158 0.0600 0.0813 0.1341 0.1497 0.3754 0.3913 0.6329 0.6634 1.2950 1.2988 1.7240 1.7560 2.3395 2.3867 2.9587 2.9720 3.2634 3.2688 3.3954 3.4077 3.5899 3.6006 3.7524 3.7613 4.1450 4.1501 4.2288 4.2574 4.6908 4.7060 4.7695 4.8135 6.6250 6.6371 7.1236 7.1337 8.6805 8.6832 11.8076 11.8989 12.6779 12.8285 13.2893 13.5065 k = 0.4470 0.3805 0.4819 ( 6872 PWs) bands (ev): -43.9344 -43.9344 -16.9330 -16.9313 -15.9891 -15.9877 -15.8159 -15.8151 -15.8077 -15.8067 -14.6015 -14.5608 -13.9908 -13.9447 -13.0554 -13.0541 -12.2312 -12.2288 -12.2033 -12.2025 -5.8208 -5.8184 -2.4674 -2.4080 -1.9466 -1.7741 -1.4278 -1.2272 -0.3220 -0.3059 0.0517 0.0772 0.1209 0.1384 0.3918 0.4089 0.6343 0.6689 1.3021 1.3061 1.6886 1.7225 2.3528 2.4039 2.9424 2.9576 3.2592 3.2647 3.3885 3.4012 3.6022 3.6132 3.7751 3.7837 4.1376 4.1433 4.2173 4.2496 4.6900 4.7057 4.7785 4.8259 6.6110 6.6240 7.1366 7.1473 8.6800 8.6830 11.7971 11.9014 12.6596 12.8306 13.2702 13.5172 k = 0.4394 0.3936 0.4819 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.9302 -16.9282 -15.9892 -15.9876 -15.8159 -15.8150 -15.8078 -15.8067 -14.6077 -14.5619 -13.9964 -13.9446 -13.0545 -13.0530 -12.2320 -12.2292 -12.2033 -12.2024 -5.8108 -5.8080 -2.4745 -2.4078 -1.9728 -1.7984 -1.4053 -1.1994 -0.3138 -0.2938 0.0421 0.0708 0.1105 0.1290 0.4068 0.4251 0.6364 0.6745 1.3101 1.3142 1.6513 1.6865 2.3667 2.4210 2.9240 2.9409 3.2557 3.2610 3.3835 3.3963 3.6161 3.6271 3.7972 3.8053 4.1293 4.1358 4.2052 4.2407 4.6903 4.7066 4.7872 4.8380 6.5966 6.6102 7.1502 7.1611 8.6795 8.6828 11.7869 11.9032 12.6412 12.8304 13.2525 13.5266 k = 0.4318 0.4068 0.4819 ( 6870 PWs) bands (ev): -43.9344 -43.9344 -16.9271 -16.9249 -15.9892 -15.9875 -15.8159 -15.8150 -15.8078 -15.8066 -14.6141 -14.5635 -14.0020 -13.9448 -13.0534 -13.0518 -12.2327 -12.2298 -12.2034 -12.2024 -5.8000 -5.7968 -2.4815 -2.4080 -1.9979 -1.8236 -1.3823 -1.1733 -0.3039 -0.2792 0.0313 0.0617 0.1031 0.1213 0.4201 0.4393 0.6391 0.6801 1.3189 1.3228 1.6130 1.6488 2.3809 2.4375 2.9040 2.9223 3.2530 3.2582 3.3802 3.3931 3.6313 3.6422 3.8180 3.8255 4.1203 4.1276 4.1926 4.2311 4.6917 4.7083 4.7956 4.8496 6.5821 6.5960 7.1640 7.1749 8.6790 8.6826 11.7773 11.9044 12.6230 12.8281 13.2364 13.5348 k = 0.4242 0.4199 0.4819 ( 6874 PWs) bands (ev): -43.9344 -43.9344 -16.9238 -16.9215 -15.9893 -15.9875 -15.8159 -15.8149 -15.8079 -15.8066 -14.6206 -14.5655 -14.0075 -13.9452 -13.0523 -13.0506 -12.2335 -12.2303 -12.2035 -12.2025 -5.7886 -5.7849 -2.4884 -2.4085 -2.0217 -1.8487 -1.3598 -1.1492 -0.2920 -0.2620 0.0199 0.0507 0.0982 0.1152 0.4314 0.4514 0.6423 0.6855 1.3280 1.3317 1.5746 1.6103 2.3950 2.4533 2.8827 2.9022 3.2513 3.2564 3.3784 3.3911 3.6477 3.6584 3.8371 3.8441 4.1107 4.1188 4.1801 4.2211 4.6939 4.7108 4.8035 4.8606 6.5677 6.5818 7.1776 7.1882 8.6786 8.6825 11.7683 11.9050 12.6052 12.8236 13.2221 13.5419 k = 0.4167 0.4330 0.4819 ( 6880 PWs) bands (ev): -43.9344 -43.9344 -16.9204 -16.9179 -15.9894 -15.9875 -15.8159 -15.8149 -15.8079 -15.8066 -14.6272 -14.5679 -14.0128 -13.9458 -13.0512 -13.0493 -12.2342 -12.2309 -12.2036 -12.2026 -5.7768 -5.7727 -2.4949 -2.4094 -2.0439 -1.8733 -1.3382 -1.1273 -0.2782 -0.2422 0.0082 0.0389 0.0945 0.1101 0.4404 0.4610 0.6461 0.6904 1.3368 1.3404 1.5371 1.5719 2.4088 2.4683 2.8608 2.8813 3.2504 3.2558 3.3778 3.3903 3.6650 3.6754 3.8542 3.8605 4.1005 4.1096 4.1679 4.2111 4.6968 4.7140 4.8110 4.8710 6.5537 6.5678 7.1908 7.2009 8.6783 8.6823 11.7603 11.9053 12.5881 12.8171 13.2097 13.5481 k = 0.4091 0.4461 0.4819 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.9169 -16.9142 -15.9894 -15.9874 -15.8158 -15.8148 -15.8080 -15.8065 -14.6338 -14.5707 -14.0178 -13.9466 -13.0500 -13.0480 -12.2350 -12.2314 -12.2038 -12.2027 -5.7648 -5.7603 -2.5011 -2.4104 -2.0644 -1.8970 -1.3179 -1.1076 -0.2624 -0.2197 -0.0034 0.0272 0.0915 0.1058 0.4470 0.4681 0.6502 0.6946 1.3440 1.3486 1.5022 1.5349 2.4222 2.4823 2.8388 2.8600 3.2504 3.2561 3.3781 3.3905 3.6830 3.6931 3.8689 3.8745 4.0898 4.1001 4.1564 4.2015 4.7004 4.7175 4.8178 4.8806 6.5402 6.5543 7.2032 7.2127 8.6780 8.6823 11.7532 11.9051 12.5718 12.8089 13.1992 13.5534 k = 0.4015 0.4593 0.4819 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.9134 -16.9105 -15.9894 -15.9874 -15.8158 -15.8147 -15.8080 -15.8065 -14.6403 -14.5738 -14.0225 -13.9475 -13.0488 -13.0467 -12.2357 -12.2320 -12.2040 -12.2029 -5.7528 -5.7479 -2.5068 -2.4117 -2.0831 -1.9195 -1.2993 -1.0903 -0.2448 -0.1948 -0.0145 0.0160 0.0887 0.1021 0.4512 0.4728 0.6542 0.6976 1.3475 1.3555 1.4723 1.5010 2.4349 2.4952 2.8174 2.8389 3.2511 3.2572 3.3793 3.3915 3.7016 3.7113 3.8808 3.8857 4.0788 4.0905 4.1461 4.1925 4.7043 4.7212 4.8239 4.8894 6.5275 6.5414 7.2147 7.2236 8.6779 8.6823 11.7474 11.9047 12.5565 12.7992 13.1906 13.5580 k = 0.3939 0.4724 0.4819 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.9099 -16.9068 -15.9894 -15.9874 -15.8157 -15.8147 -15.8081 -15.8066 -14.6466 -14.5770 -14.0268 -13.9485 -13.0476 -13.0454 -12.2363 -12.2325 -12.2042 -12.2031 -5.7412 -5.7359 -2.5120 -2.4131 -2.0999 -1.9404 -1.2825 -1.0754 -0.2258 -0.1677 -0.0250 0.0055 0.0858 0.0986 0.4531 0.4752 0.6578 0.6991 1.3446 1.3589 1.4506 1.4728 2.4467 2.5069 2.7970 2.8185 3.2523 3.2589 3.3812 3.3931 3.7206 3.7297 3.8898 3.8939 4.0674 4.0810 4.1373 4.1847 4.7085 4.7250 4.8293 4.8973 6.5157 6.5294 7.2252 7.2332 8.6779 8.6823 11.7427 11.9040 12.5426 12.7884 13.1837 13.5619 k = 0.3864 0.4855 0.4819 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -16.9066 -16.9033 -15.9894 -15.9874 -15.8157 -15.8146 -15.8081 -15.8066 -14.6526 -14.5804 -14.0307 -13.9494 -13.0464 -13.0442 -12.2370 -12.2330 -12.2045 -12.2033 -5.7301 -5.7243 -2.5166 -2.4146 -2.1145 -1.9596 -1.2676 -1.0626 -0.2055 -0.1390 -0.0346 -0.0039 0.0827 0.0952 0.4528 0.4756 0.6605 0.6986 1.3336 1.3554 1.4394 1.4540 2.4577 2.5173 2.7782 2.7993 3.2539 3.2607 3.3835 3.3953 3.7397 3.7481 3.8956 3.8990 4.0560 4.0717 4.1302 4.1782 4.7127 4.7288 4.8340 4.9043 6.5049 6.5184 7.2345 7.2416 8.6780 8.6825 11.7392 11.9031 12.5302 12.7770 13.1783 13.5652 k = 0.3788 0.4986 0.4819 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -16.9034 -16.9000 -15.9894 -15.9875 -15.8156 -15.8145 -15.8081 -15.8067 -14.6581 -14.5837 -14.0341 -13.9504 -13.0453 -13.0430 -12.2376 -12.2335 -12.2047 -12.2036 -5.7197 -5.7136 -2.5206 -2.4161 -2.1271 -1.9768 -1.2547 -1.0520 -0.1847 -0.1094 -0.0431 -0.0122 0.0794 0.0917 0.4506 0.4744 0.6620 0.6960 1.3173 1.3436 1.4369 1.4463 2.4675 2.5262 2.7615 2.7817 3.2555 3.2627 3.3862 3.3979 3.7587 3.7664 3.8982 3.9008 4.0448 4.0627 4.1250 4.1732 4.7168 4.7323 4.8380 4.9103 6.4953 6.5085 7.2425 7.2487 8.6782 8.6827 11.7369 11.9021 12.5195 12.7655 13.1742 13.5679 k = 0.3712 0.5117 0.4819 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -16.9005 -16.8970 -15.9893 -15.9876 -15.8156 -15.8145 -15.8082 -15.8069 -14.6632 -14.5869 -14.0371 -13.9512 -13.0443 -13.0420 -12.2381 -12.2340 -12.2050 -12.2038 -5.7104 -5.7040 -2.5239 -2.4176 -2.1376 -1.9918 -1.2438 -1.0433 -0.1642 -0.0807 -0.0493 -0.0190 0.0757 0.0878 0.4469 0.4721 0.6621 0.6910 1.3000 1.3270 1.4393 1.4461 2.4760 2.5335 2.7474 2.7661 3.2572 3.2645 3.3890 3.4006 3.7774 3.7843 3.8978 3.8996 4.0339 4.0543 4.1216 4.1696 4.7207 4.7354 4.8412 4.9154 6.4870 6.4999 7.2493 7.2545 8.6785 8.6829 11.7356 11.9008 12.5105 12.7543 13.1712 13.5702 k = 0.3636 0.5249 0.4819 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.8979 -16.8943 -15.9893 -15.9877 -15.8156 -15.8144 -15.8082 -15.8070 -14.6675 -14.5898 -14.0394 -13.9520 -13.0435 -13.0411 -12.2385 -12.2344 -12.2052 -12.2040 -5.7023 -5.6956 -2.5267 -2.4190 -2.1460 -2.0042 -1.2349 -1.0364 -0.1449 -0.0639 -0.0435 -0.0238 0.0717 0.0833 0.4424 0.4693 0.6607 0.6841 1.2847 1.3103 1.4439 1.4490 2.4831 2.5391 2.7362 2.7529 3.2587 3.2661 3.3918 3.4034 3.7954 3.8015 3.8947 3.8959 4.0239 4.0466 4.1197 4.1674 4.7241 4.7381 4.8437 4.9195 6.4800 6.4927 7.2548 7.2590 8.6788 8.6832 11.7353 11.8995 12.5034 12.7441 13.1691 13.5720 k = 0.3561 0.5380 0.4819 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.8958 -16.8921 -15.9893 -15.9878 -15.8156 -15.8144 -15.8082 -15.8072 -14.6712 -14.5923 -14.0413 -13.9526 -13.0427 -13.0403 -12.2389 -12.2347 -12.2054 -12.2042 -5.6957 -5.6888 -2.5288 -2.4202 -2.1524 -2.0141 -1.2280 -1.0312 -0.1281 -0.0659 -0.0299 -0.0161 0.0677 0.0778 0.4377 0.4664 0.6583 0.6759 1.2729 1.2962 1.4488 1.4525 2.4886 2.5432 2.7280 2.7424 3.2600 3.2673 3.3943 3.4059 3.8123 3.8175 3.8893 3.8902 4.0150 4.0400 4.1189 4.1662 4.7270 4.7402 4.8455 4.9226 6.4744 6.4870 7.2590 7.2622 8.6791 8.6835 11.7356 11.8983 12.4981 12.7352 13.1677 13.5734 k = 0.3485 0.5511 0.4819 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.8942 -16.8905 -15.9892 -15.9879 -15.8156 -15.8143 -15.8081 -15.8074 -14.6739 -14.5942 -14.0426 -13.9530 -13.0422 -13.0398 -12.2392 -12.2349 -12.2056 -12.2044 -5.6908 -5.6837 -2.5303 -2.4211 -2.1568 -2.0211 -1.2230 -1.0275 -0.1152 -0.0693 -0.0308 0.0073 0.0641 0.0709 0.4337 0.4641 0.6555 0.6675 1.2648 1.2859 1.4529 1.4555 2.4924 2.5458 2.7227 2.7348 3.2609 3.2682 3.3964 3.4080 3.8272 3.8320 3.8824 3.8836 4.0079 4.0348 4.1189 4.1658 4.7293 4.7417 4.8468 4.9248 6.4704 6.4828 7.2621 7.2643 8.6794 8.6837 11.7363 11.8972 12.4945 12.7284 13.1669 13.5743 k = 0.3409 0.5642 0.4819 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.8932 -16.8894 -15.9892 -15.9880 -15.8156 -15.8143 -15.8080 -15.8076 -14.6756 -14.5955 -14.0434 -13.9533 -13.0418 -13.0394 -12.2394 -12.2351 -12.2057 -12.2045 -5.6877 -5.6805 -2.5312 -2.4217 -2.1594 -2.0253 -1.2200 -1.0253 -0.1071 -0.0715 -0.0313 0.0276 0.0602 0.0635 0.4311 0.4627 0.6534 0.6605 1.2604 1.2799 1.4557 1.4573 2.4945 2.5472 2.7200 2.7302 3.2615 3.2688 3.3977 3.4094 3.8385 3.8435 3.8753 3.8774 4.0032 4.0314 4.1191 4.1657 4.7308 4.7425 4.8475 4.9261 6.4680 6.4803 7.2640 7.2653 8.6796 8.6839 11.7369 11.8964 12.4925 12.7239 13.1664 13.5749 k = 0.3333 0.5774 0.4819 ( 6888 PWs) bands (ev): -43.9344 -43.9344 -16.8929 -16.8891 -15.9892 -15.9880 -15.8156 -15.8143 -15.8079 -15.8078 -14.6762 -14.5960 -14.0436 -13.9534 -13.0417 -13.0393 -12.2394 -12.2351 -12.2058 -12.2045 -5.6867 -5.6794 -2.5315 -2.4219 -2.1603 -2.0267 -1.2190 -1.0246 -0.1044 -0.0723 -0.0313 0.0385 0.0544 0.0615 0.4303 0.4623 0.6528 0.6573 1.2590 1.2780 1.4568 1.4578 2.4952 2.5476 2.7192 2.7287 3.2617 3.2689 3.3982 3.4098 3.8430 3.8486 3.8716 3.8747 4.0015 4.0302 4.1192 4.1658 4.7313 4.7428 4.8477 4.9265 6.4671 6.4794 7.2647 7.2654 8.6797 8.6840 11.7372 11.8961 12.4919 12.7223 13.1663 13.5751 k = 0.3333 0.5774 0.4819 ( 6888 PWs) bands (ev): -43.9344 -43.9344 -16.8929 -16.8891 -15.9892 -15.9880 -15.8156 -15.8143 -15.8079 -15.8078 -14.6762 -14.5960 -14.0436 -13.9534 -13.0417 -13.0393 -12.2394 -12.2351 -12.2058 -12.2045 -5.6867 -5.6794 -2.5315 -2.4219 -2.1603 -2.0267 -1.2190 -1.0246 -0.1044 -0.0723 -0.0313 0.0385 0.0544 0.0615 0.4303 0.4623 0.6528 0.6573 1.2590 1.2780 1.4568 1.4578 2.4952 2.5476 2.7192 2.7287 3.2617 3.2689 3.3982 3.4098 3.8430 3.8486 3.8716 3.8747 4.0015 4.0302 4.1192 4.1658 4.7313 4.7428 4.8477 4.9265 6.4671 6.4794 7.2647 7.2654 8.6797 8.6840 11.7372 11.8961 12.4919 12.7223 13.1663 13.5751 k = 0.3256 0.5639 0.4819 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.8933 -16.8895 -15.9892 -15.9880 -15.8156 -15.8143 -15.8080 -15.8076 -14.6755 -14.5955 -14.0434 -13.9533 -13.0418 -13.0394 -12.2394 -12.2351 -12.2057 -12.2045 -5.6878 -5.6806 -2.5311 -2.4217 -2.1594 -2.0253 -1.2201 -1.0254 -0.1073 -0.0714 -0.0312 0.0275 0.0601 0.0634 0.4309 0.4626 0.6541 0.6612 1.2602 1.2797 1.4557 1.4572 2.4946 2.5472 2.7199 2.7300 3.2615 3.2688 3.3977 3.4093 3.8389 3.8439 3.8748 3.8769 4.0034 4.0315 4.1190 4.1657 4.7307 4.7425 4.8475 4.9261 6.4680 6.4803 7.2640 7.2653 8.6796 8.6839 11.7368 11.8965 12.4925 12.7241 13.1664 13.5749 k = 0.3178 0.5505 0.4819 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.8945 -16.8907 -15.9892 -15.9878 -15.8156 -15.8143 -15.8082 -15.8073 -14.6735 -14.5938 -14.0426 -13.9530 -13.0423 -13.0398 -12.2392 -12.2349 -12.2056 -12.2043 -5.6914 -5.6843 -2.5301 -2.4209 -2.1568 -2.0214 -1.2234 -1.0278 -0.1160 -0.0688 -0.0302 0.0072 0.0637 0.0696 0.4317 0.4627 0.6607 0.6726 1.2636 1.2842 1.4528 1.4552 2.4929 2.5462 2.7220 2.7337 3.2609 3.2683 3.3960 3.4075 3.8301 3.8345 3.8797 3.8806 4.0093 4.0354 4.1181 4.1653 4.7289 4.7418 4.8469 4.9248 6.4707 6.4831 7.2624 7.2645 8.6792 8.6836 11.7354 11.8975 12.4942 12.7294 13.1667 13.5744 k = 0.3101 0.5371 0.4819 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.8966 -16.8929 -15.9893 -15.9876 -15.8156 -15.8144 -15.8083 -15.8069 -14.6700 -14.5910 -14.0414 -13.9525 -13.0430 -13.0406 -12.2388 -12.2345 -12.2053 -12.2041 -5.6974 -5.6905 -2.5285 -2.4197 -2.1526 -2.0151 -1.2291 -1.0322 -0.1300 -0.0644 -0.0280 -0.0167 0.0666 0.0745 0.4315 0.4621 0.6744 0.6916 1.2685 1.2904 1.4485 1.4520 2.4903 2.5446 2.7253 2.7389 3.2601 3.2676 3.3931 3.4046 3.8197 3.8238 3.8821 3.8843 4.0185 4.0415 4.1164 4.1647 4.7260 4.7406 4.8460 4.9229 6.4751 6.4876 7.2601 7.2631 8.6785 8.6830 11.7328 11.8991 12.4970 12.7383 13.1670 13.5735 k = 0.3023 0.5236 0.4819 ( 6872 PWs) bands (ev): -43.9344 -43.9344 -16.8996 -16.8960 -15.9895 -15.9874 -15.8156 -15.8145 -15.8084 -15.8064 -14.6649 -14.5868 -14.0397 -13.9517 -13.0440 -13.0417 -12.2382 -12.2340 -12.2050 -12.2038 -5.7060 -5.6993 -2.5260 -2.4179 -2.1468 -2.0070 -1.2373 -1.0386 -0.1483 -0.0594 -0.0454 -0.0205 0.0693 0.0776 0.4296 0.4604 0.6954 0.7182 1.2740 1.2971 1.4435 1.4480 2.4869 2.5423 2.7294 2.7451 3.2590 3.2667 3.3892 3.4005 3.8088 3.8127 3.8828 3.8870 4.0303 4.0490 4.1138 4.1639 4.7219 4.7389 4.8448 4.9202 6.4813 6.4939 7.2573 7.2612 8.6774 8.6820 11.7289 11.9011 12.5008 12.7507 13.1674 13.5722 k = 0.2946 0.5102 0.4819 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -16.9036 -16.9001 -15.9896 -15.9871 -15.8156 -15.8146 -15.8085 -15.8058 -14.6583 -14.5811 -14.0376 -13.9508 -13.0454 -13.0431 -12.2375 -12.2333 -12.2045 -12.2033 -5.7171 -5.7108 -2.5228 -2.4155 -2.1396 -1.9974 -1.2483 -1.0473 -0.1693 -0.0784 -0.0482 -0.0125 0.0714 0.0795 0.4260 0.4579 0.7231 0.7513 1.2794 1.3030 1.4385 1.4440 2.4827 2.5392 2.7342 2.7520 3.2579 3.2658 3.3842 3.3953 3.7979 3.8017 3.8825 3.8884 4.0437 4.0571 4.1103 4.1632 4.7170 4.7368 4.8434 4.9170 6.4894 6.5021 7.2542 7.2590 8.6759 8.6806 11.7240 11.9033 12.5060 12.7662 13.1678 13.5707 k = 0.2868 0.4968 0.4819 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.9086 -16.9052 -15.9897 -15.9868 -15.8157 -15.8147 -15.8084 -15.8052 -14.6500 -14.5740 -14.0351 -13.9496 -13.0472 -13.0448 -12.2365 -12.2323 -12.2039 -12.2027 -5.7309 -5.7250 -2.5186 -2.4124 -2.1311 -1.9867 -1.2620 -1.0588 -0.1917 -0.1089 -0.0386 -0.0020 0.0729 0.0810 0.4216 0.4551 0.7563 0.7895 1.2835 1.3067 1.4344 1.4412 2.4774 2.5351 2.7393 2.7592 3.2569 3.2650 3.3782 3.3893 3.7872 3.7911 3.8816 3.8889 4.0575 4.0647 4.1060 4.1631 4.7113 4.7342 4.8418 4.9131 6.4992 6.5120 7.2508 7.2565 8.6738 8.6788 11.7181 11.9051 12.5126 12.7843 13.1682 13.5690 k = 0.2791 0.4834 0.4819 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.9146 -16.9114 -15.9898 -15.9864 -15.8157 -15.8149 -15.8083 -15.8046 -14.6400 -14.5654 -14.0322 -13.9483 -13.0493 -13.0470 -12.2353 -12.2312 -12.2032 -12.2020 -5.7473 -5.7417 -2.5136 -2.4087 -2.1216 -1.9753 -1.2788 -1.0733 -0.2140 -0.1393 -0.0272 0.0105 0.0738 0.0828 0.4170 0.4528 0.7936 0.8312 1.2851 1.3068 1.4324 1.4410 2.4709 2.5295 2.7445 2.7666 3.2562 3.2646 3.3714 3.3825 3.7769 3.7808 3.8805 3.8889 4.0686 4.0726 4.1017 4.1642 4.7050 4.7311 4.8399 4.9087 6.5108 6.5237 7.2475 7.2539 8.6712 8.6764 11.7114 11.9063 12.5208 12.8045 13.1688 13.5670 k = 0.2713 0.4699 0.4819 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.9216 -16.9185 -15.9898 -15.9860 -15.8157 -15.8150 -15.8081 -15.8038 -14.6283 -14.5552 -14.0291 -13.9468 -13.0518 -13.0495 -12.2340 -12.2298 -12.2024 -12.2011 -5.7662 -5.7611 -2.5076 -2.4041 -2.1114 -1.9636 -1.2987 -1.0911 -0.2354 -0.1680 -0.0148 0.0240 0.0747 0.0854 0.4133 0.4519 0.8339 0.8752 1.2835 1.3024 1.4332 1.4444 2.4629 2.5224 2.7497 2.7739 3.2561 3.2647 3.3640 3.3752 3.7672 3.7710 3.8792 3.8884 4.0722 4.0806 4.1008 4.1670 4.6983 4.7276 4.8377 4.9038 6.5241 6.5371 7.2441 7.2513 8.6679 8.6734 11.7042 11.9065 12.5307 12.8262 13.1695 13.5648 k = 0.2636 0.4565 0.4819 ( 6842 PWs) bands (ev): -43.9344 -43.9344 -16.9296 -16.9266 -15.9898 -15.9856 -15.8157 -15.8151 -15.8078 -15.8030 -14.6150 -14.5434 -14.0256 -13.9451 -13.0546 -13.0523 -12.2324 -12.2282 -12.2014 -12.2002 -5.7875 -5.7829 -2.5006 -2.3988 -2.1006 -1.9520 -1.3216 -1.1123 -0.2549 -0.1942 -0.0021 0.0370 0.0762 0.0896 0.4113 0.4533 0.8758 0.9202 1.2783 1.2939 1.4370 1.4515 2.4534 2.5133 2.7547 2.7809 3.2567 3.2655 3.3561 3.3674 3.7581 3.7619 3.8780 3.8877 4.0715 4.0793 4.1090 4.1718 4.6914 4.7237 4.8353 4.8985 6.5391 6.5522 7.2410 7.2488 8.6639 8.6698 11.6964 11.9054 12.5425 12.8489 13.1705 13.5624 k = 0.2558 0.4431 0.4819 ( 6854 PWs) bands (ev): -43.9344 -43.9344 -16.9385 -16.9357 -15.9898 -15.9852 -15.8158 -15.8152 -15.8074 -15.8022 -14.6000 -14.5300 -14.0219 -13.9432 -13.0578 -13.0555 -12.2305 -12.2264 -12.2003 -12.1990 -5.8113 -5.8072 -2.4926 -2.3925 -2.0896 -1.9408 -1.3475 -1.1371 -0.2722 -0.2173 0.0097 0.0472 0.0796 0.0966 0.4120 0.4578 0.9184 0.9648 1.2701 1.2821 1.4436 1.4616 2.4420 2.5021 2.7596 2.7876 3.2583 3.2673 3.3477 3.3592 3.7496 3.7534 3.8766 3.8866 4.0666 4.0736 4.1211 4.1781 4.6844 4.7196 4.8326 4.8927 6.5558 6.5689 7.2380 7.2464 8.6592 8.6654 11.6883 11.9028 12.5559 12.8718 13.1718 13.5598 k = 0.2481 0.4297 0.4819 ( 6850 PWs) bands (ev): -43.9344 -43.9344 -16.9483 -16.9457 -15.9897 -15.9848 -15.8158 -15.8153 -15.8070 -15.8013 -14.5833 -14.5151 -14.0179 -13.9413 -13.0613 -13.0591 -12.2285 -12.2243 -12.1991 -12.1978 -5.8373 -5.8337 -2.4836 -2.3853 -2.0785 -1.9302 -1.3762 -1.1654 -0.2867 -0.2369 0.0198 0.0526 0.0854 0.1071 0.4166 0.4664 0.9605 1.0078 1.2601 1.2684 1.4525 1.4741 2.4288 2.4888 2.7642 2.7939 3.2611 3.2703 3.3389 3.3507 3.7418 3.7457 3.8752 3.8852 4.0585 4.0669 4.1333 4.1855 4.6774 4.7153 4.8296 4.8865 6.5741 6.5873 7.2354 7.2444 8.6537 8.6603 11.6799 11.8986 12.5711 12.8945 13.1737 13.5571 k = 0.2403 0.4162 0.4819 ( 6856 PWs) bands (ev): -43.9344 -43.9344 -16.9590 -16.9566 -15.9896 -15.9844 -15.8159 -15.8154 -15.8064 -15.8004 -14.5652 -14.4987 -14.0137 -13.9392 -13.0652 -13.0630 -12.2262 -12.2220 -12.1978 -12.1964 -5.8655 -5.8624 -2.4737 -2.3772 -2.0676 -1.9204 -1.4074 -1.1970 -0.2983 -0.2527 0.0274 0.0544 0.0926 0.1197 0.4264 0.4799 1.0005 1.0473 1.2499 1.2544 1.4631 1.4884 2.4138 2.4733 2.7685 2.7996 3.2650 3.2745 3.3298 3.3419 3.7348 3.7386 3.8737 3.8835 4.0485 4.0590 4.1449 4.1932 4.6705 4.7108 4.8262 4.8798 6.5940 6.6071 7.2332 7.2426 8.6473 8.6543 11.6713 11.8926 12.5878 12.9162 13.1765 13.5543 k = 0.2326 0.4028 0.4819 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -16.9704 -16.9682 -15.9895 -15.9839 -15.8159 -15.8155 -15.8058 -15.7995 -14.5455 -14.4809 -14.0094 -13.9370 -13.0694 -13.0672 -12.2237 -12.2195 -12.1964 -12.1949 -5.8958 -5.8931 -2.4629 -2.3681 -2.0571 -1.9117 -1.4407 -1.2316 -0.3069 -0.2647 0.0324 0.0543 0.1001 0.1321 0.4424 0.4991 1.0364 1.0807 1.2406 1.2432 1.4751 1.5045 2.3973 2.4560 2.7726 2.8048 3.2702 3.2800 3.3206 3.3327 3.7285 3.7322 3.8719 3.8815 4.0376 4.0501 4.1554 4.2008 4.6639 4.7063 4.8225 4.8727 6.6154 6.6285 7.2314 7.2413 8.6401 8.6474 11.6624 11.8848 12.6058 12.9366 13.1804 13.5513 k = 0.2248 0.3894 0.4819 ( 6848 PWs) bands (ev): -43.9344 -43.9344 -16.9826 -16.9806 -15.9893 -15.9835 -15.8159 -15.8155 -15.8051 -15.7985 -14.5244 -14.4617 -14.0048 -13.9346 -13.0738 -13.0717 -12.2211 -12.2168 -12.1948 -12.1933 -5.9279 -5.9256 -2.4512 -2.3581 -2.0470 -1.9041 -1.4756 -1.2686 -0.3127 -0.2731 0.0353 0.0532 0.1069 0.1424 0.4656 0.5243 1.0652 1.1047 1.2321 1.2405 1.4882 1.5224 2.3795 2.4371 2.7764 2.8094 3.2765 3.2869 3.3112 3.3233 3.7228 3.7265 3.8700 3.8792 4.0262 4.0404 4.1647 4.2078 4.6575 4.7017 4.8184 4.8652 6.6382 6.6514 7.2301 7.2404 8.6319 8.6396 11.6532 11.8752 12.6250 12.9550 13.1857 13.5483 k = 0.2171 0.3759 0.4819 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.9954 -16.9936 -15.9891 -15.9831 -15.8160 -15.8156 -15.8044 -15.7976 -14.5019 -14.4412 -14.0002 -13.9322 -13.0786 -13.0764 -12.2182 -12.2138 -12.1932 -12.1916 -5.9617 -5.9598 -2.4387 -2.3472 -2.0374 -1.8979 -1.5118 -1.3076 -0.3156 -0.2781 0.0367 0.0517 0.1120 0.1497 0.4958 0.5555 1.0833 1.1164 1.2302 1.2455 1.5029 1.5427 2.3608 2.4170 2.7799 2.8133 3.2829 3.2945 3.3027 3.3138 3.7178 3.7214 3.8678 3.8765 4.0146 4.0301 4.1726 4.2139 4.6514 4.6972 4.8138 4.8573 6.6624 6.6756 7.2293 7.2399 8.6227 8.6308 11.6435 11.8636 12.6452 12.9710 13.1927 13.5452 k = 0.2093 0.3625 0.4819 ( 6872 PWs) bands (ev): -43.9344 -43.9344 -17.0088 -17.0071 -15.9888 -15.9827 -15.8160 -15.8156 -15.8036 -15.7967 -14.4783 -14.4195 -13.9954 -13.9298 -13.0836 -13.0814 -12.2151 -12.2107 -12.1915 -12.1897 -5.9970 -5.9956 -2.4256 -2.3354 -2.0284 -1.8929 -1.5486 -1.3482 -0.3160 -0.2801 0.0371 0.0499 0.1153 0.1540 0.5325 0.5919 1.0894 1.1173 1.2363 1.2559 1.5195 1.5658 2.3417 2.3961 2.7832 2.8167 3.2845 3.2958 3.3041 3.3073 3.7135 3.7169 3.8653 3.8734 4.0028 4.0196 4.1791 4.2191 4.6458 4.6927 4.8087 4.8490 6.6879 6.7010 7.2290 7.2398 8.6126 8.6210 11.6333 11.8503 12.6660 12.9843 13.2017 13.5420 k = 0.2016 0.3491 0.4819 ( 6880 PWs) bands (ev): -43.9344 -43.9344 -17.0226 -17.0211 -15.9886 -15.9823 -15.8160 -15.8156 -15.8028 -15.7957 -14.4536 -14.3968 -13.9905 -13.9273 -13.0888 -13.0867 -12.2119 -12.2075 -12.1896 -12.1878 -6.0338 -6.0326 -2.4119 -2.3230 -2.0199 -1.8893 -1.5855 -1.3896 -0.3139 -0.2792 0.0368 0.0481 0.1166 0.1555 0.5745 0.6324 1.0867 1.1119 1.2467 1.2663 1.5390 1.5922 2.3225 2.3751 2.7863 2.8195 3.2766 3.2898 3.3082 3.3163 3.7096 3.7129 3.8626 3.8701 3.9913 4.0091 4.1841 4.2230 4.6404 4.6884 4.8032 4.8403 6.7146 6.7278 7.2292 7.2403 8.6014 8.6102 11.6225 11.8350 12.6874 12.9948 13.2128 13.5390 k = 0.1938 0.3357 0.4819 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -17.0368 -17.0355 -15.9882 -15.9819 -15.8159 -15.8155 -15.8019 -15.7948 -14.4280 -14.3732 -13.9856 -13.9247 -13.0942 -13.0921 -12.2086 -12.2041 -12.1877 -12.1857 -6.0717 -6.0708 -2.3979 -2.3100 -2.0118 -1.8870 -1.6221 -1.4315 -0.3096 -0.2758 0.0361 0.0461 0.1162 0.1549 0.6199 0.6753 1.0803 1.1050 1.2562 1.2729 1.5620 1.6221 2.3038 2.3543 2.7892 2.8220 3.2662 3.2795 3.3176 3.3275 3.7063 3.7094 3.8596 3.8665 3.9800 3.9987 4.1876 4.2256 4.6355 4.6841 4.7973 4.8312 6.7425 6.7556 7.2299 7.2412 8.5893 8.5983 11.6110 11.8180 12.7092 13.0026 13.2259 13.5360 k = 0.1860 0.3222 0.4819 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -17.0513 -17.0501 -15.9878 -15.9815 -15.8159 -15.8154 -15.8009 -15.7938 -14.4015 -14.3488 -13.9805 -13.9221 -13.0998 -13.0976 -12.2051 -12.2006 -12.1857 -12.1836 -6.1106 -6.1098 -2.3837 -2.2967 -2.0041 -1.8860 -1.6577 -1.4734 -0.3032 -0.2701 0.0350 0.0442 0.1144 0.1528 0.6665 0.7181 1.0742 1.1005 1.2611 1.2737 1.5888 1.6551 2.2857 2.3340 2.7921 2.8242 3.2553 3.2684 3.3284 3.3395 3.7035 3.7065 3.8564 3.8627 3.9693 3.9888 4.1894 4.2268 4.6311 4.6801 4.7909 4.8218 6.7713 6.7845 7.2312 7.2426 8.5761 8.5854 11.5986 11.7992 12.7312 13.0081 13.2410 13.5333 k = 0.1783 0.3088 0.4819 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -17.0660 -17.0649 -15.9875 -15.9811 -15.8158 -15.8154 -15.8000 -15.7929 -14.3744 -14.3238 -13.9754 -13.9195 -13.1055 -13.1033 -12.2015 -12.1969 -12.1836 -12.1813 -6.1502 -6.1496 -2.3696 -2.2832 -1.9966 -1.8861 -1.6920 -1.5150 -0.2951 -0.2625 0.0337 0.0424 0.1116 0.1495 0.7113 0.7576 1.0722 1.1016 1.2601 1.2681 1.6191 1.6907 2.2686 2.3146 2.7952 2.8262 3.2441 3.2569 3.3395 3.3517 3.7011 3.7039 3.8530 3.8586 3.9592 3.9793 4.1895 4.2265 4.6270 4.6762 4.7841 4.8121 6.8011 6.8142 7.2330 7.2445 8.5619 8.5714 11.5853 11.7786 12.7531 13.0116 13.2577 13.5309 k = 0.1705 0.2954 0.4819 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -17.0807 -17.0798 -15.9871 -15.9808 -15.8157 -15.8153 -15.7990 -15.7920 -14.3468 -14.2983 -13.9703 -13.9169 -13.1112 -13.1090 -12.1979 -12.1933 -12.1814 -12.1790 -6.1905 -6.1899 -2.3557 -2.2699 -1.9892 -1.8872 -1.7243 -1.5557 -0.2853 -0.2531 0.0322 0.0406 0.1080 0.1455 0.7503 0.7900 1.0784 1.1113 1.2539 1.2564 1.6524 1.7281 2.2525 2.2961 2.7984 2.8283 3.2329 3.2454 3.3504 3.3638 3.6993 3.7020 3.8492 3.8545 3.9500 3.9706 4.1879 4.2245 4.6234 4.6724 4.7770 4.8023 6.8316 6.8447 7.2353 7.2469 8.5467 8.5564 11.5709 11.7563 12.7750 13.0135 13.2759 13.5290 k = 0.1628 0.2820 0.4819 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -17.0955 -17.0947 -15.9866 -15.9805 -15.8156 -15.8152 -15.7980 -15.7911 -14.3188 -14.2725 -13.9651 -13.9143 -13.1170 -13.1148 -12.1942 -12.1895 -12.1792 -12.1767 -6.2311 -6.2305 -2.3423 -2.2572 -1.9817 -1.8891 -1.7543 -1.5953 -0.2741 -0.2423 0.0305 0.0389 0.1040 0.1412 0.7794 0.8120 1.0963 1.1299 1.2392 1.2454 1.6879 1.7667 2.2373 2.2787 2.8022 2.8307 3.2218 3.2340 3.3609 3.3754 3.6980 3.7006 3.8452 3.8502 3.9416 3.9628 4.1844 4.2207 4.6203 4.6689 4.7695 4.7923 6.8628 6.8758 7.2380 7.2497 8.5305 8.5404 11.5555 11.7325 12.7966 13.0143 13.2953 13.5278 k = 0.1550 0.2685 0.4819 ( 6844 PWs) bands (ev): -43.9344 -43.9344 -17.1102 -17.1094 -15.9862 -15.9802 -15.8155 -15.8151 -15.7970 -15.7903 -14.2907 -14.2466 -13.9598 -13.9117 -13.1228 -13.1207 -12.1906 -12.1858 -12.1770 -12.1742 -6.2719 -6.2713 -2.3298 -2.2455 -1.9741 -1.8915 -1.7814 -1.6336 -0.2616 -0.2302 0.0288 0.0374 0.0996 0.1366 0.7964 0.8227 1.1267 1.1489 1.2186 1.2442 1.7246 1.8058 2.2231 2.2622 2.8065 2.8335 3.2111 3.2227 3.3703 3.3861 3.6974 3.6998 3.8408 3.8459 3.9344 3.9558 4.1790 4.2151 4.6178 4.6656 4.7618 4.7822 6.8944 6.9074 7.2412 7.2529 8.5134 8.5235 11.5389 11.7072 12.8178 13.0144 13.3157 13.5273 k = 0.1473 0.2551 0.4819 ( 6840 PWs) bands (ev): -43.9344 -43.9344 -17.1246 -17.1240 -15.9857 -15.9799 -15.8154 -15.8151 -15.7960 -15.7895 -14.2626 -14.2207 -13.9546 -13.9091 -13.1286 -13.1265 -12.1869 -12.1821 -12.1747 -12.1718 -6.3125 -6.3119 -2.3183 -2.2354 -1.9663 -1.8938 -1.8052 -1.6701 -0.2480 -0.2171 0.0270 0.0360 0.0952 0.1320 0.8024 0.8239 1.1472 1.1591 1.2064 1.2679 1.7619 1.8449 2.2096 2.2466 2.8115 2.8370 3.2009 3.2120 3.3784 3.3952 3.6975 3.6998 3.8361 3.8414 3.9284 3.9500 4.1718 4.2075 4.6158 4.6626 4.7540 4.7721 6.9264 6.9392 7.2449 7.2565 8.4955 8.5057 11.5212 11.6805 12.8385 13.0141 13.3371 13.5278 k = 0.1395 0.2417 0.4819 ( 6840 PWs) bands (ev): -43.9344 -43.9344 -17.1389 -17.1383 -15.9853 -15.9797 -15.8152 -15.8150 -15.7951 -15.7887 -14.2346 -14.1951 -13.9492 -13.9065 -13.1344 -13.1322 -12.1832 -12.1784 -12.1724 -12.1693 -6.3529 -6.3522 -2.3081 -2.2274 -1.9585 -1.8954 -1.8255 -1.7047 -0.2335 -0.2031 0.0252 0.0349 0.0908 0.1275 0.8003 0.8185 1.1278 1.1460 1.2431 1.3152 1.7993 1.8836 2.1967 2.2318 2.8173 2.8411 3.1914 3.2019 3.3847 3.4026 3.6983 3.7005 3.8313 3.8370 3.9238 3.9452 4.1626 4.1978 4.6144 4.6598 4.7460 4.7622 6.9584 6.9712 7.2489 7.2605 8.4768 8.4870 11.5025 11.6527 12.8587 13.0136 13.3593 13.5293 k = 0.1318 0.2283 0.4819 ( 6844 PWs) bands (ev): -43.9344 -43.9344 -17.1528 -17.1523 -15.9849 -15.9795 -15.8151 -15.8149 -15.7941 -15.7880 -14.2070 -14.1699 -13.9438 -13.9038 -13.1400 -13.1379 -12.1796 -12.1747 -12.1700 -12.1668 -6.3926 -6.3920 -2.2994 -2.2221 -1.9514 -1.8952 -1.8421 -1.7370 -0.2182 -0.1885 0.0235 0.0340 0.0866 0.1232 0.7929 0.8089 1.0983 1.1144 1.3019 1.3735 1.8363 1.9216 2.1841 2.2177 2.8239 2.8459 3.1831 3.1928 3.3890 3.4078 3.6995 3.7016 3.8265 3.8328 3.9204 3.9416 4.1515 4.1861 4.6136 4.6573 4.7380 4.7524 6.9905 7.0030 7.2533 7.2648 8.4575 8.4677 11.4828 11.6239 12.8783 13.0132 13.3821 13.5320 k = 0.1240 0.2148 0.4819 ( 6842 PWs) bands (ev): -43.9344 -43.9344 -17.1663 -17.1659 -15.9845 -15.9793 -15.8150 -15.8148 -15.7932 -15.7874 -14.1799 -14.1454 -13.9383 -13.9012 -13.1455 -13.1434 -12.1761 -12.1711 -12.1677 -12.1643 -6.4317 -6.4311 -2.2923 -2.2197 -1.9459 -1.8923 -1.8550 -1.7663 -0.2025 -0.1736 0.0219 0.0335 0.0827 0.1191 0.7824 0.7968 1.0639 1.0783 1.3662 1.4365 1.8726 1.9586 2.1719 2.2044 2.8313 2.8513 3.1760 3.1849 3.3912 3.4106 3.7007 3.7027 3.8225 3.8291 3.9184 3.9391 4.1385 4.1723 4.6135 4.6552 4.7300 4.7429 7.0222 7.0345 7.2581 7.2694 8.4377 8.4478 11.4624 11.5943 12.8971 13.0131 13.4053 13.5358 k = 0.1163 0.2014 0.4819 ( 6846 PWs) bands (ev): -43.9344 -43.9344 -17.1793 -17.1790 -15.9840 -15.9791 -15.8149 -15.8147 -15.7923 -15.7868 -14.1536 -14.1217 -13.9326 -13.8985 -13.1508 -13.1488 -12.1727 -12.1677 -12.1654 -12.1618 -6.4697 -6.4692 -2.2868 -2.2203 -1.9431 -1.8860 -1.8648 -1.7916 -0.1864 -0.1587 0.0205 0.0334 0.0793 0.1155 0.7701 0.7833 1.0266 1.0400 1.4324 1.5014 1.9079 1.9946 2.1603 2.1921 2.8392 2.8572 3.1706 3.1786 3.3912 3.4112 3.7011 3.7029 3.8197 3.8267 3.9175 3.9375 4.1238 4.1566 4.6140 4.6534 4.7222 4.7337 7.0536 7.0655 7.2632 7.2744 8.4175 8.4275 11.4414 11.5642 12.9151 13.0134 13.4288 13.5409 k = 0.1085 0.1880 0.4819 ( 6846 PWs) bands (ev): -43.9344 -43.9344 -17.1918 -17.1915 -15.9836 -15.9789 -15.8148 -15.8146 -15.7915 -15.7863 -14.1283 -14.0991 -13.9268 -13.8958 -13.1560 -13.1540 -12.1694 -12.1644 -12.1631 -12.1594 -6.5065 -6.5061 -2.2830 -2.2237 -1.9435 -1.8789 -1.8707 -1.8106 -0.1704 -0.1440 0.0195 0.0339 0.0763 0.1122 0.7568 0.7691 0.9877 1.0003 1.4984 1.5659 1.9417 2.0292 2.1495 2.1811 2.8474 2.8634 3.1671 3.1741 3.3893 3.4095 3.6994 3.7012 3.8192 3.8264 3.9177 3.9369 4.1076 4.1392 4.6150 4.6519 4.7146 4.7248 7.0842 7.0958 7.2685 7.2795 8.3971 8.4069 11.4201 11.5339 12.9323 13.0142 13.4523 13.5471 k = 0.1008 0.1745 0.4819 ( 6828 PWs) bands (ev): -43.9344 -43.9344 -17.2037 -17.2034 -15.9832 -15.9788 -15.8146 -15.8145 -15.7906 -15.7857 -14.1040 -14.0778 -13.9208 -13.8930 -13.1609 -13.1590 -12.1662 -12.1613 -12.1607 -12.1570 -6.5419 -6.5415 -2.2807 -2.2293 -1.9468 -1.8866 -1.8613 -1.8203 -0.1547 -0.1299 0.0190 0.0350 0.0740 0.1094 0.7430 0.7546 0.9482 0.9602 1.5627 1.6286 1.9739 2.0624 2.1402 2.1720 2.8557 2.8696 3.1659 3.1718 3.3858 3.4060 3.6949 3.6966 3.8216 3.8287 3.9187 3.9370 4.0900 4.1201 4.6166 4.6506 4.7072 4.7164 7.1140 7.1251 7.2741 7.2849 8.3768 8.3863 11.3986 11.5036 12.9487 13.0156 13.4757 13.5545 k = 0.0930 0.1611 0.4819 ( 6828 PWs) bands (ev): -43.9344 -43.9344 -17.2149 -17.2147 -15.9828 -15.9787 -15.8145 -15.8144 -15.7898 -15.7853 -14.0812 -14.0580 -13.9145 -13.8901 -13.1655 -13.1637 -12.1632 -12.1589 -12.1579 -12.1547 -6.5757 -6.5754 -2.2798 -2.2365 -1.9520 -1.9011 -1.8470 -1.8201 -0.1395 -0.1168 0.0191 0.0367 0.0724 0.1070 0.7292 0.7402 0.9086 0.9202 1.6238 1.6878 2.0038 2.0940 2.1335 2.1657 2.8637 2.8755 3.1671 3.1720 3.3810 3.4009 3.6868 3.6884 3.8269 3.8337 3.9204 3.9377 4.0714 4.0998 4.6186 4.6497 4.7001 4.7085 7.1426 7.1533 7.2798 7.2903 8.3566 8.3658 11.3774 11.4736 12.9640 13.0177 13.4987 13.5628 k = 0.0853 0.1477 0.4819 ( 6832 PWs) bands (ev): -43.9344 -43.9344 -17.2254 -17.2252 -15.9824 -15.9786 -15.8144 -15.8143 -15.7891 -15.7849 -14.0599 -14.0398 -13.9079 -13.8870 -13.1699 -13.1682 -12.1604 -12.1567 -12.1551 -12.1525 -6.6077 -6.6074 -2.2802 -2.2448 -1.9585 -1.9177 -1.8313 -1.8130 -0.1254 -0.1049 0.0201 0.0392 0.0717 0.1050 0.7155 0.7260 0.8697 0.8809 1.6802 1.7416 2.0309 2.1233 2.1311 2.1633 2.8712 2.8809 3.1709 3.1751 3.3753 3.3947 3.6752 3.6766 3.8346 3.8410 3.9225 3.9388 4.0523 4.0786 4.6210 4.6489 4.6933 4.7010 7.1699 7.1800 7.2857 7.2959 8.3368 8.3457 11.3566 11.4443 12.9782 13.0202 13.5209 13.5720 k = 0.0775 0.1343 0.4819 ( 6832 PWs) bands (ev): -43.9344 -43.9344 -17.2352 -17.2350 -15.9820 -15.9786 -15.8143 -15.8143 -15.7884 -15.7845 -14.0403 -14.0236 -13.9011 -13.8837 -13.1740 -13.1724 -12.1578 -12.1547 -12.1525 -12.1505 -6.6376 -6.6373 -2.2815 -2.2534 -1.9655 -1.9342 -1.8151 -1.8020 -0.1127 -0.0946 0.0222 0.0421 0.0722 0.1036 0.7022 0.7122 0.8321 0.8428 1.7300 1.7880 2.0549 2.1326 2.1518 2.1665 2.8779 2.8857 3.1774 3.1811 3.3691 3.3878 3.6602 3.6617 3.8440 3.8500 3.9250 3.9402 4.0330 4.0570 4.6236 4.6483 4.6869 4.6942 7.1957 7.2050 7.2916 7.3014 8.3177 8.3261 11.3366 11.4158 12.9914 13.0234 13.5423 13.5818 k = 0.0698 0.1208 0.4819 ( 6830 PWs) bands (ev): -43.9344 -43.9344 -17.2441 -17.2440 -15.9817 -15.9785 -15.8142 -15.8142 -15.7877 -15.7842 -14.0227 -14.0092 -13.8940 -13.8801 -13.1777 -13.1762 -12.1554 -12.1528 -12.1500 -12.1485 -6.6653 -6.6651 -2.2836 -2.2619 -1.9727 -1.9496 -1.7988 -1.7890 -0.1016 -0.0860 0.0255 0.0452 0.0741 0.1026 0.6893 0.6990 0.7964 0.8065 1.7718 1.8251 2.0767 2.1407 2.1728 2.1808 2.8837 2.8898 3.1865 3.1903 3.3629 3.3806 3.6422 3.6440 3.8540 3.8596 3.9276 3.9418 4.0143 4.0356 4.6265 4.6477 4.6809 4.6879 7.2198 7.2283 7.2975 7.3069 8.2995 8.3073 11.3177 11.3886 13.0033 13.0269 13.5624 13.5921 k = 0.0620 0.1074 0.4819 ( 6820 PWs) bands (ev): -43.9344 -43.9344 -17.2523 -17.2521 -15.9813 -15.9785 -15.8141 -15.8141 -15.7871 -15.7840 -14.0072 -13.9969 -13.8868 -13.8762 -13.1811 -13.1797 -12.1532 -12.1511 -12.1478 -12.1467 -6.6906 -6.6904 -2.2862 -2.2701 -1.9799 -1.9634 -1.7829 -1.7752 -0.0924 -0.0792 0.0299 0.0482 0.0775 0.1020 0.6772 0.6863 0.7631 0.7726 1.8044 1.8515 2.0987 2.1533 2.1891 2.2038 2.8886 2.8933 3.1982 3.2023 3.3570 3.3734 3.6216 3.6238 3.8638 3.8692 3.9304 3.9435 3.9968 4.0149 4.6295 4.6472 4.6754 4.6824 7.2418 7.2494 7.3033 7.3122 8.2824 8.2897 11.3002 11.3630 13.0140 13.0308 13.5812 13.6025 k = 0.0543 0.0940 0.4819 ( 6824 PWs) bands (ev): -43.9344 -43.9344 -17.2595 -17.2594 -15.9810 -15.9785 -15.8140 -15.8140 -15.7865 -15.7838 -13.9939 -13.9864 -13.8797 -13.8721 -13.1841 -13.1829 -12.1512 -12.1495 -12.1458 -12.1451 -6.7134 -6.7132 -2.2893 -2.2775 -1.9866 -1.9756 -1.7677 -1.7615 -0.0850 -0.0741 0.0352 0.0507 0.0823 0.1019 0.6659 0.6744 0.7328 0.7413 1.8279 1.8678 2.1227 2.1690 2.2087 2.2257 2.8925 2.8963 3.2126 3.2170 3.3516 3.3665 3.5988 3.6013 3.8724 3.8778 3.9331 3.9452 3.9813 3.9959 4.6325 4.6466 4.6703 4.6775 7.2617 7.2683 7.3089 7.3173 8.2668 8.2733 11.2844 11.3391 13.0234 13.0349 13.5982 13.6129 k = 0.0465 0.0806 0.4819 ( 6820 PWs) bands (ev): -43.9344 -43.9344 -17.2658 -17.2657 -15.9807 -15.9785 -15.8140 -15.8140 -15.7860 -15.7836 -13.9829 -13.9778 -13.8729 -13.8679 -13.1868 -13.1857 -12.1495 -12.1481 -12.1441 -12.1436 -6.7334 -6.7333 -2.2924 -2.2841 -1.9929 -1.9859 -1.7536 -1.7485 -0.0793 -0.0704 0.0411 0.0529 0.0878 0.1023 0.6554 0.6634 0.7059 0.7133 1.8436 1.8758 2.1482 2.1860 2.2303 2.2454 2.8957 2.8990 3.2293 3.2339 3.3470 3.3602 3.5740 3.5769 3.8786 3.8846 3.9358 3.9468 3.9688 3.9795 4.6353 4.6459 4.6659 4.6733 7.2793 7.2847 7.3142 7.3220 8.2527 8.2585 11.2706 11.3173 13.0314 13.0391 13.6134 13.6228 k = 0.0388 0.0671 0.4819 ( 6814 PWs) bands (ev): -43.9344 -43.9344 -17.2712 -17.2711 -15.9803 -15.9786 -15.8139 -15.8139 -15.7855 -15.7835 -13.9741 -13.9707 -13.8666 -13.8636 -13.1890 -13.1881 -12.1480 -12.1468 -12.1426 -12.1423 -6.7506 -6.7505 -2.2955 -2.2897 -1.9986 -1.9945 -1.7410 -1.7368 -0.0751 -0.0679 0.0469 0.0548 0.0935 0.1030 0.6461 0.6533 0.6830 0.6889 1.8532 1.8784 2.1736 2.2028 2.2517 2.2629 2.8983 2.9013 3.2482 3.2528 3.3434 3.3546 3.5479 3.5510 3.8818 3.8886 3.9385 3.9481 3.9599 3.9671 4.6379 4.6451 4.6622 4.6698 7.2944 7.2984 7.3193 7.3264 8.2405 8.2454 11.2590 11.2979 13.0381 13.0432 13.6264 13.6320 k = 0.0310 0.0537 0.4819 ( 6826 PWs) bands (ev): -43.9344 -43.9344 -17.2757 -17.2756 -15.9801 -15.9787 -15.8139 -15.8139 -15.7851 -15.7835 -13.9672 -13.9652 -13.8611 -13.8596 -13.1908 -13.1901 -12.1468 -12.1458 -12.1414 -12.1413 -6.7648 -6.7648 -2.2984 -2.2943 -2.0035 -2.0014 -1.7301 -1.7268 -0.0719 -0.0664 0.0520 0.0566 0.0988 0.1042 0.6378 0.6441 0.6644 0.6687 1.8588 1.8778 2.1966 2.2180 2.2711 2.2781 2.9005 2.9032 3.2688 3.2732 3.3407 3.3498 3.5210 3.5241 3.8818 3.8891 3.9412 3.9486 3.9551 3.9596 4.6401 4.6443 4.6593 4.6668 7.3066 7.3093 7.3240 7.3304 8.2303 8.2343 11.2499 11.2809 13.0433 13.0470 13.6373 13.6401 k = 0.0233 0.0403 0.4819 ( 6830 PWs) bands (ev): -43.9344 -43.9344 -17.2791 -17.2791 -15.9799 -15.9788 -15.8138 -15.8138 -15.7847 -15.7836 -13.9623 -13.9610 -13.8567 -13.8560 -13.1922 -13.1917 -12.1458 -12.1451 -12.1405 -12.1404 -6.7760 -6.7759 -2.3007 -2.2979 -2.0075 -2.0066 -1.7213 -1.7188 -0.0696 -0.0656 0.0561 0.0582 0.1031 0.1056 0.6307 0.6359 0.6506 0.6530 1.8620 1.8755 2.2157 2.2305 2.2873 2.2906 2.9024 2.9047 3.2905 3.2944 3.3391 3.3459 3.4943 3.4973 3.8798 3.8866 3.9436 3.9476 3.9542 3.9564 4.6417 4.6436 4.6575 4.6643 7.3159 7.3172 7.3286 7.3340 8.2223 8.2254 11.2435 11.2667 13.0474 13.0501 13.6457 13.6469 k = 0.0155 0.0269 0.4819 ( 6826 PWs) bands (ev): -43.9344 -43.9344 -17.2816 -17.2816 -15.9796 -15.9789 -15.8138 -15.8138 -15.7844 -15.7836 -13.9589 -13.9581 -13.8535 -13.8533 -13.1932 -13.1928 -12.1450 -12.1446 -12.1398 -12.1398 -6.7840 -6.7840 -2.3024 -2.3006 -2.0105 -2.0102 -1.7146 -1.7130 -0.0680 -0.0653 0.0590 0.0596 0.1061 0.1071 0.6250 0.6288 0.6415 0.6423 1.8641 1.8728 2.2301 2.2394 2.2993 2.3003 2.9040 2.9056 3.3118 3.3150 3.3385 3.3429 3.4694 3.4719 3.8776 3.8827 3.9454 3.9469 3.9550 3.9556 4.6425 4.6431 4.6570 4.6622 7.3219 7.3223 7.3329 7.3367 8.2166 8.2187 11.2399 11.2554 13.0505 13.0523 13.6517 13.6521 k = 0.0078 0.0134 0.4819 ( 6816 PWs) bands (ev): -43.9344 -43.9344 -17.2831 -17.2831 -15.9794 -15.9790 -15.8137 -15.8137 -15.7841 -15.7837 -13.9568 -13.9564 -13.8515 -13.8515 -13.1938 -13.1936 -12.1445 -12.1443 -12.1394 -12.1394 -6.7888 -6.7888 -2.3033 -2.3024 -2.0123 -2.0123 -1.7104 -1.7096 -0.0668 -0.0655 0.0606 0.0607 0.1079 0.1083 0.6214 0.6234 0.6364 0.6366 1.8659 1.8701 2.2396 2.2441 2.3065 2.3066 2.9051 2.9060 3.3290 3.3313 3.3396 3.3411 3.4498 3.4514 3.8763 3.8790 3.9465 3.9469 3.9557 3.9558 4.6428 4.6429 4.6575 4.6603 7.3251 7.3252 7.3364 7.3383 8.2134 8.2145 11.2392 11.2470 13.0525 13.0535 13.6553 13.6554 k = 0.0000 0.0000 0.4819 ( 6818 PWs) bands (ev): -43.9344 -43.9344 -17.2836 -17.2836 -15.9792 -15.9792 -15.8137 -15.8137 -15.7840 -15.7840 -13.9560 -13.9560 -13.8508 -13.8508 -13.1939 -13.1939 -12.1443 -12.1443 -12.1393 -12.1393 -6.7905 -6.7905 -2.3033 -2.3033 -2.0130 -2.0130 -1.7087 -1.7087 -0.0660 -0.0660 0.0610 0.0610 0.1086 0.1086 0.6208 0.6208 0.6348 0.6348 1.8678 1.8678 2.2442 2.2442 2.3088 2.3088 2.9058 2.9058 3.3356 3.3356 3.3421 3.3421 3.4423 3.4423 3.8767 3.8767 3.9468 3.9468 3.9560 3.9560 4.6428 4.6428 4.6587 4.6587 7.3261 7.3261 7.3383 7.3383 8.2127 8.2127 11.2416 11.2416 13.0535 13.0535 13.6565 13.6565 k = 0.5000 0.2887 0.4819 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.9424 -16.9424 -15.9884 -15.9884 -15.8156 -15.8156 -15.8073 -15.8073 -14.5687 -14.5687 -13.9574 -13.9574 -13.0584 -13.0584 -12.2277 -12.2277 -12.2032 -12.2032 -5.8562 -5.8562 -2.4247 -2.4247 -1.7562 -1.7562 -1.4343 -1.4343 -0.3415 -0.3415 0.0838 0.0838 0.2213 0.2213 0.2914 0.2914 0.6376 0.6376 1.2762 1.2762 1.8535 1.8535 2.3067 2.3067 3.0067 3.0067 3.2825 3.2825 3.4516 3.4516 3.5583 3.5583 3.6601 3.6601 4.1687 4.1687 4.2726 4.2726 4.7152 4.7152 4.7435 4.7435 6.6771 6.6771 7.0825 7.0825 8.6832 8.6832 11.8664 11.8664 12.7763 12.7763 13.4129 13.4129 k = 0.5000 0.2887 0.4664 ( 6886 PWs) bands (ev): -43.9344 -43.9344 -16.9425 -16.9424 -15.9889 -15.9879 -15.8161 -15.8151 -15.8076 -15.8070 -14.5689 -14.5687 -13.9575 -13.9574 -13.0583 -13.0582 -12.2276 -12.2275 -12.2032 -12.2031 -5.8563 -5.8563 -2.4253 -2.4239 -1.7578 -1.7551 -1.4355 -1.4331 -0.3416 -0.3414 0.0819 0.0839 0.2206 0.2231 0.2912 0.2916 0.6375 0.6380 1.2756 1.2760 1.8533 1.8539 2.3064 2.3068 3.0063 3.0064 3.2823 3.2829 3.4510 3.4525 3.5570 3.5592 3.6598 3.6613 4.1682 4.1690 4.2721 4.2729 4.7141 4.7168 4.7422 4.7449 6.6774 6.6776 7.0823 7.0825 8.6830 8.6831 11.8638 11.8692 12.7709 12.7822 13.4024 13.4191 k = 0.5000 0.2887 0.4508 ( 6888 PWs) bands (ev): -43.9344 -43.9344 -16.9427 -16.9426 -15.9894 -15.9874 -15.8166 -15.8147 -15.8078 -15.8066 -14.5693 -14.5689 -13.9575 -13.9574 -13.0580 -13.0580 -12.2272 -12.2271 -12.2032 -12.2031 -5.8565 -5.8564 -2.4256 -2.4229 -1.7598 -1.7544 -1.4364 -1.4316 -0.3416 -0.3412 0.0784 0.0822 0.2210 0.2260 0.2910 0.2918 0.6375 0.6385 1.2743 1.2751 1.8535 1.8546 2.3061 2.3068 3.0053 3.0056 3.2823 3.2836 3.4506 3.4537 3.5554 3.5597 3.6603 3.6632 4.1676 4.1692 4.2713 4.2729 4.7134 4.7190 4.7409 4.7463 6.6785 6.6789 7.0822 7.0826 8.6828 8.6829 11.8616 11.8723 12.7659 12.7886 13.3877 13.4211 k = 0.5000 0.2887 0.4353 ( 6878 PWs) bands (ev): -43.9344 -43.9344 -16.9431 -16.9429 -15.9898 -15.9868 -15.8170 -15.8143 -15.8079 -15.8061 -14.5698 -14.5692 -13.9575 -13.9574 -13.0576 -13.0575 -12.2267 -12.2264 -12.2032 -12.2030 -5.8569 -5.8568 -2.4257 -2.4217 -1.7620 -1.7540 -1.4372 -1.4301 -0.3415 -0.3408 0.0733 0.0788 0.2225 0.2296 0.2909 0.2920 0.6377 0.6392 1.2722 1.2734 1.8539 1.8556 2.3056 2.3066 3.0038 3.0042 3.2827 3.2845 3.4506 3.4551 3.5535 3.5598 3.6616 3.6659 4.1668 4.1692 4.2703 4.2727 4.7131 4.7216 4.7397 4.7480 6.6804 6.6809 7.0819 7.0825 8.6824 8.6826 11.8596 11.8756 12.7615 12.7957 13.3693 13.4191 k = 0.5000 0.2887 0.4197 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.9435 -16.9433 -15.9902 -15.9862 -15.8174 -15.8139 -15.8080 -15.8056 -14.5705 -14.5697 -13.9575 -13.9573 -13.0570 -13.0568 -12.2259 -12.2256 -12.2031 -12.2028 -5.8573 -5.8572 -2.4256 -2.4203 -1.7647 -1.7542 -1.4378 -1.4285 -0.3413 -0.3404 0.0670 0.0737 0.2250 0.2339 0.2908 0.2923 0.6380 0.6400 1.2694 1.2709 1.8545 1.8568 2.3050 2.3063 3.0017 3.0023 3.2833 3.2856 3.4508 3.4566 3.5515 3.5596 3.6637 3.6692 4.1660 4.1692 4.2691 4.2722 4.7130 4.7245 4.7387 4.7499 6.6830 6.6837 7.0817 7.0825 8.6819 8.6821 11.8580 11.8791 12.7575 12.8032 13.3474 13.4133 k = 0.5000 0.2887 0.4042 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.9441 -16.9438 -15.9905 -15.9856 -15.8177 -15.8136 -15.8080 -15.8050 -14.5713 -14.5704 -13.9575 -13.9573 -13.0562 -13.0560 -12.2248 -12.2244 -12.2031 -12.2027 -5.8580 -5.8578 -2.4253 -2.4187 -1.7676 -1.7547 -1.4381 -1.4267 -0.3410 -0.3399 0.0597 0.0672 0.2281 0.2386 0.2907 0.2927 0.6386 0.6410 1.2659 1.2678 1.8554 1.8581 2.3043 2.3059 2.9992 3.0000 3.2841 3.2869 3.4512 3.4581 3.5496 3.5591 3.6665 3.6730 4.1651 4.1691 4.2677 4.2715 4.7129 4.7270 4.7385 4.7522 6.6864 6.6873 7.0813 7.0823 8.6812 8.6815 11.8567 11.8828 12.7539 12.8114 13.3226 13.4042 k = 0.5000 0.2887 0.3887 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -16.9447 -16.9444 -15.9908 -15.9851 -15.8180 -15.8134 -15.8080 -15.8044 -14.5723 -14.5712 -13.9575 -13.9572 -13.0552 -13.0551 -12.2236 -12.2231 -12.2030 -12.2025 -5.8587 -5.8585 -2.4248 -2.4170 -1.7709 -1.7557 -1.4382 -1.4249 -0.3406 -0.3394 0.0514 0.0596 0.2318 0.2435 0.2908 0.2931 0.6393 0.6422 1.2618 1.2640 1.8564 1.8596 2.3034 2.3054 2.9964 2.9974 3.2849 3.2882 3.4517 3.4594 3.5480 3.5586 3.6698 3.6772 4.1643 4.1689 4.2660 4.2706 4.7126 4.7279 4.7402 4.7551 6.6905 6.6915 7.0809 7.0821 8.6805 8.6808 11.8557 11.8866 12.7506 12.8200 13.2954 13.3924 k = 0.5000 0.2887 0.3731 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -16.9455 -16.9451 -15.9910 -15.9845 -15.8183 -15.8132 -15.8080 -15.8037 -14.5735 -14.5722 -13.9574 -13.9572 -13.0541 -13.0539 -12.2222 -12.2216 -12.2029 -12.2023 -5.8595 -5.8594 -2.4241 -2.4151 -1.7743 -1.7571 -1.4381 -1.4231 -0.3402 -0.3388 0.0424 0.0509 0.2358 0.2484 0.2909 0.2937 0.6401 0.6434 1.2571 1.2596 1.8576 1.8612 2.3025 2.3047 2.9934 2.9945 3.2859 3.2896 3.4523 3.4607 3.5466 3.5582 3.6735 3.6816 4.1637 4.1689 4.2641 4.2694 4.7120 4.7269 4.7442 4.7585 6.6952 6.6964 7.0804 7.0819 8.6796 8.6800 11.8550 11.8905 12.7476 12.8293 13.2663 13.3783 k = 0.5000 0.2887 0.3576 ( 6870 PWs) bands (ev): -43.9344 -43.9344 -16.9464 -16.9459 -15.9912 -15.9840 -15.8185 -15.8130 -15.8079 -15.8030 -14.5747 -14.5733 -13.9574 -13.9571 -13.0529 -13.0527 -12.2206 -12.2199 -12.2027 -12.2020 -5.8605 -5.8603 -2.4232 -2.4131 -1.7780 -1.7589 -1.4378 -1.4212 -0.3396 -0.3381 0.0328 0.0415 0.2399 0.2533 0.2912 0.2944 0.6412 0.6449 1.2519 1.2547 1.8589 1.8629 2.3015 2.3040 2.9902 2.9915 3.2867 3.2907 3.4530 3.4617 3.5458 3.5579 3.6775 3.6863 4.1632 4.1691 4.2620 4.2681 4.7109 4.7247 4.7496 4.7626 6.7006 6.7019 7.0799 7.0815 8.6787 8.6790 11.8546 11.8945 12.7448 12.8390 13.2357 13.3627 k = 0.5000 0.2887 0.3420 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.9473 -16.9468 -15.9913 -15.9834 -15.8186 -15.8128 -15.8078 -15.8023 -14.5761 -14.5746 -13.9574 -13.9570 -13.0515 -13.0513 -12.2188 -12.2180 -12.2026 -12.2017 -5.8615 -5.8613 -2.4220 -2.4110 -1.7819 -1.7612 -1.4372 -1.4193 -0.3390 -0.3374 0.0228 0.0315 0.2439 0.2579 0.2917 0.2953 0.6423 0.6464 1.2463 1.2493 1.8603 1.8647 2.3004 2.3031 2.9871 2.9885 3.2873 3.2916 3.4538 3.4626 3.5454 3.5578 3.6817 3.6910 4.1631 4.1696 4.2598 4.2666 4.7093 4.7217 4.7558 4.7673 6.7066 6.7080 7.0793 7.0811 8.6777 8.6781 11.8546 11.8984 12.7423 12.8492 13.2043 13.3459 k = 0.5000 0.2887 0.3265 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.9483 -16.9478 -15.9913 -15.9829 -15.8186 -15.8127 -15.8078 -15.8015 -14.5775 -14.5759 -13.9573 -13.9570 -13.0501 -13.0498 -12.2170 -12.2160 -12.2024 -12.2014 -5.8627 -5.8624 -2.4207 -2.4088 -1.7859 -1.7638 -1.4364 -1.4174 -0.3383 -0.3366 0.0124 0.0210 0.2478 0.2621 0.2926 0.2964 0.6436 0.6480 1.2402 1.2435 1.8618 1.8664 2.2992 2.3022 2.9841 2.9856 3.2875 3.2920 3.4548 3.4635 3.5456 3.5580 3.6859 3.6957 4.1634 4.1704 4.2574 4.2649 4.7070 4.7182 4.7626 4.7727 6.7130 6.7145 7.0786 7.0806 8.6766 8.6771 11.8548 11.9023 12.7398 12.8599 13.1725 13.3285 k = 0.5000 0.2887 0.3109 ( 6854 PWs) bands (ev): -43.9344 -43.9344 -16.9494 -16.9488 -15.9913 -15.9825 -15.8185 -15.8125 -15.8077 -15.8008 -14.5791 -14.5774 -13.9573 -13.9569 -13.0485 -13.0482 -12.2151 -12.2138 -12.2022 -12.2009 -5.8639 -5.8636 -2.4193 -2.4065 -1.7900 -1.7667 -1.4353 -1.4155 -0.3375 -0.3357 0.0018 0.0101 0.2515 0.2657 0.2938 0.2977 0.6451 0.6498 1.2339 1.2373 1.8632 1.8680 2.2979 2.3011 2.9813 2.9829 3.2871 3.2916 3.4562 3.4646 3.5463 3.5585 3.6900 3.7001 4.1641 4.1718 4.2549 4.2631 4.7040 4.7141 4.7698 4.7785 6.7200 6.7215 7.0779 7.0800 8.6755 8.6760 11.8553 11.9061 12.7374 12.8708 13.1407 13.3110 k = 0.5000 0.2887 0.2954 ( 6860 PWs) bands (ev): -43.9344 -43.9344 -16.9505 -16.9499 -15.9912 -15.9820 -15.8184 -15.8124 -15.8076 -15.8002 -14.5807 -14.5789 -13.9572 -13.9569 -13.0468 -13.0465 -12.2131 -12.2116 -12.2020 -12.2004 -5.8651 -5.8649 -2.4176 -2.4042 -1.7942 -1.7700 -1.4340 -1.4136 -0.3367 -0.3349 -0.0090 -0.0010 0.2548 0.2687 0.2956 0.2994 0.6466 0.6516 1.2274 1.2309 1.8646 1.8696 2.2966 2.3000 2.9790 2.9806 3.2859 3.2904 3.4580 3.4661 3.5475 3.5592 3.6938 3.7043 4.1655 4.1737 4.2523 4.2614 4.7003 4.7094 4.7773 4.7849 6.7272 6.7289 7.0770 7.0793 8.6744 8.6749 11.8561 11.9097 12.7350 12.8818 13.1095 13.2938 k = 0.5000 0.2887 0.2798 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -16.9517 -16.9511 -15.9911 -15.9817 -15.8183 -15.8122 -15.8076 -15.7995 -14.5823 -14.5805 -13.9572 -13.9568 -13.0451 -13.0448 -12.2111 -12.2092 -12.2018 -12.1998 -5.8664 -5.8662 -2.4159 -2.4018 -1.7985 -1.7735 -1.4325 -1.4117 -0.3359 -0.3340 -0.0198 -0.0122 0.2577 0.2709 0.2978 0.3012 0.6483 0.6534 1.2207 1.2243 1.8660 1.8710 2.2953 2.2988 2.9771 2.9788 3.2837 3.2882 3.4604 3.4681 3.5489 3.5602 3.6973 3.7081 4.1673 4.1762 4.2498 4.2596 4.6960 4.7042 4.7849 4.7915 6.7348 6.7365 7.0761 7.0785 8.6733 8.6738 11.8571 11.9131 12.7326 12.8925 13.0795 13.2772 k = 0.5000 0.2887 0.2643 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.9528 -16.9523 -15.9909 -15.9813 -15.8180 -15.8120 -15.8076 -15.7990 -14.5840 -14.5821 -13.9571 -13.9567 -13.0433 -13.0430 -12.2093 -12.2069 -12.2016 -12.1991 -5.8678 -5.8675 -2.4140 -2.3995 -1.8027 -1.7773 -1.4309 -1.4099 -0.3350 -0.3331 -0.0306 -0.0235 0.2602 0.2726 0.3004 0.3034 0.6501 0.6554 1.2139 1.2176 1.8673 1.8723 2.2939 2.2976 2.9757 2.9775 3.2804 3.2849 3.4635 3.4709 3.5507 3.5615 3.7003 3.7113 4.1698 4.1794 4.2473 4.2581 4.6909 4.6984 4.7928 4.7984 6.7427 6.7443 7.0751 7.0776 8.6722 8.6728 11.8584 11.9162 12.7300 12.9024 13.0515 13.2615 k = 0.5000 0.2887 0.2487 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.9540 -16.9534 -15.9907 -15.9810 -15.8177 -15.8118 -15.8076 -15.7984 -14.5857 -14.5838 -13.9571 -13.9567 -13.0415 -13.0412 -12.2076 -12.2045 -12.2013 -12.1981 -5.8691 -5.8689 -2.4120 -2.3972 -1.8068 -1.7812 -1.4290 -1.4081 -0.3340 -0.3322 -0.0413 -0.0346 0.2623 0.2737 0.3032 0.3057 0.6519 0.6573 1.2071 1.2108 1.8684 1.8735 2.2926 2.2963 2.9751 2.9769 3.2759 3.2803 3.4675 3.4745 3.5526 3.5629 3.7027 3.7139 4.1729 4.1832 4.2451 4.2568 4.6852 4.6921 4.8006 4.8055 6.7507 6.7523 7.0741 7.0767 8.6712 8.6718 11.8599 11.9190 12.7273 12.9100 13.0271 13.2470 k = 0.5000 0.2887 0.2332 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.9552 -16.9546 -15.9904 -15.9808 -15.8174 -15.8115 -15.8076 -15.7980 -14.5874 -14.5855 -13.9570 -13.9566 -13.0397 -13.0394 -12.2061 -12.2026 -12.2006 -12.1969 -5.8705 -5.8702 -2.4099 -2.3949 -1.8109 -1.7853 -1.4270 -1.4064 -0.3331 -0.3313 -0.0518 -0.0456 0.2641 0.2744 0.3061 0.3082 0.6538 0.6592 1.2004 1.2041 1.8694 1.8745 2.2912 2.2950 2.9751 2.9769 3.2701 3.2745 3.4724 3.4791 3.5546 3.5644 3.7043 3.7158 4.1765 4.1876 4.2432 4.2559 4.6787 4.6851 4.8084 4.8126 6.7587 6.7604 7.0730 7.0757 8.6701 8.6707 11.8616 11.9215 12.7244 12.9128 13.0091 13.2338 k = 0.5000 0.2887 0.2176 ( 6866 PWs) bands (ev): -43.9344 -43.9344 -16.9564 -16.9558 -15.9901 -15.9806 -15.8170 -15.8112 -15.8076 -15.7976 -14.5891 -14.5872 -13.9569 -13.9566 -13.0379 -13.0376 -12.2049 -12.2017 -12.1988 -12.1954 -5.8718 -5.8716 -2.4078 -2.3928 -1.8148 -1.7896 -1.4249 -1.4048 -0.3322 -0.3305 -0.0620 -0.0562 0.2655 0.2748 0.3089 0.3108 0.6557 0.6611 1.1938 1.1975 1.8703 1.8753 2.2899 2.2937 2.9759 2.9776 3.2633 3.2676 3.4781 3.4845 3.5566 3.5660 3.7052 3.7169 4.1803 4.1923 4.2421 4.2558 4.6716 4.6776 4.8161 4.8196 6.7668 6.7684 7.0718 7.0746 8.6692 8.6698 11.8635 11.9235 12.7213 12.9073 13.0008 13.2220 k = 0.5000 0.2887 0.2021 ( 6866 PWs) bands (ev): -43.9344 -43.9344 -16.9576 -16.9570 -15.9898 -15.9805 -15.8166 -15.8108 -15.8076 -15.7973 -14.5907 -14.5889 -13.9569 -13.9565 -13.0361 -13.0358 -12.2040 -12.2013 -12.1966 -12.1938 -5.8732 -5.8729 -2.4056 -2.3907 -1.8185 -1.7939 -1.4228 -1.4033 -0.3313 -0.3297 -0.0719 -0.0665 0.2667 0.2751 0.3115 0.3135 0.6576 0.6630 1.1874 1.1910 1.8711 1.8759 2.2886 2.2924 2.9774 2.9791 3.2553 3.2597 3.4845 3.4908 3.5586 3.5677 3.7053 3.7172 4.1843 4.1968 4.2421 4.2566 4.6639 4.6695 4.8236 4.8266 6.7747 6.7763 7.0706 7.0734 8.6683 8.6689 11.8657 11.9252 12.7181 12.8936 13.0025 13.2118 k = 0.5000 0.2887 0.1866 ( 6866 PWs) bands (ev): -43.9344 -43.9344 -16.9587 -16.9582 -15.9894 -15.9804 -15.8162 -15.8104 -15.8077 -15.7971 -14.5923 -14.5905 -13.9568 -13.9565 -13.0344 -13.0341 -12.2033 -12.2010 -12.1943 -12.1920 -5.8745 -5.8742 -2.4034 -2.3888 -1.8220 -1.7982 -1.4205 -1.4019 -0.3305 -0.3289 -0.0812 -0.0764 0.2678 0.2752 0.3141 0.3160 0.6595 0.6648 1.1813 1.1848 1.8718 1.8764 2.2873 2.2911 2.9798 2.9814 3.2465 3.2508 3.4917 3.4978 3.5606 3.5694 3.7046 3.7166 4.1880 4.2007 4.2439 4.2586 4.6556 4.6608 4.8308 4.8333 6.7825 6.7840 7.0694 7.0723 8.6674 8.6680 11.8680 11.9263 12.7149 12.8752 13.0105 13.2031 k = 0.5000 0.2887 0.1710 ( 6874 PWs) bands (ev): -43.9344 -43.9344 -16.9598 -16.9593 -15.9889 -15.9804 -15.8158 -15.8100 -15.8077 -15.7969 -14.5938 -14.5921 -13.9568 -13.9564 -13.0327 -13.0325 -12.2027 -12.2008 -12.1921 -12.1901 -5.8757 -5.8755 -2.4012 -2.3871 -1.8253 -1.8025 -1.4182 -1.4006 -0.3297 -0.3283 -0.0901 -0.0857 0.2686 0.2752 0.3164 0.3184 0.6614 0.6665 1.1755 1.1788 1.8723 1.8767 2.2861 2.2898 2.9830 2.9845 3.2369 3.2412 3.4994 3.5053 3.5624 3.5711 3.7031 3.7152 4.1911 4.2032 4.2478 4.2621 4.6468 4.6517 4.8377 4.8398 6.7900 6.7915 7.0682 7.0710 8.6667 8.6673 11.8705 11.9270 12.7116 12.8554 13.0217 13.1958 k = 0.5000 0.2887 0.1555 ( 6872 PWs) bands (ev): -43.9344 -43.9344 -16.9608 -16.9603 -15.9885 -15.9804 -15.8153 -15.8096 -15.8076 -15.7969 -14.5952 -14.5936 -13.9567 -13.9564 -13.0311 -13.0309 -12.2022 -12.2007 -12.1899 -12.1883 -5.8769 -5.8767 -2.3989 -2.3855 -1.8282 -1.8067 -1.4159 -1.3995 -0.3290 -0.3277 -0.0984 -0.0944 0.2693 0.2752 0.3186 0.3206 0.6632 0.6681 1.1701 1.1732 1.8728 1.8768 2.2850 2.2885 2.9869 2.9883 3.2266 3.2309 3.5077 3.5132 3.5640 3.5728 3.7007 3.7129 4.1936 4.2043 4.2541 4.2672 4.6376 4.6422 4.8441 4.8459 6.7971 6.7986 7.0671 7.0698 8.6660 8.6666 11.8731 11.9272 12.7085 12.8356 13.0345 13.1898 k = 0.5000 0.2887 0.1399 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.9618 -16.9613 -15.9880 -15.9805 -15.8149 -15.8094 -15.8074 -15.7969 -14.5965 -14.5950 -13.9566 -13.9563 -13.0297 -13.0294 -12.2018 -12.2005 -12.1879 -12.1865 -5.8780 -5.8778 -2.3968 -2.3841 -1.8308 -1.8108 -1.4137 -1.3985 -0.3284 -0.3272 -0.1060 -0.1025 0.2700 0.2751 0.3205 0.3226 0.6650 0.6696 1.1651 1.1680 1.8731 1.8769 2.2840 2.2873 2.9916 2.9928 3.2160 3.2202 3.5163 3.5214 3.5655 3.5745 3.6977 3.7098 4.1952 4.2043 4.2623 4.2737 4.6280 4.6323 4.8502 4.8516 6.8039 6.8053 7.0660 7.0686 8.6654 8.6659 11.8760 11.9269 12.7056 12.8166 13.0480 13.1849 k = 0.5000 0.2887 0.1244 ( 6868 PWs) bands (ev): -43.9344 -43.9344 -16.9627 -16.9622 -15.9875 -15.9806 -15.8145 -15.8093 -15.8070 -15.7971 -14.5977 -14.5963 -13.9566 -13.9563 -13.0283 -13.0280 -12.2015 -12.2004 -12.1860 -12.1848 -5.8790 -5.8788 -2.3946 -2.3829 -1.8331 -1.8147 -1.4114 -1.3977 -0.3278 -0.3268 -0.1129 -0.1098 0.2705 0.2750 0.3223 0.3243 0.6667 0.6709 1.1605 1.1632 1.8734 1.8768 2.2831 2.2862 2.9969 2.9980 3.2051 3.2091 3.5250 3.5296 3.5669 3.5762 3.6940 3.7060 4.1961 4.2036 4.2717 4.2815 4.6183 4.6223 4.8557 4.8569 6.8102 6.8115 7.0649 7.0674 8.6649 8.6654 11.8790 11.9261 12.7031 12.7989 13.0618 13.1810 k = 0.5000 0.2887 0.1088 ( 6880 PWs) bands (ev): -43.9344 -43.9344 -16.9635 -16.9631 -15.9870 -15.9808 -15.8141 -15.8094 -15.8064 -15.7973 -14.5988 -14.5975 -13.9565 -13.9563 -13.0270 -13.0268 -12.2012 -12.2003 -12.1843 -12.1833 -5.8799 -5.8798 -2.3926 -2.3820 -1.8350 -1.8185 -1.4093 -1.3970 -0.3274 -0.3265 -0.1190 -0.1164 0.2710 0.2748 0.3239 0.3257 0.6683 0.6721 1.1564 1.1588 1.8736 1.8767 2.2823 2.2851 3.0027 3.0037 3.1942 3.1980 3.5338 3.5377 3.5680 3.5780 3.6898 3.7015 4.1965 4.2025 4.2819 4.2902 4.6085 4.6122 4.8607 4.8616 6.8159 6.8171 7.0639 7.0662 8.6644 8.6649 11.8821 11.9248 12.7010 12.7826 13.0754 13.1778 k = 0.5000 0.2887 0.0933 ( 6884 PWs) bands (ev): -43.9344 -43.9344 -16.9642 -16.9638 -15.9864 -15.9811 -15.8137 -15.8095 -15.8057 -15.7976 -14.5997 -14.5986 -13.9565 -13.9563 -13.0259 -13.0257 -12.2009 -12.2002 -12.1828 -12.1820 -5.8808 -5.8806 -2.3907 -2.3813 -1.8365 -1.8220 -1.4072 -1.3966 -0.3270 -0.3263 -0.1244 -0.1222 0.2715 0.2747 0.3252 0.3269 0.6698 0.6731 1.1528 1.1549 1.8737 1.8764 2.2817 2.2841 3.0089 3.0099 3.1834 3.1870 3.5423 3.5456 3.5689 3.5799 3.6853 3.6966 4.1965 4.2012 4.2923 4.2992 4.5989 4.6023 4.8651 4.8658 6.8210 6.8221 7.0631 7.0652 8.6640 8.6644 11.8853 11.9231 12.6996 12.7678 13.0887 13.1750 k = 0.5000 0.2887 0.0777 ( 6880 PWs) bands (ev): -43.9344 -43.9344 -16.9648 -16.9645 -15.9859 -15.9813 -15.8133 -15.8098 -15.8049 -15.7980 -14.6005 -14.5996 -13.9564 -13.9563 -13.0249 -13.0248 -12.2007 -12.2001 -12.1814 -12.1808 -5.8815 -5.8813 -2.3888 -2.3808 -1.8376 -1.8252 -1.4053 -1.3963 -0.3267 -0.3261 -0.1289 -0.1271 0.2719 0.2746 0.3264 0.3279 0.6711 0.6739 1.1498 1.1516 1.8739 1.8762 2.2811 2.2832 3.0153 3.0162 3.1732 3.1764 3.5499 3.5535 3.5696 3.5820 3.6807 3.6914 4.1963 4.1999 4.3025 4.3082 4.5899 4.5929 4.8689 4.8694 6.8255 6.8264 7.0624 7.0642 8.6637 8.6641 11.8887 11.9210 12.6989 12.7545 13.1015 13.1723 k = 0.5000 0.2887 0.0622 ( 6880 PWs) bands (ev): -43.9344 -43.9344 -16.9652 -16.9650 -15.9853 -15.9816 -15.8129 -15.8100 -15.8041 -15.7985 -14.6012 -14.6004 -13.9564 -13.9562 -13.0241 -13.0240 -12.2005 -12.2001 -12.1803 -12.1798 -5.8821 -5.8820 -2.3871 -2.3806 -1.8382 -1.8282 -1.4035 -1.3963 -0.3265 -0.3260 -0.1326 -0.1312 0.2723 0.2744 0.3274 0.3287 0.6722 0.6745 1.1473 1.1488 1.8740 1.8759 2.2807 2.2825 3.0217 3.0225 3.1637 3.1665 3.5560 3.5614 3.5700 3.5840 3.6763 3.6860 4.1960 4.1987 4.3119 4.3164 4.5817 4.5843 4.8720 4.8724 6.8292 6.8300 7.0618 7.0633 8.6635 8.6638 11.8921 11.9185 12.6991 12.7427 13.1134 13.1694 k = 0.5000 0.2887 0.0466 ( 6882 PWs) bands (ev): -43.9344 -43.9344 -16.9656 -16.9655 -15.9848 -15.9820 -15.8125 -15.8103 -15.8033 -15.7990 -14.6016 -14.6011 -13.9564 -13.9562 -13.0235 -13.0234 -12.2004 -12.2000 -12.1794 -12.1790 -5.8825 -5.8824 -2.3856 -2.3806 -1.8384 -1.8308 -1.4019 -1.3964 -0.3264 -0.3260 -0.1355 -0.1344 0.2726 0.2742 0.3282 0.3292 0.6732 0.6750 1.1455 1.1466 1.8742 1.8756 2.2805 2.2818 3.0275 3.0283 3.1555 3.1577 3.5608 3.5688 3.5703 3.5859 3.6726 3.6807 4.1958 4.1977 4.3201 4.3236 4.5748 4.5768 4.8745 4.8748 6.8322 6.8328 7.0614 7.0625 8.6633 8.6635 11.8956 11.9158 12.7002 12.7325 13.1244 13.1660 k = 0.5000 0.2887 0.0311 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -16.9659 -16.9658 -15.9842 -15.9824 -15.8120 -15.8106 -15.8025 -15.7996 -14.6020 -14.6016 -13.9563 -13.9562 -13.0230 -13.0229 -12.2002 -12.2000 -12.1788 -12.1785 -5.8828 -5.8828 -2.3842 -2.3809 -1.8382 -1.8331 -1.4005 -1.3968 -0.3262 -0.3260 -0.1374 -0.1367 0.2729 0.2740 0.3288 0.3295 0.6740 0.6752 1.1442 1.1449 1.8744 1.8753 2.2804 2.2812 3.0325 3.0330 3.1490 3.1507 3.5643 3.5699 3.5757 3.5871 3.6700 3.6760 4.1956 4.1969 4.3267 4.3290 4.5696 4.5710 4.8763 4.8765 6.8344 6.8348 7.0611 7.0619 8.6632 8.6633 11.8991 11.9127 12.7025 12.7238 13.1343 13.1618 k = 0.5000 0.2887 0.0155 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -16.9660 -16.9660 -15.9837 -15.9828 -15.8117 -15.8109 -15.8017 -15.8002 -14.6021 -14.6019 -13.9563 -13.9563 -13.0227 -13.0227 -12.2001 -12.2000 -12.1783 -12.1782 -5.8830 -5.8830 -2.3831 -2.3814 -1.8375 -1.8350 -1.3993 -1.3974 -0.3261 -0.3260 -0.1386 -0.1382 0.2732 0.2738 0.3293 0.3296 0.6746 0.6752 1.1435 1.1438 1.8746 1.8750 2.2804 2.2808 3.0359 3.0362 3.1450 3.1459 3.5667 3.5694 3.5812 3.5869 3.6689 3.6722 4.1956 4.1963 4.3310 4.3322 4.5664 4.5671 4.8774 4.8775 6.8357 6.8360 7.0611 7.0615 8.6631 8.6632 11.9027 11.9095 12.7059 12.7164 13.1430 13.1567 k = 0.5000 0.2887-0.0000 ( 6862 PWs) bands (ev): -43.9344 -43.9344 -16.9661 -16.9661 -15.9833 -15.9833 -15.8113 -15.8113 -15.8009 -15.8009 -14.6021 -14.6021 -13.9563 -13.9563 -13.0226 -13.0226 -12.2001 -12.2001 -12.1781 -12.1781 -5.8831 -5.8831 -2.3821 -2.3821 -1.8365 -1.8365 -1.3982 -1.3982 -0.3261 -0.3261 -0.1388 -0.1388 0.2735 0.2735 0.3295 0.3295 0.6750 0.6750 1.1434 1.1434 1.8748 1.8748 2.2805 2.2805 3.0372 3.0372 3.1439 3.1439 3.5684 3.5684 3.5850 3.5850 3.6697 3.6697 4.1958 4.1958 4.3329 4.3329 4.5655 4.5655 4.8778 4.8778 6.8363 6.8363 7.0612 7.0612 8.6631 8.6631 11.9061 11.9061 12.7105 12.7105 13.1505 13.1505 k = 0.3333 0.5774-0.0000 ( 6882 PWs) bands (ev): -43.9344 -43.9344 -16.9177 -16.9151 -15.9940 -15.9743 -15.8272 -15.8076 -15.7986 -15.7968 -14.6773 -14.6008 -14.0672 -13.9769 -13.0123 -13.0094 -12.2086 -12.2036 -12.1802 -12.1793 -5.7033 -5.6962 -2.5367 -2.3844 -2.1756 -2.0891 -1.2084 -1.0014 -0.0935 -0.0630 -0.0303 -0.0288 -0.0238 0.0923 0.2839 0.3033 0.6959 0.6960 1.2074 1.2149 1.4970 1.5001 2.5203 2.5763 2.7107 2.7305 3.0226 3.0238 3.4541 3.4643 3.8620 3.8668 3.9126 3.9446 4.0227 4.0246 4.2398 4.2686 4.6436 4.6515 4.9498 5.0150 6.6230 6.6283 7.3042 7.3112 8.6919 8.6965 11.6045 11.8730 12.3304 12.4202 13.2091 13.5682 k = 0.3333 0.5774 0.0155 ( 6888 PWs) bands (ev): -43.9344 -43.9344 -16.9181 -16.9155 -15.9942 -15.9739 -15.8274 -15.8079 -15.7986 -15.7961 -14.6767 -14.6002 -14.0660 -13.9757 -13.0126 -13.0097 -12.2094 -12.2043 -12.1816 -12.1807 -5.7042 -5.6971 -2.5345 -2.3851 -2.1734 -2.0838 -1.2024 -0.9943 -0.0940 -0.0627 -0.0340 -0.0298 -0.0271 0.0909 0.2828 0.3022 0.6898 0.6898 1.2096 1.2174 1.4959 1.4989 2.5219 2.5764 2.7264 2.7451 3.0065 3.0081 3.4564 3.4667 3.8522 3.8573 3.9170 3.9501 4.0352 4.0373 4.2455 4.2734 4.6303 4.6385 4.9477 5.0132 6.6180 6.6235 7.2999 7.3069 8.6863 8.6909 11.6213 11.8795 12.3511 12.4522 13.2270 13.5891 k = 0.3333 0.5774 0.0311 ( 6882 PWs) bands (ev): -43.9344 -43.9344 -16.9183 -16.9158 -15.9943 -15.9736 -15.8276 -15.8082 -15.7987 -15.7954 -14.6761 -14.5996 -14.0647 -13.9744 -13.0131 -13.0101 -12.2103 -12.2051 -12.1830 -12.1822 -5.7050 -5.6979 -2.5323 -2.3860 -2.1712 -2.0782 -1.1964 -0.9873 -0.0945 -0.0624 -0.0373 -0.0310 -0.0300 0.0892 0.2826 0.3020 0.6835 0.6836 1.2119 1.2201 1.4946 1.4975 2.5233 2.5765 2.7422 2.7600 2.9917 2.9937 3.4584 3.4688 3.8421 3.8475 3.9219 3.9560 4.0472 4.0493 4.2506 4.2776 4.6174 4.6259 4.9452 5.0110 6.6122 6.6181 7.2955 7.3025 8.6806 8.6852 11.6385 11.8861 12.3729 12.4860 13.2447 13.6102 k = 0.3333 0.5774 0.0466 ( 6888 PWs) bands (ev): -43.9344 -43.9344 -16.9185 -16.9159 -15.9945 -15.9734 -15.8276 -15.8084 -15.7987 -15.7949 -14.6754 -14.5990 -14.0632 -13.9729 -13.0137 -13.0107 -12.2113 -12.2061 -12.1846 -12.1838 -5.7057 -5.6986 -2.5302 -2.3871 -2.1689 -2.0723 -1.1907 -0.9805 -0.0948 -0.0621 -0.0400 -0.0323 -0.0323 0.0873 0.2831 0.3027 0.6771 0.6773 1.2144 1.2230 1.4931 1.4959 2.5243 2.5764 2.7580 2.7750 2.9784 2.9809 3.4602 3.4707 3.8318 3.8375 3.9270 3.9621 4.0582 4.0604 4.2550 4.2813 4.6050 4.6138 4.9421 5.0084 6.6057 6.6120 7.2910 7.2979 8.6750 8.6796 11.6559 11.8926 12.3959 12.5214 13.2620 13.6315 k = 0.3333 0.5774 0.0622 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.9184 -16.9159 -15.9945 -15.9732 -15.8276 -15.8087 -15.7988 -15.7945 -14.6748 -14.5984 -14.0617 -13.9714 -13.0144 -13.0114 -12.2125 -12.2073 -12.1863 -12.1855 -5.7063 -5.6992 -2.5281 -2.3883 -2.1665 -2.0663 -1.1852 -0.9741 -0.0949 -0.0618 -0.0422 -0.0341 -0.0339 0.0851 0.2845 0.3042 0.6706 0.6708 1.2170 1.2261 1.4915 1.4942 2.5252 2.5762 2.7738 2.7900 2.9667 2.9696 3.4616 3.4722 3.8214 3.8273 3.9324 3.9684 4.0681 4.0704 4.2589 4.2844 4.5935 4.6026 4.9387 5.0054 6.5987 6.6054 7.2865 7.2933 8.6694 8.6741 11.6733 11.8990 12.4197 12.5581 13.2788 13.6527 k = 0.3333 0.5774 0.0777 ( 6855 PWs) bands (ev): -43.9344 -43.9344 -16.9183 -16.9158 -15.9946 -15.9731 -15.8276 -15.8089 -15.7989 -15.7942 -14.6742 -14.5977 -14.0601 -13.9698 -13.0153 -13.0123 -12.2137 -12.2085 -12.1880 -12.1872 -5.7067 -5.6997 -2.5261 -2.3897 -2.1640 -2.0602 -1.1799 -0.9680 -0.0949 -0.0616 -0.0438 -0.0355 -0.0354 0.0827 0.2866 0.3065 0.6641 0.6643 1.2197 1.2293 1.4898 1.4923 2.5258 2.5759 2.7895 2.8049 2.9567 2.9600 3.4628 3.4734 3.8109 3.8171 3.9380 3.9749 4.0767 4.0791 4.2622 4.2869 4.5829 4.5925 4.9349 5.0021 6.5911 6.5982 7.2819 7.2886 8.6641 8.6688 11.6905 11.9052 12.4443 12.5958 13.2948 13.6739 k = 0.3333 0.5774 0.0933 ( 6837 PWs) bands (ev): -43.9344 -43.9344 -16.9180 -16.9155 -15.9946 -15.9730 -15.8274 -15.8091 -15.7991 -15.7940 -14.6737 -14.5971 -14.0585 -13.9682 -13.0163 -13.0132 -12.2151 -12.2099 -12.1898 -12.1890 -5.7071 -5.7000 -2.5243 -2.3913 -2.1616 -2.0540 -1.1750 -0.9624 -0.0947 -0.0615 -0.0448 -0.0371 -0.0360 0.0801 0.2894 0.3097 0.6576 0.6579 1.2225 1.2327 1.4879 1.4902 2.5263 2.5755 2.8047 2.8195 2.9485 2.9523 3.4636 3.4744 3.8005 3.8068 3.9438 3.9816 4.0837 4.0863 4.2648 4.2888 4.5736 4.5836 4.9307 4.9985 6.5830 6.5906 7.2775 7.2840 8.6590 8.6637 11.7072 11.9112 12.4693 12.6342 13.3100 13.6947 k = 0.3333 0.5774 0.1088 ( 6843 PWs) bands (ev): -43.9344 -43.9344 -16.9176 -16.9151 -15.9946 -15.9731 -15.8273 -15.8093 -15.7994 -15.7939 -14.6731 -14.5965 -14.0568 -13.9665 -13.0174 -13.0143 -12.2166 -12.2114 -12.1916 -12.1908 -5.7073 -5.7002 -2.5226 -2.3929 -2.1591 -2.0478 -1.1705 -0.9573 -0.0943 -0.0617 -0.0452 -0.0387 -0.0362 0.0773 0.2930 0.3135 0.6512 0.6514 1.2254 1.2361 1.4858 1.4879 2.5265 2.5750 2.8194 2.8336 2.9422 2.9464 3.4641 3.4750 3.7903 3.7967 3.9495 3.9882 4.0889 4.0916 4.2667 4.2901 4.5658 4.5761 4.9261 4.9945 6.5746 6.5827 7.2730 7.2794 8.6541 8.6588 11.7232 11.9169 12.4947 12.6729 13.3240 13.7151 k = 0.3333 0.5774 0.1244 ( 6843 PWs) bands (ev): -43.9344 -43.9344 -16.9170 -16.9146 -15.9945 -15.9732 -15.8271 -15.8095 -15.7996 -15.7940 -14.6726 -14.5959 -14.0552 -13.9648 -13.0186 -13.0155 -12.2182 -12.2129 -12.1935 -12.1927 -5.7074 -5.7003 -2.5211 -2.3947 -2.1567 -2.0417 -1.1664 -0.9528 -0.0937 -0.0622 -0.0449 -0.0401 -0.0357 0.0744 0.2971 0.3180 0.6449 0.6451 1.2284 1.2397 1.4836 1.4855 2.5266 2.5744 2.8335 2.8471 2.9378 2.9424 3.4644 3.4753 3.7803 3.7869 3.9554 3.9949 4.0922 4.0950 4.2679 4.2908 4.5596 4.5704 4.9213 4.9903 6.5659 6.5745 7.2688 7.2748 8.6496 8.6543 11.7385 11.9222 12.5200 12.7115 13.3369 13.7347 k = 0.3333 0.5774 0.1399 ( 6834 PWs) bands (ev): -43.9344 -43.9344 -16.9164 -16.9139 -15.9945 -15.9735 -15.8268 -15.8097 -15.7999 -15.7942 -14.6722 -14.5954 -14.0535 -13.9632 -13.0199 -13.0168 -12.2198 -12.2145 -12.1953 -12.1945 -5.7074 -5.7003 -2.5198 -2.3966 -2.1543 -2.0358 -1.1628 -0.9489 -0.0929 -0.0632 -0.0440 -0.0412 -0.0347 0.0713 0.3018 0.3232 0.6389 0.6389 1.2314 1.2433 1.4813 1.4831 2.5265 2.5737 2.8467 2.8597 2.9354 2.9405 3.4643 3.4753 3.7708 3.7775 3.9611 4.0015 4.0935 4.0964 4.2685 4.2908 4.5553 4.5664 4.9162 4.9859 6.5571 6.5661 7.2646 7.2705 8.6454 8.6501 11.7529 11.9270 12.5450 12.7496 13.3483 13.7535 k = 0.3333 0.5774 0.1555 ( 6840 PWs) bands (ev): -43.9344 -43.9344 -16.9156 -16.9131 -15.9944 -15.9738 -15.8265 -15.8098 -15.8003 -15.7945 -14.6717 -14.5949 -14.0518 -13.9615 -13.0213 -13.0182 -12.2214 -12.2162 -12.1971 -12.1963 -5.7072 -5.7002 -2.5187 -2.3985 -2.1519 -2.0301 -1.1597 -0.9457 -0.0920 -0.0646 -0.0424 -0.0419 -0.0331 0.0682 0.3070 0.3289 0.6330 0.6330 1.2345 1.2469 1.4790 1.4805 2.5262 2.5729 2.8589 2.8713 2.9351 2.9405 3.4639 3.4750 3.7618 3.7685 3.9668 4.0079 4.0926 4.0956 4.2683 4.2903 4.5529 4.5643 4.9109 4.9813 6.5481 6.5576 7.2607 7.2663 8.6417 8.6464 11.7662 11.9314 12.5693 12.7867 13.3581 13.7712 k = 0.3333 0.5774 0.1710 ( 6834 PWs) bands (ev): -43.9344 -43.9344 -16.9148 -16.9122 -15.9942 -15.9741 -15.8260 -15.8100 -15.8007 -15.7948 -14.6714 -14.5944 -14.0502 -13.9599 -13.0227 -13.0196 -12.2231 -12.2179 -12.1989 -12.1981 -5.7069 -5.6999 -2.5178 -2.4005 -2.1497 -2.0247 -1.1572 -0.9432 -0.0908 -0.0666 -0.0421 -0.0402 -0.0310 0.0650 0.3127 0.3350 0.6273 0.6275 1.2376 1.2506 1.4766 1.4778 2.5258 2.5720 2.8698 2.8816 2.9369 2.9425 3.4632 3.4744 3.7536 3.7603 3.9723 4.0142 4.0896 4.0927 4.2675 4.2892 4.5524 4.5641 4.9055 4.9766 6.5391 6.5491 7.2570 7.2623 8.6384 8.6431 11.7783 11.9352 12.5925 12.8224 13.3663 13.7874 k = 0.3333 0.5774 0.1866 ( 6849 PWs) bands (ev): -43.9344 -43.9344 -16.9138 -16.9112 -15.9941 -15.9746 -15.8256 -15.8101 -15.8012 -15.7953 -14.6711 -14.5939 -14.0486 -13.9583 -13.0242 -13.0211 -12.2248 -12.2196 -12.2006 -12.1998 -5.7065 -5.6995 -2.5171 -2.4025 -2.1476 -2.0196 -1.1552 -0.9414 -0.0896 -0.0690 -0.0421 -0.0374 -0.0283 0.0618 0.3188 0.3416 0.6220 0.6223 1.2406 1.2543 1.4741 1.4752 2.5253 2.5711 2.8793 2.8905 2.9406 2.9466 3.4621 3.4734 3.7462 3.7529 3.9777 4.0202 4.0846 4.0878 4.2659 4.2875 4.5538 4.5657 4.9000 4.9718 6.5302 6.5407 7.2535 7.2586 8.6356 8.6403 11.7891 11.9384 12.6144 12.8561 13.3726 13.8018 k = 0.3333 0.5774 0.2021 ( 6849 PWs) bands (ev): -43.9344 -43.9344 -16.9127 -16.9101 -15.9940 -15.9751 -15.8251 -15.8102 -15.8016 -15.7960 -14.6708 -14.5935 -14.0471 -13.9568 -13.0257 -13.0226 -12.2265 -12.2214 -12.2023 -12.2014 -5.7060 -5.6989 -2.5166 -2.4045 -2.1457 -2.0149 -1.1539 -0.9403 -0.0882 -0.0717 -0.0417 -0.0339 -0.0251 0.0587 0.3251 0.3486 0.6171 0.6176 1.2437 1.2579 1.4717 1.4725 2.5246 2.5701 2.8872 2.8978 2.9463 2.9526 3.4608 3.4721 3.7399 3.7466 3.9828 4.0259 4.0779 4.0810 4.2636 4.2852 4.5570 4.5690 4.8945 4.9670 6.5215 6.5324 7.2504 7.2552 8.6333 8.6380 11.7986 11.9411 12.6344 12.8873 13.3770 13.8142 k = 0.3333 0.5774 0.2176 ( 6843 PWs) bands (ev): -43.9344 -43.9344 -16.9116 -16.9090 -15.9937 -15.9756 -15.8246 -15.8103 -15.8020 -15.7966 -14.6706 -14.5932 -14.0457 -13.9554 -13.0272 -13.0242 -12.2282 -12.2230 -12.2038 -12.2029 -5.7054 -5.6983 -2.5163 -2.4064 -2.1440 -2.0107 -1.1531 -0.9400 -0.0868 -0.0747 -0.0411 -0.0300 -0.0214 0.0556 0.3318 0.3558 0.6127 0.6135 1.2466 1.2614 1.4693 1.4699 2.5238 2.5690 2.8934 2.9034 2.9541 2.9606 3.4592 3.4705 3.7348 3.7414 3.9876 4.0313 4.0694 4.0726 4.2605 4.2823 4.5617 4.5739 4.8889 4.9622 6.5131 6.5244 7.2476 7.2521 8.6316 8.6363 11.8067 11.9432 12.6522 12.9154 13.3793 13.8241 k = 0.3333 0.5774 0.2332 ( 6849 PWs) bands (ev): -43.9344 -43.9344 -16.9104 -16.9077 -15.9935 -15.9763 -15.8241 -15.8103 -15.8025 -15.7975 -14.6705 -14.5928 -14.0444 -13.9541 -13.0287 -13.0257 -12.2298 -12.2247 -12.2052 -12.2044 -5.7046 -5.6975 -2.5162 -2.4084 -2.1425 -2.0069 -1.1530 -0.9404 -0.0854 -0.0777 -0.0404 -0.0255 -0.0172 0.0527 0.3387 0.3633 0.6089 0.6098 1.2495 1.2649 1.4670 1.4673 2.5228 2.5679 2.8976 2.9070 2.9636 2.9704 3.4572 3.4686 3.7310 3.7375 3.9921 4.0363 4.0596 4.0628 4.2567 4.2787 4.5679 4.5801 4.8835 4.9574 6.5050 6.5167 7.2451 7.2493 8.6304 8.6351 11.8134 11.9446 12.6674 12.9399 13.3796 13.8313 k = 0.3333 0.5774 0.2487 ( 6843 PWs) bands (ev): -43.9344 -43.9344 -16.9092 -16.9064 -15.9933 -15.9769 -15.8235 -15.8103 -15.8030 -15.7983 -14.6704 -14.5926 -14.0432 -13.9528 -13.0302 -13.0272 -12.2314 -12.2263 -12.2065 -12.2056 -5.7038 -5.6967 -2.5163 -2.4102 -2.1413 -2.0037 -1.1535 -0.9416 -0.0839 -0.0809 -0.0396 -0.0206 -0.0126 0.0499 0.3457 0.3709 0.6057 0.6069 1.2523 1.2682 1.4647 1.4649 2.5218 2.5667 2.8998 2.9085 2.9750 2.9819 3.4549 3.4664 3.7287 3.7350 3.9962 4.0408 4.0486 4.0518 4.2522 4.2746 4.5754 4.5876 4.8782 4.9528 6.4973 6.5093 7.2431 7.2469 8.6298 8.6345 11.8186 11.9454 12.6797 12.9604 13.3777 13.8352 k = 0.3333 0.5774 0.2643 ( 6840 PWs) bands (ev): -43.9344 -43.9344 -16.9079 -16.9051 -15.9930 -15.9776 -15.8229 -15.8103 -15.8035 -15.7993 -14.6704 -14.5924 -14.0421 -13.9518 -13.0317 -13.0287 -12.2329 -12.2278 -12.2077 -12.2068 -5.7029 -5.6958 -2.5165 -2.4120 -2.1404 -2.0011 -1.1546 -0.9436 -0.0840 -0.0825 -0.0388 -0.0153 -0.0077 0.0473 0.3528 0.3786 0.6031 0.6046 1.2549 1.2713 1.4626 1.4626 2.5207 2.5654 2.8998 2.9079 2.9881 2.9951 3.4524 3.4639 3.7279 3.7341 4.0000 4.0367 4.0399 4.0449 4.2469 4.2698 4.5838 4.5960 4.8731 4.9483 6.4902 6.5025 7.2414 7.2450 8.6298 8.6345 11.8224 11.9456 12.6888 12.9762 13.3738 13.8358 k = 0.3333 0.5774 0.2798 ( 6855 PWs) bands (ev): -43.9344 -43.9344 -16.9066 -16.9037 -15.9928 -15.9784 -15.8223 -15.8103 -15.8040 -15.8003 -14.6705 -14.5923 -14.0411 -13.9508 -13.0331 -13.0301 -12.2343 -12.2293 -12.2087 -12.2078 -5.7019 -5.6947 -2.5169 -2.4137 -2.1398 -1.9990 -1.1563 -0.9462 -0.0871 -0.0812 -0.0379 -0.0098 -0.0024 0.0449 0.3598 0.3863 0.6013 0.6031 1.2573 1.2743 1.4605 1.4607 2.5194 2.5641 2.8976 2.9051 3.0027 3.0099 3.4495 3.4611 3.7288 3.7347 4.0033 4.0241 4.0273 4.0484 4.2409 4.2644 4.5930 4.6053 4.8683 4.9441 6.4835 6.4961 7.2402 7.2434 8.6303 8.6350 11.8248 11.9452 12.6944 12.9872 13.3677 13.8329 k = 0.3333 0.5774 0.2954 ( 6855 PWs) bands (ev): -43.9344 -43.9344 -16.9052 -16.9023 -15.9925 -15.9792 -15.8216 -15.8102 -15.8045 -15.8013 -14.6706 -14.5922 -14.0403 -13.9500 -13.0344 -13.0315 -12.2355 -12.2306 -12.2096 -12.2086 -5.7008 -5.6936 -2.5175 -2.4153 -2.1395 -1.9976 -1.1587 -0.9496 -0.0900 -0.0799 -0.0371 -0.0041 0.0030 0.0428 0.3669 0.3940 0.6004 0.6024 1.2595 1.2769 1.4585 1.4589 2.5180 2.5628 2.8931 2.9002 3.0187 3.0260 3.4463 3.4580 3.7312 3.7370 4.0062 4.0111 4.0143 4.0514 4.2343 4.2584 4.6030 4.6152 4.8638 4.9401 6.4775 6.4904 7.2394 7.2423 8.6315 8.6361 11.8258 11.9442 12.6964 12.9930 13.3597 13.8263 k = 0.3333 0.5774 0.3109 ( 6861 PWs) bands (ev): -43.9344 -43.9344 -16.9039 -16.9009 -15.9922 -15.9800 -15.8210 -15.8101 -15.8050 -15.8025 -14.6708 -14.5922 -14.0397 -13.9494 -13.0357 -13.0328 -12.2367 -12.2318 -12.2103 -12.2093 -5.6996 -5.6925 -2.5182 -2.4168 -2.1395 -1.9968 -1.1616 -0.9536 -0.0927 -0.0787 -0.0363 0.0018 0.0086 0.0410 0.3739 0.4015 0.6002 0.6025 1.2614 1.2793 1.4569 1.4574 2.5165 2.5614 2.8865 2.8931 3.0361 3.0435 3.4429 3.4546 3.7351 3.7408 3.9978 4.0009 4.0086 4.0538 4.2269 4.2519 4.6134 4.6256 4.8596 4.9365 6.4722 6.4852 7.2391 7.2417 8.6332 8.6378 11.8253 11.9426 12.6947 12.9936 13.3499 13.8163 k = 0.3333 0.5774 0.3265 ( 6855 PWs) bands (ev): -43.9344 -43.9344 -16.9026 -16.8995 -15.9919 -15.9808 -15.8204 -15.8100 -15.8054 -15.8036 -14.6711 -14.5923 -14.0392 -13.9489 -13.0369 -13.0341 -12.2378 -12.2329 -12.2108 -12.2098 -5.6984 -5.6913 -2.5190 -2.4181 -2.1400 -1.9967 -1.1650 -0.9583 -0.0953 -0.0776 -0.0355 0.0078 0.0142 0.0395 0.3807 0.4089 0.6009 0.6035 1.2631 1.2814 1.4554 1.4561 2.5149 2.5600 2.8778 2.8840 3.0546 3.0621 3.4393 3.4510 3.7406 3.7461 3.9844 3.9876 4.0106 4.0555 4.2190 4.2449 4.6242 4.6363 4.8558 4.9332 6.4675 6.4808 7.2392 7.2416 8.6354 8.6400 11.8235 11.9405 12.6894 12.9888 13.3382 13.8030 k = 0.3333 0.5774 0.3420 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -16.9013 -16.8981 -15.9916 -15.9816 -15.8197 -15.8098 -15.8058 -15.8048 -14.6714 -14.5924 -14.0389 -13.9486 -13.0380 -13.0352 -12.2387 -12.2339 -12.2111 -12.2101 -5.6972 -5.6900 -2.5199 -2.4193 -2.1407 -1.9971 -1.1690 -0.9634 -0.0976 -0.0766 -0.0348 0.0136 0.0196 0.0385 0.3873 0.4161 0.6026 0.6055 1.2645 1.2831 1.4543 1.4551 2.5133 2.5586 2.8672 2.8731 3.0741 3.0816 3.4355 3.4472 3.7474 3.7528 3.9711 3.9742 4.0121 4.0565 4.2104 4.2374 4.6353 4.6474 4.8525 4.9304 6.4637 6.4770 7.2398 7.2419 8.6382 8.6427 11.8203 11.9378 12.6806 12.9789 13.3250 13.7869 k = 0.3333 0.5774 0.3576 ( 6849 PWs) bands (ev): -43.9344 -43.9344 -16.9000 -16.8968 -15.9912 -15.9824 -15.8191 -15.8096 -15.8062 -15.8059 -14.6718 -14.5926 -14.0388 -13.9485 -13.0389 -13.0362 -12.2394 -12.2347 -12.2112 -12.2102 -5.6960 -5.6888 -2.5209 -2.4203 -2.1418 -1.9982 -1.1734 -0.9691 -0.0996 -0.0758 -0.0341 0.0194 0.0246 0.0381 0.3937 0.4230 0.6051 0.6083 1.2655 1.2844 1.4534 1.4543 2.5115 2.5571 2.8548 2.8605 3.0944 3.1019 3.4315 3.4432 3.7554 3.7607 3.9580 3.9611 4.0130 4.0569 4.2013 4.2296 4.6464 4.6585 4.8497 4.9279 6.4606 6.4741 7.2409 7.2427 8.6414 8.6459 11.8158 11.9347 12.6684 12.9641 13.3104 13.7681 k = 0.3333 0.5774 0.3731 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.8988 -16.8955 -15.9910 -15.9832 -15.8186 -15.8095 -15.8071 -15.8066 -14.6722 -14.5928 -14.0388 -13.9485 -13.0398 -13.0371 -12.2400 -12.2354 -12.2112 -12.2101 -5.6947 -5.6875 -2.5220 -2.4211 -2.1432 -2.0000 -1.1782 -0.9752 -0.1014 -0.0750 -0.0335 0.0250 0.0288 0.0387 0.3998 0.4296 0.6085 0.6119 1.2661 1.2853 1.4528 1.4538 2.5097 2.5557 2.8409 2.8465 3.1153 3.1228 3.4273 3.4391 3.7645 3.7697 3.9452 3.9483 4.0135 4.0564 4.1917 4.2215 4.6577 4.6697 4.8474 4.9259 6.4584 6.4719 7.2425 7.2440 8.6451 8.6495 11.8101 11.9311 12.6532 12.9447 13.2945 13.7472 k = 0.3333 0.5774 0.3887 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.8977 -16.8943 -15.9907 -15.9840 -15.8180 -15.8093 -15.8083 -15.8069 -14.6727 -14.5931 -14.0390 -13.9488 -13.0405 -13.0378 -12.2404 -12.2358 -12.2109 -12.2098 -5.6935 -5.6863 -2.5232 -2.4218 -2.1450 -2.0023 -1.1834 -0.9817 -0.1028 -0.0743 -0.0330 0.0303 0.0314 0.0409 0.4055 0.4358 0.6128 0.6164 1.2664 1.2857 1.4525 1.4536 2.5078 2.5543 2.8255 2.8312 3.1366 3.1441 3.4231 3.4348 3.7745 3.7797 3.9329 3.9360 4.0134 4.0552 4.1817 4.2132 4.6688 4.6808 4.8457 4.9245 6.4571 6.4705 7.2444 7.2458 8.6492 8.6536 11.8030 11.9270 12.6352 12.9212 13.2776 13.7247 k = 0.3333 0.5774 0.4042 ( 6852 PWs) bands (ev): -43.9344 -43.9344 -16.8966 -16.8932 -15.9903 -15.9848 -15.8175 -15.8094 -15.8090 -15.8071 -14.6732 -14.5935 -14.0394 -13.9491 -13.0411 -13.0384 -12.2407 -12.2362 -12.2105 -12.2094 -5.6922 -5.6850 -2.5244 -2.4223 -2.1470 -2.0052 -1.1889 -0.9885 -0.1039 -0.0738 -0.0325 0.0328 0.0353 0.0443 0.4109 0.4416 0.6179 0.6218 1.2662 1.2857 1.4525 1.4536 2.5058 2.5530 2.8091 2.8150 3.1582 3.1657 3.4187 3.4305 3.7851 3.7904 3.9210 3.9241 4.0128 4.0531 4.1713 4.2048 4.6799 4.6918 4.8445 4.9235 6.4566 6.4699 7.2469 7.2481 8.6536 8.6580 11.7948 11.9226 12.6149 12.8940 13.2599 13.7009 k = 0.3333 0.5774 0.4197 ( 6858 PWs) bands (ev): -43.9344 -43.9344 -16.8957 -16.8921 -15.9901 -15.9855 -15.8170 -15.8105 -15.8088 -15.8074 -14.6737 -14.5939 -14.0399 -13.9497 -13.0415 -13.0389 -12.2408 -12.2363 -12.2099 -12.2087 -5.6910 -5.6838 -2.5257 -2.4226 -2.1493 -2.0086 -1.1947 -0.9956 -0.1047 -0.0733 -0.0321 0.0338 0.0400 0.0482 0.4158 0.4469 0.6237 0.6278 1.2656 1.2851 1.4528 1.4540 2.5038 2.5517 2.7919 2.7981 3.1797 3.1872 3.4144 3.4262 3.7963 3.8016 3.9098 3.9129 4.0116 4.0503 4.1608 4.1964 4.6908 4.7026 4.8440 4.9230 6.4570 6.4702 7.2497 7.2508 8.6584 8.6628 11.7854 11.9178 12.5926 12.8638 13.2415 13.6761 k = 0.3333 0.5774 0.4353 ( 6864 PWs) bands (ev): -43.9344 -43.9344 -16.8948 -16.8912 -15.9898 -15.9862 -15.8166 -15.8116 -15.8085 -15.8076 -14.6743 -14.5944 -14.0406 -13.9504 -13.0418 -13.0392 -12.2407 -12.2363 -12.2091 -12.2079 -5.6898 -5.6826 -2.5271 -2.4227 -2.1518 -2.0125 -1.2006 -1.0028 -0.1051 -0.0730 -0.0318 0.0347 0.0442 0.0520 0.4203 0.4516 0.6303 0.6345 1.2646 1.2841 1.4534 1.4546 2.5017 2.5505 2.7740 2.7808 3.2011 3.2085 3.4101 3.4219 3.8079 3.8132 3.8992 3.9023 4.0099 4.0465 4.1502 4.1882 4.7014 4.7132 4.8440 4.9231 6.4582 6.4713 7.2530 7.2539 8.6634 8.6678 11.7748 11.9127 12.5687 12.8310 13.2228 13.6509 k = 0.3333 0.5774 0.4508 ( 6876 PWs) bands (ev): -43.9344 -43.9344 -16.8940 -16.8903 -15.9896 -15.9869 -15.8162 -15.8126 -15.8083 -15.8078 -14.6749 -14.5949 -14.0415 -13.9513 -13.0419 -13.0394 -12.2405 -12.2361 -12.2081 -12.2069 -5.6887 -5.6815 -2.5285 -2.4226 -2.1545 -2.0169 -1.2067 -1.0101 -0.1052 -0.0727 -0.0316 0.0357 0.0480 0.0556 0.4242 0.4558 0.6373 0.6417 1.2631 1.2825 1.4543 1.4554 2.4995 2.5494 2.7558 2.7633 3.2220 3.2294 3.4060 3.4177 3.8196 3.8250 3.8892 3.8923 4.0077 4.0419 4.1396 4.1803 4.7118 4.7234 4.8446 4.9237 6.4604 6.4732 7.2566 7.2574 8.6687 8.6730 11.7633 11.9074 12.5438 12.7962 13.2039 13.6254 k = 0.3333 0.5774 0.4664 ( 6870 PWs) bands (ev): -43.9344 -43.9344 -16.8934 -16.8896 -15.9894 -15.9875 -15.8159 -15.8134 -15.8080 -15.8078 -14.6755 -14.5954 -14.0425 -13.9523 -13.0419 -13.0394 -12.2400 -12.2357 -12.2070 -12.2058 -5.6877 -5.6804 -2.5300 -2.4224 -2.1573 -2.0216 -1.2129 -1.0173 -0.1049 -0.0724 -0.0314 0.0370 0.0515 0.0588 0.4275 0.4594 0.6449 0.6493 1.2613 1.2805 1.4554 1.4565 2.4974 2.5484 2.7374 2.7458 3.2423 3.2496 3.4020 3.4137 3.8314 3.8369 3.8800 3.8831 4.0049 4.0365 4.1292 4.1728 4.7217 4.7333 4.8459 4.9248 6.4633 6.4759 7.2605 7.2613 8.6741 8.6785 11.7507 11.9018 12.5180 12.7598 13.1850 13.6001 k = 0.3333 0.5774 0.4819 ( 6888 PWs) bands (ev): -43.9344 -43.9344 -16.8929 -16.8891 -15.9892 -15.9880 -15.8156 -15.8143 -15.8079 -15.8078 -14.6762 -14.5960 -14.0436 -13.9534 -13.0417 -13.0393 -12.2394 -12.2351 -12.2058 -12.2045 -5.6867 -5.6794 -2.5315 -2.4219 -2.1603 -2.0267 -1.2190 -1.0246 -0.1044 -0.0723 -0.0313 0.0385 0.0544 0.0615 0.4303 0.4623 0.6528 0.6573 1.2590 1.2780 1.4568 1.4578 2.4952 2.5476 2.7192 2.7287 3.2617 3.2689 3.3982 3.4098 3.8430 3.8486 3.8716 3.8747 4.0015 4.0302 4.1192 4.1658 4.7313 4.7428 4.8477 4.9265 6.4671 6.4794 7.2647 7.2654 8.6797 8.6840 11.7372 11.8961 12.4919 12.7223 13.1663 13.5751 Writing output data file NaNiIO6.save init_run : 1.25s CPU 0.73s WALL ( 1 calls) electrons : 420.03s CPU 311.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 420.02s CPU 311.03s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.22s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.39s CPU 0.51s WALL ( 306 calls) cegterg : 361.47s CPU 276.70s WALL ( 306 calls) Called by sum_band: Called by *egterg: h_psi : 253.29s CPU 160.06s WALL ( 5790 calls) s_psi : 12.99s CPU 9.30s WALL ( 5790 calls) g_psi : 0.61s CPU 0.50s WALL ( 5178 calls) cdiaghg : 98.53s CPU 93.72s WALL ( 5484 calls) cegterg:over : 17.26s CPU 15.49s WALL ( 5178 calls) cegterg:upda : 15.36s CPU 13.81s WALL ( 5178 calls) cegterg:last : 6.22s CPU 6.18s WALL ( 918 calls) cdiaghg:chol : 5.64s CPU 5.47s WALL ( 5484 calls) cdiaghg:inve : 3.88s CPU 3.89s WALL ( 5484 calls) cdiaghg:para : 6.98s CPU 7.00s WALL ( 10968 calls) Called by h_psi: h_psi:vloc : 224.09s CPU 138.47s WALL ( 5790 calls) h_psi:vnl : 28.60s CPU 21.11s WALL ( 5790 calls) add_vuspsi : 15.04s CPU 10.85s WALL ( 5790 calls) General routines calbec : 13.51s CPU 10.24s WALL ( 5790 calls) fft : 0.10s CPU 0.05s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 213.85s CPU 130.72s WALL ( 954040 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.46s CPU 1.86s WALL ( 612 calls) Parallel routines fft_scatter : 72.36s CPU 52.03s WALL ( 954063 calls) PWSCF : 7m29.54s CPU 5m55.29s WALL This run was terminated on: 4: 7:54 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=